data_r4ct6sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4ct6 
_cell.length_a      153.6700 
_cell.length_b      66.1420 
_cell.length_c      72.4360 
_cell.angle_alpha   90.0000 
_cell.angle_beta    100.3490 
_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   1.00002 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.099 
_diffrn_reflns.pdbx_d_res_low    47.895 
_diffrn_reflns.limit_h_max       71 
_diffrn_reflns.limit_h_min       -73 
_diffrn_reflns.limit_k_max       31 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       34 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            41743 
_diffrn_reflns.pdbx_number_obs   41743 
# 
_entry.id   4ct6 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ct6 
_symmetry.space_group_name_H-M   'C 1 2 1' 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 'X+1/2,  Y+1/2,  Z'   
4 '-X+1/2,  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  -73    1    6 o   2.5240   0.9967   2.5240   0.9967  ?   ?       ?      ? 
1 1 1  -72    0    1 o   1.5100   0.9367   1.5100   0.9367   1.5100   0.9367 -0.000000 0.000000 
1 1 1  -72    0    2 o   2.4050   1.1960   2.4050   1.1960   2.4050   1.1960 -0.000000 0.000000 
1 1 1  -72    0    3 o   0.9693   0.6674   0.9693   0.6674   0.9693   0.6674 -0.000000 0.000000 
1 1 1  -72    0    4 o   1.7110   0.8761   1.7110   0.8761   1.7110   0.8761 -0.000000 0.000000 
1 1 1  -72    0    5 o   1.3430   0.7986   1.3430   0.7986   1.3430   0.7986 -0.000000 0.000000 
1 1 1  -72    0    6 o   1.0070   0.7010   1.0070   0.7010   1.0070   0.7010 -0.000000 0.000000 
1 1 1  -72    2    1 o   2.0200   0.6078   1.6600   0.8003   2.3790   0.9150 -0.7185000 1.216000 
1 1 1  -72    2    2 o   1.7480   0.5400   1.7630   0.7779   1.7320   0.7491 0.3081000E-01 1.080000 
1 1 1  -72    2    3 o   5.0550   0.3314   4.9760   0.4200   5.1340   0.5126 -0.1584000 0.6627000 
1 1 1  -72    2    4 o   3.3930   0.4932   2.9310   0.7963   3.8550   0.5822 -0.9247000 0.9864000 
1 1 1  -72    2    5 o   2.0160   0.5970   1.8720   0.8273   2.1590   0.8608 -0.2866000 1.194000 
1 1 1  -72    2    6 o   1.9880   0.5831   2.0640   0.8522   1.9120   0.7960 0.1523000 1.166000 
1 1 1  -72    2    7 o   2.1750   0.6086   2.2760   0.8492   2.0740   0.8721 0.2015000 1.217000 
1 1 1  -72    2    8 o   2.2820   0.5761   2.2240   0.9014   2.3390   0.7175 -0.1147000 1.152000 
1 1 1  -72    2    9 o   1.6770   0.5161   1.8700   0.7894   1.4840   0.6650 0.3854000 1.032000 
1 1 1  -72    2   10 o   1.2230   0.5827   1.2230   0.5827  ?   ?       ?      ? 
1 1 1  -72    4    2 o   2.1180   1.0170  ?   ?    2.1180   1.0170      ?      ? 
1 1 1  -72    4    3 o   1.9210   0.5437   2.3940   0.8664   1.4470   0.6571 0.9462000 1.087000 
1 1 1  -72    4    4 o   2.1120   0.6166   2.1400   0.9957   2.0840   0.7277 0.5518000E-01 1.233000 
1 1 1  -72    4    5 o   2.1950   0.6865   2.5970   1.1030   1.7940   0.8178 0.8026000 1.373000 
1 1 1  -72    4    6 o   2.6190   0.7682   2.5760   1.0880   2.6630   1.0850 -0.8683000E-01 1.536000 
1 1 1  -72    4    7 o   3.0450   0.7334   3.0650   1.1470   3.0260   0.9136 0.3920000E-01 1.467000 
1 1 1  -72    4    8 o   2.4340   0.6641   2.1080   0.9703   2.7600   0.9069 -0.6518000 1.328000 
1 1 1  -72    4    9 o   1.8830   0.6053   1.9990   0.9242   1.7680   0.7820 0.2307000 1.211000 
1 1 1  -71    1    1 o   3.6920   0.6082   3.3060   1.0500   4.0780   0.6140 -0.7719000 1.216000 
1 1 1  -71    1    2 o   1.6530   0.5135   1.8400   0.7577   1.4660   0.6935 0.3738000 1.027000 
1 1 1  -71    1    3 o   3.0080   0.5210   2.4780   0.8352   3.5390   0.6231 -1.061000 1.042000 
1 1 1  -71    1    4 o   2.1640   0.5235   1.8540   0.7521   2.4740   0.7284 -0.6204000 1.047000 
1 1 1  -71    1    5 o   1.8040   0.5145   1.7140   0.6607   1.8950   0.7890 -0.1808000 1.029000 
1 1 1  -71    1    6 o   1.7150   0.5332   1.8460   0.7693   1.5830   0.7387 0.2631000 1.066000 
1 1 1  -71    1    7 o   1.5000   0.6710  ?   ?    1.5000   0.6710      ?      ? 
1 1 1  -71    3    1 o   1.7780   0.5520   1.3910   0.6765   2.1650   0.8725 -0.7742000 1.104000 
1 1 1  -71    3    2 o   1.6870   0.5280   1.6640   0.7558   1.7090   0.7375 -0.4484000E-01 1.056000 
1 1 1  -71    3    3 o   3.1830   0.5210   3.5990   0.7195   2.7660   0.7537 0.8325000 1.042000 
1 1 1  -71    3    4 o   1.8130   0.5484   1.8900   0.6994   1.7370   0.8449 0.1530000 1.097000 
1 1 1  -71    3    5 o   2.2580   0.7042   1.9060   0.9067   2.6100   1.0780 -0.7039000 1.408000 
1 1 1  -71    3    6 o   2.0570   0.6486   2.3640   1.0370   1.7510   0.7798 0.6127000 1.297000 
1 1 1  -71    3    7 o   2.0840   0.6330   2.7330   1.0670   1.4350   0.6819 1.298000 1.266000 
1 1 1  -71    3    8 o   2.1290   0.6441   2.6770   1.0710   1.5820   0.7158 1.095000 1.288000 
1 1 1  -71    3    9 o   2.0110   0.6018   2.3760   0.9690   1.6470   0.7139 0.7295000 1.204000 
1 1 1  -71    3   10 o   2.5350   0.6681   2.4220   0.9660   2.6470   0.9234 -0.2250000 1.336000 
1 1 1  -71    3   11 o   3.8080   0.7681  ?   ?    3.8080   0.7681      ?      ? 
1 1 1  -71    3   12 o   7.4990   0.4098  ?   ?    7.4990   0.4098      ?      ? 
1 1 1  -71    3   13 o   1.9360   0.8320  ?   ?    1.9360   0.8320      ?      ? 
1 1 1  -71    5    1 o   1.7370   0.5612   1.8130   0.8332   1.6610   0.7519 0.1516000 1.122000 
1 1 1  -71    5    2 o   2.4650   0.5528   1.7180   0.7859   3.2110   0.7776 -1.493000 1.106000 
1 1 1  -71    5    3 f   1.6890   0.5224   1.9500   0.8161   1.4280   0.6523 0.5219000 1.045000 
1 1 1  -71    5    4 o   1.9990   0.6014   2.0530   0.9701   1.9440   0.7111 0.1094000 1.203000 
1 1 1  -71    5    5 o   1.8550   0.6197   1.9260   0.9232   1.7850   0.8269 0.1413000 1.239000 
1 1 1  -71    5    6 o   1.9130   0.6326   2.0450   0.9609   1.7800   0.8230 0.2642000 1.265000 
1 1 1  -71    5    7 f   2.3210   0.6921   2.2410   1.0160   2.4010   0.9403 -0.1604000 1.384000 
1 1 1  -71    5    8 o   2.3590   0.7334   2.7100   1.1250   2.0080   0.9407 0.7029000 1.467000 
1 1 1  -71    5    9 o   1.9720   0.6544   2.0640   0.9688   1.8800   0.8799 0.1836000 1.309000 
1 1 1  -71    5   10 o   2.4600   0.6975   2.4420   1.0540   2.4780   0.9142 -0.3626000E-01 1.395000 
1 1 1  -71    5   11 o   3.2060   0.7586   3.4670   1.1740   2.9450   0.9612 0.5227000 1.517000 
1 1 1  -71    7    3 o   2.4250   1.1380   2.4250   1.1380  ?   ?       ?      ? 
1 1 1  -71    7    4 o   1.8030   0.5955   2.0090   0.9731   1.5970   0.6867 0.4122000 1.191000 
1 1 1  -71    7    5 o   2.2950   0.7231   2.1850   1.0290   2.4060   1.0160 -0.2216000 1.446000 
1 1 1  -71    7    6 f   3.1580   0.7963   2.8860   1.1920   3.4310   1.0560 -0.5446000 1.593000 
1 1 1  -71    7    7 o   2.1890   0.6976   2.2360   1.0360   2.1430   0.9342 0.9215000E-01 1.395000 
1 1 1  -71    7    8 f   1.6910   0.8132  ?   ?    1.6910   0.8132      ?      ? 
1 1 1  -70    0    1 o   1.5200   0.9342   1.5200   0.9342   1.5200   0.9342 -0.000000 0.000000 
1 1 1  -70    0    2 o   6.0200   0.6205   6.0200   0.6205   6.0200   0.6205 -0.000000 0.000000 
1 1 1  -70    0    3 o   1.4060   0.8400   1.4060   0.8400   1.4060   0.8400 -0.000000 0.000000 
1 1 1  -70    0    4 o   1.9180   0.8876   1.9180   0.8876   1.9180   0.8876 -0.000000 0.000000 
1 1 1  -70    0    5 o   2.9600   0.7283   2.9600   0.7283   2.9600   0.7283 -0.000000 0.000000 
1 1 1  -70    0    6 o   1.2380   0.7466   1.2380   0.7466   1.2380   0.7466 -0.000000 0.000000 
1 1 1  -70    2    1 o   1.8870   0.6027   1.9600   0.8960   1.8140   0.8064 0.1458000 1.205000 
1 1 1  -70    2    2 o   2.5620   0.5552   3.4090   0.8263   1.7140   0.7418 1.695000 1.110000 
1 1 1  -70    2    3 o   1.8520   0.5453   1.8930   0.7703   1.8110   0.7720 0.8194000E-01 1.091000 
1 1 1  -70    2    4 o   3.1830   0.5168   2.7680   0.8136   3.5970   0.6373 -0.8285000 1.034000 
1 1 1  -70    2    5 o   2.0670   0.5612   2.4180   0.9001   1.7170   0.6704 0.7011000 1.122000 
1 1 1  -70    2    6 o   2.5640   0.6037   2.7990   0.8727   2.3290   0.8345 0.4693000 1.207000 
1 1 1  -70    2    7 o   2.1030   0.5617   2.5730   0.8672   1.6320   0.7140 0.9409000 1.123000 
1 1 1  -70    2    8 o   3.1970   0.6384   3.3980   0.9361   2.9970   0.8684 0.4007000 1.277000 
1 1 1  -70    2    9 o   3.2650   0.6913  ?   ?    3.2650   0.6913      ?      ? 
1 1 1  -70    2   10 o   3.9960   0.6683   3.9960   0.6683  ?   ?       ?      ? 
1 1 1  -70    2   11 o   1.4160   0.6405   1.4160   0.6405  ?   ?       ?      ? 
1 1 1  -70    2   14 o   4.0430   0.5875   4.0430   0.5875  ?   ?       ?      ? 
1 1 1  -70    2   15 o   1.6150   0.7280   1.6150   0.7280  ?   ?       ?      ? 
1 1 1  -70    4    1 o   2.0540   0.6100   2.1340   0.9052   1.9740   0.8180 0.1598000 1.220000 
1 1 1  -70    4    2 o   2.2220   0.6120   2.4400   0.9299   2.0040   0.7957 0.4357000 1.224000 
1 1 1  -70    4    3 o   2.7050   0.5808   2.9200   0.8762   2.4890   0.7625 0.4317000 1.162000 
1 1 1  -70    4    4 o   2.8250   0.6666   2.6220   1.1230   3.0280   0.7180 -0.4060000 1.333000 
1 1 1  -70    4    5 o   2.3140   0.7004   2.6120   1.0950   2.0170   0.8740 0.5947000 1.401000 
1 1 1  -70    4    6 o   2.3310   0.7279   2.2320   1.0130   2.4310   1.0450 -0.1992000 1.456000 
1 1 1  -70    4    7 o   3.5390   0.6851   2.9430   1.1340   4.1350   0.7690 -1.192000 1.370000 
1 1 1  -70    4    8 o   2.3720   0.7070   2.6740   1.1260   2.0700   0.8549 0.6034000 1.414000 
1 1 1  -70    4    9 o   3.2960   0.6536   2.5820   1.0790   4.0100   0.7381 -1.428000 1.307000 
1 1 1  -70    4   10 o   2.9120   0.6971   3.0440   1.0800   2.7800   0.8817 0.2643000 1.394000 
1 1 1  -70    4   11 o   2.0420   0.6221   2.0390   0.9293   2.0440   0.8272 -0.5444000E-02 1.244000 
1 1 1  -70    4   12 o   2.6030   0.6345   2.0600   0.9292   3.1470   0.8642 -1.087000 1.269000 
1 1 1  -70    4   13 o   4.2390   0.6119   3.8940   1.0520   4.5830   0.6258 -0.6895000 1.224000 
1 1 1  -70    4   14 o   4.8590   0.5272   5.5530   0.8046   4.1660   0.6813 1.387000 1.054000 
1 1 1  -70    6    1 o   1.9920   0.5910   1.7310   0.8051   2.2530   0.8654 -0.5216000 1.182000 
1 1 1  -70    6    2 o   1.9550   0.5911   2.1130   0.8864   1.7980   0.7821 0.3151000 1.182000 
1 1 1  -70    6    3 o   3.0710   0.5614   3.1110   0.8399   3.0310   0.7451 0.7959000E-01 1.123000 
1 1 1  -70    6    4 o   2.4830   0.5564   1.8600   0.9074   3.1070   0.6443 -1.246000 1.113000 
1 1 1  -70    6    5 o   2.4930   0.7476   2.8940   1.1780   2.0920   0.9204 0.8019000 1.495000 
1 1 1  -70    6    6 o   2.3900   0.7341   2.7150   1.1520   2.0650   0.9103 0.6507000 1.468000 
1 1 1  -70    6    7 o   2.6910   0.7651   3.1980   1.2170   2.1840   0.9274 1.014000 1.530000 
1 1 1  -70    6    8 o   2.1320   0.6751   2.7260   1.1250   1.5380   0.7462 1.188000 1.350000 
1 1 1  -70    6    9 o   1.8540   0.6244   1.9980   0.9542   1.7100   0.8055 0.2883000 1.249000 
1 1 1  -70    6   10 o   2.7650   0.7655   3.1590   1.1900   2.3710   0.9632 0.7882000 1.531000 
1 1 1  -70    6   11 o   2.3150   0.6921   2.2430   1.0060   2.3870   0.9509 -0.1434000 1.384000 
1 1 1  -70    6   12 o   5.1790   0.6408   4.5040   1.1340   5.8550   0.5966 -1.350000 1.282000 
1 1 1  -70    6   13 o   4.0340   0.6479   2.5680   1.1030   5.5010   0.6805 -2.933000 1.296000 
1 1 1  -70    8    2 o   2.2340   0.6501   2.0580   0.8948   2.4100   0.9432 -0.3523000 1.300000 
1 1 1  -70    8    3 o   3.0950   0.5851   3.8020   0.8198   2.3870   0.8352 1.416000 1.170000 
1 1 1  -70    8    4 o   2.1260   0.6148   2.2500   0.8092   2.0020   0.9258 0.2472000 1.230000 
1 1 1  -70    8    5 o   2.8800   0.7836   2.3580   1.0920   3.4030   1.1240 -1.044000 1.567000 
1 1 1  -70    8    6 o   2.0470   0.6812   2.0070   0.9749   2.0860   0.9518 -0.7942000E-01 1.362000 
1 1 1  -70    8    7 o   2.6880   0.7813   3.5520   1.2990   1.8240   0.8679 1.728000 1.563000 
1 1 1  -70    8    8 o   2.4770   0.7658   2.7420   1.1740   2.2130   0.9841 0.5290000 1.532000 
1 1 1  -70    8    9 o   2.5540   0.7590   3.1490   1.2170   1.9580   0.9069 1.191000 1.518000 
1 1 1  -70    8   10 o   2.0770   0.6770   1.9040   0.9325   2.2500   0.9817 -0.3457000 1.354000 
1 1 1  -69    1    1 o   1.8250   0.5950   1.8930   0.8724   1.7580   0.8094 0.1347000 1.190000 
1 1 1  -69    1    2 o   4.1500   0.4433   4.0830   0.5688   4.2170   0.6800 -0.1342000 0.8866000 
1 1 1  -69    1    3 o   1.4750   0.4751   1.3780   0.6509   1.5720   0.6923 -0.1941000 0.9503000 
1 1 1  -69    1    4 o   1.3420   0.4410   1.3170   0.6234   1.3680   0.6240 -0.5107000E-01 0.8821000 
1 1 1  -69    1    5 o   2.8000   0.4539   2.9260   0.5869   2.6750   0.6926 0.2513000 0.9078000 
1 1 1  -69    1    6 o   3.7630   0.5166   4.1840   0.5766   3.3420   0.8572 0.8421000 1.033000 
1 1 1  -69    1    7 o   2.4260   0.5096   2.0580   0.8212   2.7950   0.6035 -0.7374000 1.019000 
1 1 1  -69    1    8 o   3.4680   0.6355   3.4680   0.6355  ?   ?       ?      ? 
1 1 1  -69    3    1 o   2.0130   0.5869   2.3750   0.8920   1.6510   0.7630 0.7246000 1.174000 
1 1 1  -69    3    2 f   2.6080   0.5876   2.9730   0.8604   2.2420   0.8005 0.7306000 1.175000 
1 1 1  -69    3    3 f   2.6680   0.5252   2.8430   0.7192   2.4920   0.7656 0.3514000 1.050000 
1 1 1  -69    3    4 o   3.2520   0.5994   3.9930   0.5313   2.5100   1.0750 1.484000 1.199000 
1 1 1  -69    3    5 o   3.0090   0.6880   2.5430   1.0710   3.4760   0.8639 -0.9322000 1.376000 
1 1 1  -69    3    6 o   4.7510   0.5954   5.1380   0.9729   4.3630   0.6866 0.7748000 1.191000 
1 1 1  -69    3    7 o   1.9110   0.6075   2.1030   0.9437   1.7190   0.7654 0.3836000 1.215000 
1 1 1  -69    3    8 o   2.2580   0.6621   2.5860   1.0560   1.9310   0.7995 0.6554000 1.324000 
1 1 1  -69    3    9 f   4.4590   0.5250   4.2470   0.9022   4.6710   0.5370 -0.4243000 1.050000 
1 1 1  -69    3   10 o   9.7990   0.3009   9.9170   0.4413   9.6810   0.4090 0.2361000 0.6017000 
1 1 1  -69    3   11 o   3.1640   0.6882   3.5800   0.9781   2.7480   0.9685 0.8321000 1.376000 
1 1 1  -69    3   12 o   2.7470   0.5588   4.0220   0.8605   1.4720   0.7130 2.549000 1.118000 
1 1 1  -69    3   13 o   3.2200   0.6867   2.5580   0.9780   3.8820   0.9643 -1.323000 1.373000 
1 1 1  -69    3   14 o   2.7280   0.7152   2.3140   0.9472   3.1420   1.0720 -0.8282000 1.430000 
1 1 1  -69    3   15 o   1.8860   0.5570   1.6040   0.7689   2.1680   0.8059 -0.5640000 1.114000 
1 1 1  -69    3   16 o   4.9020   0.4773   5.3480   0.7309   4.4550   0.6140 0.8929000 0.9546000 
1 1 1  -69    5    1 f   2.8930   0.6545   2.6970   0.9736   3.0890   0.8750 -0.3915000 1.309000 
1 1 1  -69    5    2 f   2.4640   0.6302   2.4510   0.9426   2.4770   0.8366 -0.2533000E-01 1.260000 
1 1 1  -69    5    3 o   2.1060   0.5720   2.0880   0.8418   2.1230   0.7747 -0.3578000E-01 1.144000 
1 1 1  -69    5    4 o   1.5030   0.5304   1.8640   0.9062   1.1430   0.5513 0.7208000 1.061000 
1 1 1  -69    5    5 o   4.1300   0.7182   3.4070   1.2090   4.8520   0.7762 -1.445000 1.436000 
1 1 1  -69    5    6 o   2.1490   0.6814   2.3100   1.0430   1.9870   0.8776 0.3228000 1.363000 
1 1 1  -69    5    7 o   2.0430   0.6491   2.0400   0.9508   2.0460   0.8839 -0.5823000E-02 1.298000 
1 1 1  -69    5    8 o   2.1310   0.6885   2.5150   1.0850   1.7470   0.8484 0.7687000 1.377000 
1 1 1  -69    5    9 o   3.6880   0.8392   3.5930   1.2480   3.7820   1.1220 -0.1886000 1.678000 
1 1 1  -69    5   10 f   3.0920   0.7511   3.2660   1.1710   2.9170   0.9409 0.3494000 1.502000 
1 1 1  -69    5   11 o   2.8830   0.7309   2.8020   1.1120   2.9640   0.9486 -0.1625000 1.462000 
1 1 1  -69    5   12 o   2.5690   0.6374   1.8140   0.8780   3.3240   0.9241 -1.510000 1.275000 
1 1 1  -69    5   13 o   3.0380   0.7268   2.9050   1.1150   3.1710   0.9329 -0.2659000 1.454000 
1 1 1  -69    5   14 f   2.1320   0.6727   1.7880   0.8658   2.4750   1.0300 -0.6868000 1.345000 
1 1 1  -69    5   15 o   2.4240   0.6689   1.5950   0.7904   3.2540   1.0790 -1.659000 1.338000 
1 1 1  -69    7    1 o   3.5290   0.6822   3.4100   0.9954   3.6480   0.9330 -0.2383000 1.364000 
1 1 1  -69    7    2 o   4.4920   0.5118   4.1150   0.8500   4.8690   0.5703 -0.7543000 1.024000 
1 1 1  -69    7    3 o   3.6100   0.5281   3.4030   0.8308   3.8180   0.6521 -0.4149000 1.056000 
1 1 1  -69    7    4 o   2.7190   0.7060   2.6530   1.1690   2.7850   0.7915 -0.1317000 1.412000 
1 1 1  -69    7    5 o   2.2870   0.7312   2.8570   1.2060   1.7170   0.8273 1.139000 1.462000 
1 1 1  -69    7    6 o   2.3100   0.7351   2.4620   1.1140   2.1580   0.9594 0.3037000 1.470000 
1 1 1  -69    7    7 o   2.6620   0.7493   2.3730   1.0810   2.9520   1.0370 -0.5786000 1.499000 
1 1 1  -69    7    8 o   2.4960   0.6989   1.8230   0.8913   3.1690   1.0770 -1.346000 1.398000 
1 1 1  -69    7    9 o   4.1900   0.7182   2.8610   1.2040   5.5180   0.7827 -2.657000 1.436000 
1 1 1  -69    7   10 o   4.9110   0.7294   5.2290   1.1740   4.5930   0.8664 0.6354000 1.459000 
1 1 1  -69    7   11 o   3.1600   0.7600   4.2790   1.2260   2.0410   0.8985 2.238000 1.520000 
1 1 1  -69    7   12 o   2.8450   0.7619   2.6550   1.1260   3.0340   1.0260 -0.3789000 1.524000 
1 1 1  -69    7   13 o   5.1900   0.6813   3.6380   1.2370   6.7430   0.5707 -3.105000 1.363000 
1 1 1  -69    7   14 o   2.2790   1.0500   2.2790   1.0500  ?   ?       ?      ? 
1 1 1  -69    9    1 o   3.8870   0.8998   4.0390   1.4500   3.7350   1.0650 0.3040000 1.800000 
1 1 1  -69    9    2 o   2.5900   0.6637   2.2640   0.9714   2.9170   0.9046 -0.6522000 1.327000 
1 1 1  -69    9    3 o   2.6320   0.5282   1.6670   0.7931   3.5980   0.6980 -1.930000 1.056000 
1 1 1  -69    9    4 o   1.5870   0.5156   1.5330   0.7141   1.6400   0.7439 -0.1071000 1.031000 
1 1 1  -69    9    5 o   2.4100   0.7281   3.2740   1.2870   1.5470   0.6820 1.727000 1.456000 
1 1 1  -69    9    6 o   2.2840   0.7358   2.1590   1.0350   2.4080   1.0460 -0.2490000 1.472000 
1 1 1  -69    9    7 o   2.3070   0.7501   2.4970   1.1430   2.1170   0.9714 0.3799000 1.500000 
1 1 1  -69    9    8 o   4.6630   0.8110   4.0340   1.3560   5.2920   0.8895 -1.258000 1.622000 
1 1 1  -69    9    9 o   2.2020   0.7180   2.5830   1.1450   1.8210   0.8670 0.7614000 1.436000 
1 1 1  -69    9   10 o   5.5300   0.7592   4.4540   1.3480   6.6070   0.6983 -2.152000 1.518000 
1 1 1  -69    9   11 o   2.3580   0.7470   2.3410   1.1000   2.3750   1.0110 -0.3435000E-01 1.494000 
1 1 1  -68    0    1 o   1.1880   0.7992   1.1880   0.7992   1.1880   0.7992 -0.000000 0.000000 
1 1 1  -68    0    2 o   1.3880   0.9223   1.3880   0.9223   1.3880   0.9223 -0.000000 0.000000 
1 1 1  -68    0    3 o   2.8070   0.8590   2.8070   0.8590   2.8070   0.8590 -0.000000 0.000000 
1 1 1  -68    0    4 o   4.8500   0.4023   4.8500   0.4023   4.8500   0.4023 -0.000000 0.000000 
1 1 1  -68    0    5 o   3.0290   0.7082   3.0290   0.7082   3.0290   0.7082 -0.000000 0.000000 
1 1 1  -68    0    6 o   7.6320   0.2514   7.6320   0.2514   7.6320   0.2514 -0.000000 0.000000 
1 1 1  -68    0   18 o   4.7590   0.5306   4.7590   0.5306   4.7590   0.5306 -0.000000 0.000000 
1 1 1  -68    2    1 f   2.2830   0.6299   1.8590   0.8707   2.7070   0.9106 -0.8475000 1.260000 
1 1 1  -68    2    2 o   2.0470   0.5669   1.8690   0.8106   2.2260   0.7928 -0.3562000 1.134000 
1 1 1  -68    2    3 f   2.9790   0.5519   3.2110   0.7416   2.7460   0.8176 0.4650000 1.104000 
1 1 1  -68    2    4 o   1.6000   0.5042   1.6300   0.7267   1.5690   0.6992 0.6133000E-01 1.008000 
1 1 1  -68    2    5 o   2.8350   0.5607   3.3370   0.8897   2.3340   0.6827 1.003000 1.121000 
1 1 1  -68    2    6 o   3.9210   0.4979   3.7270   0.7739   4.1140   0.6268 -0.3868000 0.9959000 
1 1 1  -68    2    7 o   5.8640   0.3128   5.8660   0.4673   5.8620   0.4159 0.4638000E-02 0.6256000 
1 1 1  -68    2    8 o   2.2900   0.5914   1.6400   0.7584   2.9410   0.9076 -1.301000 1.183000 
1 1 1  -68    2    9 o   2.4630   0.6483  ?   ?    2.4630   0.6483      ?      ? 
1 1 1  -68    2   10 o   1.8110   0.5293   2.1260   0.8315   1.4960   0.6550 0.6295000 1.059000 
1 1 1  -68    2   11 o   6.2380   0.4406   6.2380   0.4406  ?   ?       ?      ? 
1 1 1  -68    2   12 o   6.1020   0.4136   6.1020   0.4136  ?   ?       ?      ? 
1 1 1  -68    2   13 o   2.6240   0.8270   2.6240   0.8270  ?   ?       ?      ? 
1 1 1  -68    2   14 o   6.2000   0.3185   6.4540   0.4580   5.9460   0.4427 0.5079000 0.6369000 
1 1 1  -68    2   15 o   4.1030   0.4580  ?   ?    4.1030   0.4580      ?      ? 
1 1 1  -68    2   16 o   1.9600   0.6079   2.2890   0.9361   1.6320   0.7757 0.6571000 1.216000 
1 1 1  -68    2   17 o   4.3360   0.4186   4.8380   0.5292   3.8330   0.6486 1.005000 0.8371000 
1 1 1  -68    4    1 o   3.1690   0.5917   2.4230   0.9522   3.9160   0.7026 -1.494000 1.183000 
1 1 1  -68    4    2 o   1.9060   0.5637   1.7420   0.7974   2.0700   0.7971 -0.3288000 1.127000 
1 1 1  -68    4    3 o   3.5320   0.4880   4.6740   0.6050   2.3910   0.7658 2.282000 0.9760000 
1 1 1  -68    4    4 o   2.2620   0.6256   2.1090   0.9850   2.4160   0.7715 -0.3069000 1.251000 
1 1 1  -68    4    5 o   3.2670   0.8005   2.7820   1.1240   3.7530   1.1400 -0.9704000 1.601000 
1 1 1  -68    4    6 o   4.7070   0.7321   4.0810   1.1540   5.3320   0.9007 -1.251000 1.464000 
1 1 1  -68    4    7 o   5.5140   0.6060   4.2850   1.1100   6.7430   0.4861 -2.458000 1.212000 
1 1 1  -68    4    8 o   4.0780   0.6629   3.1590   1.1710   4.9970   0.6224 -1.838000 1.326000 
1 1 1  -68    4    9 o   3.8230   0.6749   3.4150   1.1550   4.2320   0.6979 -0.8162000 1.350000 
1 1 1  -68    4   10 o   4.5340   0.5963   4.2310   1.0260   4.8370   0.6077 -0.6057000 1.193000 
1 1 1  -68    4   11 o   9.3300   0.3053   9.4110   0.5136   9.2490   0.3302 0.1622000 0.6106000 
1 1 1  -68    4   12 o   4.5370   0.5675   5.9870   0.6938   3.0870   0.8983 2.900000 1.135000 
1 1 1  -68    4   13 o   1.9530   0.6195   2.2650   0.9867   1.6420   0.7494 0.6223000 1.239000 
1 1 1  -68    4   14 o   2.3580   0.6781   2.6570   1.0670   2.0580   0.8376 0.5995000 1.356000 
1 1 1  -68    4   15 o   2.1080   0.6120   1.7400   0.8393   2.4760   0.8909 -0.7368000 1.224000 
1 1 1  -68    4   16 o   1.8010   0.5967   2.2310   0.9906   1.3700   0.6657 0.8613000 1.193000 
1 1 1  -68    4   17 f   2.0120   0.6445   1.7640   0.8492   2.2610   0.9697 -0.4964000 1.289000 
1 1 1  -68    6    1 o   3.0260   0.6599   3.1180   0.9916   2.9350   0.8709 0.1824000 1.320000 
1 1 1  -68    6    2 o   2.2730   0.6214   2.1830   0.9036   2.3630   0.8534 -0.1803000 1.243000 
1 1 1  -68    6    3 o   5.3550   0.3484   5.3950   0.5450   5.3150   0.4341 0.7960000E-01 0.6968000 
1 1 1  -68    6    4 o   2.2240   0.6810   2.5790   1.1420   1.8700   0.7417 0.7088000 1.362000 
1 1 1  -68    6    5 o   3.2910   0.8035   3.2480   1.2290   3.3340   1.0350 -0.8631000E-01 1.607000 
1 1 1  -68    6    6 o   3.0650   0.7367   2.4410   1.0900   3.6900   0.9916 -1.249000 1.473000 
1 1 1  -68    6    7 o   9.4070   0.3833   9.6230   0.6343   9.1910   0.4304 0.4320000 0.7665000 
1 1 1  -68    6    8 o   2.0030   0.6510   2.0690   0.9686   1.9370   0.8700 0.1322000 1.302000 
1 1 1  -68    6    9 o   2.5680   0.7219   2.1790   1.0230   2.9570   1.0190 -0.7774000 1.444000 
1 1 1  -68    6   10 o   4.0280   0.7279   5.3370   1.0410   2.7180   1.0180 2.619000 1.456000 
1 1 1  -68    6   11 o   2.0200   0.6528   2.2330   1.0050   1.8070   0.8331 0.4264000 1.306000 
1 1 1  -68    6   12 o   2.1630   0.6788   2.2970   1.0260   2.0300   0.8890 0.2675000 1.358000 
1 1 1  -68    6   13 o   2.5130   0.7137   2.3280   1.0430   2.6980   0.9746 -0.3696000 1.427000 
1 1 1  -68    6   14 o   2.5670   0.7302   2.5920   1.0880   2.5420   0.9738 0.4912000E-01 1.460000 
1 1 1  -68    6   15 o   2.2540   0.6944   2.3140   1.0410   2.1940   0.9194 0.1199000 1.389000 
1 1 1  -68    6   16 o   2.8350   0.6903   3.2850   1.0030   2.3840   0.9485 0.9005000 1.381000 
1 1 1  -68    8    1 o   2.3950   0.9504  ?   ?    2.3950   0.9504      ?      ? 
1 1 1  -68    8    2 o   7.6460   0.3044   7.6060   0.4828   7.6860   0.3709 -0.7992000E-01 0.6088000 
1 1 1  -68    8    3 o   4.2010   0.4953   3.8210   0.8395   4.5810   0.5259 -0.7592000 0.9906000 
1 1 1  -68    8    4 o   3.6930   0.6523   3.3520   0.7279   4.0350   1.0830 -0.6834000 1.305000 
1 1 1  -68    8    5 o   3.4600   0.8271   3.0630   1.2530   3.8570   1.0800 -0.7938000 1.654000 
1 1 1  -68    8    6 o   2.8490   0.8256   3.2490   1.2920   2.4490   1.0280 0.7991000 1.651000 
1 1 1  -68    8    7 o   1.7050   0.5993   1.8930   0.9319   1.5160   0.7537 0.3778000 1.199000 
1 1 1  -68    8    8 o   2.4690   0.7671   2.6550   1.1580   2.2820   1.0070 0.3728000 1.534000 
1 1 1  -68    8    9 o   2.9020   0.7835   2.4180   1.1010   3.3850   1.1150 -0.9673000 1.567000 
1 1 1  -68    8   10 o   2.7630   0.8143   2.9140   1.2560   2.6120   1.0360 0.3028000 1.629000 
1 1 1  -68    8   11 o   6.2790   0.6001   6.4290   0.9908   6.1300   0.6774 0.2989000 1.200000 
1 1 1  -68    8   12 o   1.8650   0.6284   2.0030   0.9524   1.7270   0.8200 0.2756000 1.257000 
1 1 1  -68    8   13 o   3.1920   0.7724   2.7740   1.1630   3.6110   1.0170 -0.8370000 1.545000 
1 1 1  -68    8   14 o   4.0040   0.7910   3.8790   1.2530   4.1290   0.9660 -0.2502000 1.582000 
1 1 1  -68   10    1 o   2.6420   0.7689   2.7940   1.2550   2.4900   0.8889 0.3038000 1.538000 
1 1 1  -68   10    2 o   2.2630   0.6622   2.5640   1.0000   1.9620   0.8682 0.6021000 1.324000 
1 1 1  -68   10    3 o   1.8920   0.5844   1.7000   0.8081   2.0830   0.8444 -0.3835000 1.169000 
1 1 1  -68   10    4 o   1.9360   0.5950   2.0430   0.8982   1.8290   0.7805 0.2141000 1.190000 
1 1 1  -68   10    5 o   1.9330   0.8184  ?   ?    1.9330   0.8184      ?      ? 
1 1 1  -68   10    6 o   2.0830   0.6991   2.1080   1.0160   2.0590   0.9602 0.4954000E-01 1.398000 
1 1 1  -68   10    7 o   2.3890   0.7650   2.6770   1.1890   2.1010   0.9634 0.5761000 1.530000 
1 1 1  -68   10    8 o   2.5960   0.8009   2.9490   1.2550   2.2430   0.9960 0.7059000 1.602000 
1 1 1  -68   10    9 o   2.4180   0.7611   2.4760   1.1230   2.3600   1.0270 0.1158000 1.522000 
1 1 1  -68   10   10 o   2.0780   0.6918   2.0530   0.9963   2.1040   0.9601 -0.5152000E-01 1.384000 
1 1 1  -68   10   11 o   2.1940   0.7221   2.3330   1.0940   2.0540   0.9430 0.2788000 1.444000 
1 1 1  -67    1    1 o   2.0060   0.6295   2.1310   0.9330   1.8820   0.8453 0.2493000 1.259000 
1 1 1  -67    1    2 o   1.5690   0.5088   1.2620   0.6269   1.8750   0.8016 -0.6126000 1.018000 
1 1 1  -67    1    3 o   1.5280   0.4734   1.7600   0.7215   1.2960   0.6131 0.4635000 0.9468000 
1 1 1  -67    1    4 o   1.3940   0.4566   1.3830   0.6575   1.4050   0.6338 -0.2205000E-01 0.9133000 
1 1 1  -67    1    5 o   2.4410   0.4573   2.6530   0.5447   2.2290   0.7347 0.4238000 0.9146000 
1 1 1  -67    1    6 o   2.9590   0.6049   2.8340   0.8089   3.0840   0.8996 -0.2497000 1.210000 
1 1 1  -67    1    7 o   1.4830   0.4838   1.7400   0.7841   1.2260   0.5670 0.5138000 0.9676000 
1 1 1  -67    1    8 o   2.6820   0.7971   2.6820   0.7971  ?   ?       ?      ? 
1 1 1  -67    1   16 o   7.1540   0.3715  ?   ?    7.1540   0.3715      ?      ? 
1 1 1  -67    1   17 o   3.5980   0.5845   4.7700   0.7045   2.4270   0.9328 2.343000 1.169000 
1 1 1  -67    1   18 o   6.4900   0.3367   7.0610   0.5305   5.9190   0.4148 1.142000 0.6735000 
1 1 1  -67    1   19 o   2.8270   0.5155   3.3930   0.7037   2.2610   0.7536 1.132000 1.031000 
1 1 1  -67    3    1 o   4.3570   0.4953   4.5360   0.6889   4.1780   0.7119 0.3582000 0.9906000 
1 1 1  -67    3    2 o   1.5520   0.5024   1.6370   0.7455   1.4660   0.6738 0.1712000 1.005000 
1 1 1  -67    3    3 o   1.4790   0.4845   1.5780   0.7296   1.3810   0.6377 0.1960000 0.9690000 
1 1 1  -67    3    4 o   4.7500   0.3630   5.3950   0.4087   4.1050   0.5999 1.290000 0.7259000 
1 1 1  -67    3    5 o   2.9770   0.7263   2.9230   1.1250   3.0310   0.9189 -0.1078000 1.453000 
1 1 1  -67    3    6 f   2.6680   0.6916   2.4120   1.0380   2.9250   0.9146 -0.5127000 1.383000 
1 1 1  -67    3    7 o   9.6150   0.3028   9.6200   0.5055   9.6100   0.3334 0.9768000E-02 0.6055000 
1 1 1  -67    3    8 o   3.5210   0.6578   3.1760   1.1070   3.8650   0.7111 -0.6885000 1.316000 
1 1 1  -67    3    9 o   2.8150   0.6223   2.3190   0.9739   3.3100   0.7750 -0.9907000 1.245000 
1 1 1  -67    3   10 o   1.8850   0.5621   1.6890   0.7994   2.0800   0.7906 -0.3909000 1.124000 
1 1 1  -67    3   11 o   6.5140   0.4184   6.3600   0.6158   6.6680   0.5664 -0.3072000 0.8367000 
1 1 1  -67    3   12 o   4.6920   0.5972   5.2860   0.6952   4.0980   0.9712 1.188000 1.194000 
1 1 1  -67    3   13 o   5.8060   0.4059   5.6880   0.7005   5.9240   0.4101 -0.2357000 0.8117000 
1 1 1  -67    3   14 o   7.0340   0.3259   7.4690   0.5192   6.5990   0.3941 0.8704000 0.6519000 
1 1 1  -67    3   15 f   5.2370   0.4529   5.3060   0.7423   5.1690   0.5190 0.1370000 0.9057000 
1 1 1  -67    3   16 o   2.6030   0.5833   1.8160   0.8504   3.3910   0.7986 -1.575000 1.167000 
1 1 1  -67    3   17 o   4.3420   0.4851   4.4650   0.6574   4.2190   0.7135 0.2462000 0.9702000 
1 1 1  -67    3   18 o   5.4100   0.5672   4.3370   1.0280   6.4820   0.4796 -2.145000 1.134000 
1 1 1  -67    5    1 o   2.7090   0.6241   3.5410   0.9564   1.8770   0.8022 1.664000 1.248000 
1 1 1  -67    5    2 o   1.5120   0.5042   1.7870   0.8096   1.2360   0.6011 0.5503000 1.008000 
1 1 1  -67    5    3 o   2.1530   0.5533   1.7910   0.7908   2.5160   0.7741 -0.7252000 1.107000 
1 1 1  -67    5    4 o   2.1780   0.6724   2.6120   1.1360   1.7450   0.7202 0.8668000 1.345000 
1 1 1  -67    5    5 o   1.8940   0.6334   2.2780   1.0330   1.5110   0.7329 0.7672000 1.267000 
1 1 1  -67    5    6 o   5.4470   0.5877   6.0130   0.9296   4.8800   0.7195 1.133000 1.175000 
1 1 1  -67    5    7 o   4.0480   0.7735   4.8390   1.0780   3.2580   1.1090 1.581000 1.547000 
1 1 1  -67    5    8 o   5.7780   0.6127   5.5720   0.9240   5.9850   0.8049 -0.4125000 1.225000 
1 1 1  -67    5    9 o   2.1080   0.6871   2.2210   1.0180   1.9950   0.9234 0.2266000 1.374000 
1 1 1  -67    5   10 o   2.5740   0.7489   2.3110   1.0360   2.8370   1.0810 -0.5261000 1.498000 
1 1 1  -67    5   11 o   3.4440   0.7234   4.2810   1.0850   2.6080   0.9571 1.673000 1.447000 
1 1 1  -67    5   12 o   4.4160   0.6552   3.8670   1.1460   4.9650   0.6361 -1.097000 1.310000 
1 1 1  -67    5   13 f   2.8740   0.7800   2.8130   1.1090   2.9350   1.0970 -0.1214000 1.560000 
1 1 1  -67    5   14 o   2.2400   0.7104   2.4390   1.0600   2.0410   0.9466 0.3980000 1.421000 
1 1 1  -67    5   15 o   4.3400   0.7338   5.0900   0.9827   3.5910   1.0900 1.499000 1.468000 
1 1 1  -67    5   16 o   6.5050   0.4327   6.3830   0.5428   6.6280   0.6741 -0.2451000 0.8654000 
1 1 1  -67    5   17 o   3.5260   0.6490   3.9330   0.8874   3.1190   0.9472 0.8138000 1.298000 
1 1 1  -67    5   18 o   1.9440   0.6336   1.7680   0.8629   2.1200   0.9281 -0.3514000 1.267000 
1 1 1  -67    7    1 o   2.7350   0.5969   3.8470   0.9347   1.6220   0.7426 2.225000 1.194000 
1 1 1  -67    7    2 o   2.1030   0.6059   2.1070   0.8900   2.1000   0.8224 0.7309000E-02 1.212000 
1 1 1  -67    7    3 o   4.0410   0.4736   3.7780   0.7731   4.3030   0.5472 -0.5253000 0.9472000 
1 1 1  -67    7    4 o   1.9880   0.5375   1.8600   0.7265   2.1170   0.7924 -0.2572000 1.075000 
1 1 1  -67    7    5 o   1.9290   0.6573   2.2190   1.0440   1.6380   0.7991 0.5808000 1.315000 
1 1 1  -67    7    6 o   2.1770   0.6977   2.0380   0.9788   2.3160   0.9945 -0.2772000 1.395000 
1 1 1  -67    7    7 o   2.0060   0.6666   2.1020   1.0000   1.9100   0.8817 0.1923000 1.333000 
1 1 1  -67    7    8 o   2.3300   0.7297   2.6290   1.1330   2.0300   0.9198 0.5989000 1.459000 
1 1 1  -67    7    9 o   2.9960   0.7809   2.6130   1.1570   3.3790   1.0490 -0.7659000 1.562000 
1 1 1  -67    7   10 o   2.2260   0.7144   2.4310   1.1080   2.0220   0.9017 0.4095000 1.429000 
1 1 1  -67    7   11 o   3.1920   0.6938   2.2160   1.0320   4.1680   0.9276 -1.952000 1.388000 
1 1 1  -67    7   12 o   2.2800   0.7105   2.6010   1.1140   1.9600   0.8828 0.6416000 1.421000 
1 1 1  -67    7   13 o   5.3390   0.6743   4.2860   1.2070   6.3930   0.6023 -2.107000 1.349000 
1 1 1  -67    7   14 o   4.1180   0.7371   3.4010   1.2410   4.8360   0.7959 -1.435000 1.474000 
1 1 1  -67    7   15 o   3.2230   0.7225   3.2200   1.0160   3.2270   1.0280 -0.7461000E-02 1.445000 
1 1 1  -67    7   16 o   2.0000   0.6282   2.1810   0.9304   1.8200   0.8445 0.3611000 1.256000 
1 1 1  -67    9    1 o   3.8130   1.0400  ?   ?    3.8130   1.0400      ?      ? 
1 1 1  -67    9    2 o   2.1200   0.6243   2.7360   1.0250   1.5040   0.7132 1.232000 1.249000 
1 1 1  -67    9    3 o   2.5880   0.6346   2.8480   0.9592   2.3270   0.8311 0.5207000 1.269000 
1 1 1  -67    9    4 o   2.0410   0.5707   2.0780   0.8556   2.0050   0.7554 0.7319000E-01 1.141000 
1 1 1  -67    9    5 o   2.2200   0.6597   2.1900   1.0400   2.2500   0.8115 -0.5962000E-01 1.319000 
1 1 1  -67    9    6 o   2.1460   0.7131   2.5980   1.1630   1.6930   0.8257 0.9053000 1.426000 
1 1 1  -67    9    7 o   2.4350   0.7562   2.2530   1.0670   2.6170   1.0720 -0.3637000 1.512000 
1 1 1  -67    9    8 f   2.3160   0.7294   2.1890   1.0360   2.4420   1.0270 -0.2532000 1.459000 
1 1 1  -67    9    9 o   2.1180   0.7015   2.2990   1.0740   1.9370   0.9029 0.3619000 1.403000 
1 1 1  -67    9   10 o   2.7710   0.8321   3.3550   1.3520   2.1880   0.9700 1.168000 1.664000 
1 1 1  -67    9   11 o   4.1770   0.8827   4.5980   1.3920   3.7570   1.0860 0.8404000 1.765000 
1 1 1  -67    9   12 o   2.3610   0.7357   2.2790   1.0670   2.4430   1.0130 -0.1641000 1.471000 
1 1 1  -67    9   13 o   2.0190   0.6602   1.8370   0.9022   2.2000   0.9640 -0.3630000 1.320000 
1 1 1  -67    9   14 o   2.2830   0.6909   2.0270   0.9169   2.5380   1.0340 -0.5111000 1.382000 
1 1 1  -67    9   15 o   4.3150   0.7656   3.0830   1.2820   5.5480   0.8373 -2.465000 1.531000 
1 1 1  -67   11    1 o   3.6940   0.5805   4.3610   0.7292   3.0270   0.9033 1.334000 1.161000 
1 1 1  -67   11    2 o   2.4900   0.6925   1.9580   0.9718   3.0230   0.9869 -1.065000 1.385000 
1 1 1  -67   11    3 o   2.2300   0.5838   1.6630   0.7830   2.7980   0.8663 -1.135000 1.168000 
1 1 1  -67   11    4 o   3.0160   0.6387   2.9110   1.0000   3.1220   0.7944 -0.2113000 1.277000 
1 1 1  -67   11    5 o   2.4800   0.6124   2.2480   0.9077   2.7120   0.8223 -0.4637000 1.225000 
1 1 1  -67   11    6 o   1.4380   0.6933  ?   ?    1.4380   0.6933      ?      ? 
1 1 1  -67   11    7 f   1.5580   0.6810  ?   ?    1.5580   0.6810      ?      ? 
1 1 1  -67   11    8 o   2.6560   1.2250  ?   ?    2.6560   1.2250      ?      ? 
1 1 1  -67   11    9 o   4.3290   1.1010  ?   ?    4.3290   1.1010      ?      ? 
1 1 1  -67   11   10 o   1.8040   0.8692  ?   ?    1.8040   0.8692      ?      ? 
1 1 1  -67   11   11 o   1.9950   0.9273  ?   ?    1.9950   0.9273      ?      ? 
1 1 1  -67   11   12 o   2.9240   1.1350  ?   ?    2.9240   1.1350      ?      ? 
1 1 1  -66    0    1 o   2.0180   1.1580   2.0180   1.1580   2.0180   1.1580 -0.000000 0.000000 
1 1 1  -66    0    2 o   2.1370   1.0280   2.1370   1.0280   2.1370   1.0280 -0.000000 0.000000 
1 1 1  -66    0    3 o   4.5860   0.4669   4.5860   0.4669   4.5860   0.4669 -0.000000 0.000000 
1 1 1  -66    0    4 o   6.2750   0.3099   6.2750   0.3099   6.2750   0.3099 -0.000000 0.000000 
1 1 1  -66    0    5 o   1.1380   0.7253   1.1380   0.7253   1.1380   0.7253 -0.000000 0.000000 
1 1 1  -66    0    6 o   1.7710   0.8510   1.7710   0.8510   1.7710   0.8510 -0.000000 0.000000 
1 1 1  -66    0   17 o   4.7990   0.5604   4.7990   0.5604   4.7990   0.5604 -0.000000 0.000000 
1 1 1  -66    0   18 o   1.0830   0.7278   1.0830   0.7278   1.0830   0.7278 -0.000000 0.000000 
1 1 1  -66    0   19 o   1.4010   0.8294   1.4010   0.8294   1.4010   0.8294 -0.000000 0.000000 
1 1 1  -66    0   20 f   1.5340   0.8990   1.5340   0.8990   1.5340   0.8990 -0.000000 0.000000 
1 1 1  -66    2    1 o   2.0450   0.6070   1.8260   0.8562   2.2640   0.8607 -0.4375000 1.214000 
1 1 1  -66    2    2 o   3.1250   0.5461   3.7680   0.7519   2.4820   0.7920 1.285000 1.092000 
1 1 1  -66    2    3 o   3.1760   0.5252   2.6320   0.8019   3.7200   0.6784 -1.088000 1.050000 
1 1 1  -66    2    4 o   1.8140   0.5100   2.0650   0.7476   1.5620   0.6938 0.5033000 1.020000 
1 1 1  -66    2    5 o   3.4820   0.4936   2.5600   0.9082   4.4050   0.3869 -1.845000 0.9872000 
1 1 1  -66    2    6 o   7.1070   0.2765   7.1870   0.3963   7.0270   0.3856 0.1604000 0.5529000 
1 1 1  -66    2    7 o   5.6150   0.4775   5.0030   0.8725   6.2280   0.3886 -1.224000 0.9551000 
1 1 1  -66    2    8 o   5.4200   0.4323   6.0500   0.5959   4.7900   0.6263 1.261000 0.8645000 
1 1 1  -66    2    9 o   4.3900   0.3973  ?   ?    4.3900   0.3973      ?      ? 
1 1 1  -66    2   10 o   1.1150   0.5262  ?   ?    1.1150   0.5262      ?      ? 
1 1 1  -66    2   11 o   3.1910   0.5239   2.8750   0.8219   3.5060   0.6499 -0.6315000 1.048000 
1 1 1  -66    2   12 o   3.5790   0.4914   3.5480   0.7425   3.6100   0.6438 -0.6192000E-01 0.9827000 
1 1 1  -66    2   13 o   4.2990   0.4053  ?   ?    4.2990   0.4053      ?      ? 
1 1 1  -66    2   14 o   3.1130   0.6131  ?   ?    3.1130   0.6131      ?      ? 
1 1 1  -66    2   15 o   5.3810   0.4500   5.0920   0.6369   5.6700   0.6360 -0.5781000 0.9001000 
1 1 1  -66    2   16 o   5.5780   0.4062   5.6290   0.6745   5.5260   0.4528 0.1029000 0.8124000 
1 1 1  -66    2   17 o   3.2620   0.5703   3.1680   0.8315   3.3560   0.7808 -0.1880000 1.141000 
1 1 1  -66    2   18 o   2.7160   0.5852   3.4870   0.8306   1.9440   0.8247 1.543000 1.170000 
1 1 1  -66    2   19 o   2.1250   0.5721   1.8710   0.7182   2.3800   0.8907 -0.5097000 1.144000 
1 1 1  -66    2   20 o   1.8060   0.8821   1.8060   0.8821  ?   ?       ?      ? 
1 1 1  -66    4    1 o   2.3090   0.6088   1.9290   0.8556   2.6890   0.8663 -0.7608000 1.218000 
1 1 1  -66    4    2 o   1.9450   0.5633   1.6750   0.7781   2.2140   0.8147 -0.5386000 1.127000 
1 1 1  -66    4    3 o   4.4360   0.4199   3.9790   0.7130   4.8930   0.4438 -0.9141000 0.8398000 
1 1 1  -66    4    4 o   1.9800   0.6332   2.3870   1.0650   1.5730   0.6854 0.8142000 1.266000 
1 1 1  -66    4    5 o   2.5160   0.7551   2.7150   1.1170   2.3170   1.0170 0.3979000 1.510000 
1 1 1  -66    4    6 o   6.5540   0.5414   6.8860   0.7614   6.2230   0.7698 0.6628000 1.083000 
1 1 1  -66    4    7 o   3.7950   0.7040   3.8290   1.1300   3.7600   0.8392 0.6965000E-01 1.408000 
1 1 1  -66    4    8 o   2.3450   0.6931   2.4140   1.0600   2.2750   0.8931 0.1382000 1.386000 
1 1 1  -66    4    9 o   3.3120   0.7134   3.2450   1.1210   3.3780   0.8820 -0.1329000 1.427000 
1 1 1  -66    4   10 f   2.9860   0.7163   3.2720   1.1110   2.6990   0.9040 0.5728000 1.433000 
1 1 1  -66    4   11 o   1.5850   0.5348   1.5560   0.7640   1.6130   0.7487 -0.5699000E-01 1.070000 
1 1 1  -66    4   12 o   4.9160   0.5450   4.9820   0.8963   4.8490   0.6202 0.1327000 1.090000 
1 1 1  -66    4   13 f   5.3850   0.4876   5.3350   0.8145   5.4350   0.5363 -0.1004000 0.9752000 
1 1 1  -66    4   14 o   6.0130   0.4683   5.5450   0.8152   6.4810   0.4611 -0.9354000 0.9366000 
1 1 1  -66    4   15 o   6.5230   0.4490   6.5140   0.7620   6.5310   0.4754 -0.1678000E-01 0.8981000 
1 1 1  -66    4   16 o   8.2060   0.3555   8.4330   0.5903   7.9800   0.3962 0.4529000 0.7109000 
1 1 1  -66    4   17 o   3.3620   0.7253   2.4760   1.0480   4.2480   1.0030 -1.772000 1.451000 
1 1 1  -66    4   18 o   3.2450   0.6536   2.8670   0.9503   3.6230   0.8975 -0.7564000 1.307000 
1 1 1  -66    4   19 o   3.4180   0.6557   3.6030   0.9052   3.2330   0.9488 0.3696000 1.311000 
1 1 1  -66    6    1 f   3.9670   0.5678   4.5050   0.8111   3.4280   0.7947 1.077000 1.136000 
1 1 1  -66    6    2 o   3.5620   0.5805   4.0670   0.8295   3.0570   0.8123 1.010000 1.161000 
1 1 1  -66    6    3 o   2.9050   0.5886   3.2030   0.8616   2.6070   0.8023 0.5960000 1.177000 
1 1 1  -66    6    4 o   2.7050   0.7346   3.0730   1.2370   2.3360   0.7928 0.7363000 1.469000 
1 1 1  -66    6    5 o   2.2150   0.6704   1.7470   0.8627   2.6820   1.0260 -0.9354000 1.341000 
1 1 1  -66    6    6 o   2.3900   0.7351   2.7360   1.1590   2.0450   0.9046 0.6909000 1.470000 
1 1 1  -66    6    7 o   5.7440   0.6256   5.1690   1.1120   6.3190   0.5745 -1.150000 1.251000 
1 1 1  -66    6    8 o   3.7530   0.7042   2.8060   1.1510   4.7000   0.8111 -1.895000 1.408000 
1 1 1  -66    6    9 o   2.4320   0.7322   3.1810   1.2300   1.6830   0.7954 1.498000 1.464000 
1 1 1  -66    6   10 o   2.1150   0.6770   2.4310   1.0770   1.7980   0.8203 0.6327000 1.354000 
1 1 1  -66    6   11 o   5.2810   0.5977   5.5070   0.9793   5.0560   0.6856 0.4509000 1.195000 
1 1 1  -66    6   12 o   2.7550   0.7535   2.9030   1.1510   2.6080   0.9724 0.2942000 1.507000 
1 1 1  -66    6   13 o   4.4860   0.6887   3.7120   1.2030   5.2590   0.6698 -1.547000 1.377000 
1 1 1  -66    6   14 o   2.6020   0.7391   2.6550   1.1090   2.5490   0.9772 0.1054000 1.478000 
1 1 1  -66    6   15 o   3.3140   0.6540   2.4040   0.9648   4.2230   0.8830 -1.819000 1.308000 
1 1 1  -66    6   16 o   4.4050   0.6029   4.2710   0.8804   4.5400   0.8240 -0.2688000 1.206000 
1 1 1  -66    6   17 o   3.7850   0.6708   3.6810   0.9705   3.8900   0.9263 -0.2093000 1.342000 
1 1 1  -66    6   18 o   8.5780   0.3250   8.9140   0.4466   8.2420   0.4722 0.6720000 0.6500000 
1 1 1  -66    8    1 o   3.0430   0.8391   3.5550   1.3750   2.5310   0.9616 1.025000 1.678000 
1 1 1  -66    8    2 o   1.8550   0.5736   1.7960   0.8209   1.9140   0.8013 -0.1179000 1.147000 
1 1 1  -66    8    3 o   2.7210   0.6070   2.5850   0.9270   2.8570   0.7838 -0.2722000 1.214000 
1 1 1  -66    8    4 o   2.0280   0.5739   2.1330   0.8232   1.9230   0.7999 0.2095000 1.148000 
1 1 1  -66    8    5 o   2.3720   0.7474   2.4950   1.1220   2.2490   0.9877 0.2459000 1.495000 
1 1 1  -66    8    6 o   3.6570   0.8413   3.4080   1.2860   3.9060   1.0850 -0.4987000 1.683000 
1 1 1  -66    8    7 o   3.3960   0.8169   2.9060   1.2300   3.8870   1.0750 -0.9813000 1.634000 
1 1 1  -66    8    8 o   2.0920   0.6938   2.3080   1.0730   1.8760   0.8794 0.4320000 1.388000 
1 1 1  -66    8    9 o   6.2310   0.6119   6.8450   0.9235   5.6170   0.8031 1.228000 1.224000 
1 1 1  -66    8   10 o   3.3480   0.8055   2.7550   1.2240   3.9400   1.0480 -1.185000 1.611000 
1 1 1  -66    8   11 o   2.7100   0.8012   3.2290   1.2790   2.1910   0.9648 1.038000 1.602000 
1 1 1  -66    8   12 o   3.8080   1.2700   3.8080   1.2700  ?   ?       ?      ? 
1 1 1  -66    8   13 o   5.9290   0.6184   5.9560   1.0130   5.9030   0.7103 0.5326000E-01 1.237000 
1 1 1  -66    8   14 f   2.5330   0.7202   2.4420   1.0030   2.6250   1.0340 -0.1833000 1.440000 
1 1 1  -66    8   15 o   5.6830   0.5378   6.4620   0.6502   4.9030   0.8570 1.558000 1.076000 
1 1 1  -66    8   16 o   1.7670   0.5898   1.8650   0.8665   1.6700   0.8003 0.1949000 1.180000 
1 1 1  -66    8   17 o   6.5650   0.4964   5.2940   0.8247   7.8360   0.5528 -2.542000 0.9928000 
1 1 1  -66   10    1 o   1.8860   0.6473   2.1750   1.0630   1.5970   0.7386 0.5782000 1.295000 
1 1 1  -66   10    2 o   2.2140   0.6474   1.7240   0.8061   2.7040   1.0130 -0.9798000 1.295000 
1 1 1  -66   10    3 o   2.2070   0.6397   2.2060   0.9555   2.2080   0.8509 -0.1508000E-02 1.279000 
1 1 1  -66   10    4 o   1.8320   0.5813   2.3370   0.9719   1.3270   0.6380 1.010000 1.163000 
1 1 1  -66   10    5 f   4.0300   0.5290   3.7430   0.8023   4.3170   0.6896 -0.5736000 1.058000 
1 1 1  -66   10    6 o   1.8080   0.6059   2.0580   0.9974   1.5590   0.6882 0.4995000 1.212000 
1 1 1  -66   10    7 o   2.5470   0.7793   3.3870   1.3190   1.7060   0.8307 1.681000 1.559000 
1 1 1  -66   10    8 o   3.4320   0.8216   4.5900   1.3070   2.2740   0.9953 2.316000 1.643000 
1 1 1  -66   10    9 o   2.1920   0.7110   2.0640   0.9971   2.3200   1.0140 -0.2562000 1.422000 
1 1 1  -66   10   10 o   2.2600   0.7502   2.8370   1.2580   1.6830   0.8170 1.154000 1.500000 
1 1 1  -66   10   11 o   3.5150   0.7821   2.6100   1.1970   4.4200   1.0070 -1.810000 1.564000 
1 1 1  -66   10   12 o   2.6900   0.8161   3.1900   1.3100   2.1900   0.9736 1.000000 1.632000 
1 1 1  -66   10   13 o   2.4600   0.7209   1.9460   0.9490   2.9730   1.0860 -1.027000 1.442000 
1 1 1  -66   10   14 o   4.2630   0.7131   4.7910   0.9218   3.7340   1.0880 1.057000 1.426000 
1 1 1  -66   10   15 o   6.0930   0.5460   5.7910   0.7967   6.3950   0.7469 -0.6037000 1.092000 
1 1 1  -66   12    1 o   2.1640   0.6115   1.7790   0.8132   2.5480   0.9136 -0.7686000 1.223000 
1 1 1  -66   12    2 o   1.8110   0.5657   1.6180   0.7587   2.0040   0.8394 -0.3861000 1.131000 
1 1 1  -66   12    3 o   1.7660   0.5807   1.6800   0.8067   1.8510   0.8355 -0.1706000 1.161000 
1 1 1  -66   12    4 o   1.7630   0.5495   1.7050   0.7725   1.8220   0.7818 -0.1167000 1.099000 
1 1 1  -66   12    5 o   2.4180   0.6013   2.5720   0.8737   2.2640   0.8265 0.3073000 1.203000 
1 1 1  -66   12    6 o   1.9020   0.5739   2.3240   0.9253   1.4790   0.6791 0.8455000 1.148000 
1 1 1  -66   12    7 o   1.6530   0.5481   1.6590   0.8393   1.6470   0.7053 0.1134000E-01 1.096000 
1 1 1  -66   12    8 o   2.4560   0.7711   2.2120   1.0650   2.7010   1.1150 -0.4895000 1.542000 
1 1 1  -66   12    9 o   1.9430   0.6230   2.1090   1.0240   1.7780   0.7104 0.3312000 1.246000 
1 1 1  -66   12   10 f   1.8790   0.6592   1.8290   0.9072   1.9290   0.9566 -0.9996000E-01 1.318000 
1 1 1  -66   12   11 o   2.6480   0.8431   2.2030   1.0630   3.0920   1.3090 -0.8888000 1.686000 
1 1 1  -66   12   12 o   1.8880   0.9417  ?   ?    1.8880   0.9417      ?      ? 
1 1 1  -65    1    1 o   2.4190   0.6302   1.6950   0.8061   3.1430   0.9690 -1.448000 1.260000 
1 1 1  -65    1    2 o   6.6410   0.3202   6.3360   0.5042   6.9460   0.3950 -0.6103000 0.6405000 
1 1 1  -65    1    3 o   4.5240   0.3225   4.6320   0.4356   4.4150   0.4758 0.2163000 0.6451000 
1 1 1  -65    1    4 o   3.9000   0.3716   3.8350   0.5671   3.9660   0.4802 -0.1312000 0.7431000 
1 1 1  -65    1    5 o   3.8590   0.3046   3.4770   0.4179   4.2410   0.4431 -0.7637000 0.6091000 
1 1 1  -65    1    6 o   3.2140   0.5414   4.1320   0.5966   2.2960   0.9037 1.836000 1.083000 
1 1 1  -65    1    7 o   5.7030   0.2968   6.2420   0.4810   5.1640   0.3479 1.078000 0.5936000 
1 1 1  -65    1    8 o   5.1910   0.4849   5.1910   0.4849  ?   ?       ?      ? 
1 1 1  -65    1   15 o   8.9020   0.3127  ?   ?    8.9020   0.3127      ?      ? 
1 1 1  -65    1   16 o   7.8630   0.2849  ?   ?    7.8630   0.2849      ?      ? 
1 1 1  -65    1   17 o   2.6660   0.6559   3.2670   0.9376   2.0660   0.9174 1.200000 1.312000 
1 1 1  -65    1   18 o   4.6690   0.2714   4.5910   0.3581   4.7470   0.4080 -0.1562000 0.5429000 
1 1 1  -65    1   19 o   2.6150   0.5406   2.1270   0.8253   3.1020   0.6984 -0.9755000 1.081000 
1 1 1  -65    1   20 o   5.3460   0.3562   5.3410   0.5585   5.3510   0.4422 -0.1076000E-01 0.7124000 
1 1 1  -65    3    1 o   2.3120   0.6255   2.6530   0.9556   1.9720   0.8074 0.6807000 1.251000 
1 1 1  -65    3    2 o   4.2600   0.4769   3.7270   0.8267   4.7930   0.4755 -1.066000 0.9537000 
1 1 1  -65    3    3 o   2.1230   0.5690   2.4920   0.8754   1.7540   0.7271 0.7386000 1.138000 
1 1 1  -65    3    4 o   4.8710   0.3477   5.3670   0.4049   4.3740   0.5653 0.9925000 0.6954000 
1 1 1  -65    3    5 o   2.1420   0.6621   2.4780   1.0510   1.8070   0.8060 0.6706000 1.324000 
1 1 1  -65    3    6 o   6.9330   0.4268   6.2400   0.7510   7.6260   0.4057 -1.386000 0.8536000 
1 1 1  -65    3    7 o   6.4060   0.4152   6.4970   0.6942   6.3150   0.4556 0.1823000 0.8304000 
1 1 1  -65    3    8 o   6.3920   0.4136   6.5970   0.6942   6.1870   0.4496 0.4098000 0.8271000 
1 1 1  -65    3    9 o   7.5210   0.3326   7.2880   0.5607   7.7550   0.3581 -0.4675000 0.6653000 
1 1 1  -65    3   10 o   3.9400   0.5637   4.9430   0.7881   2.9370   0.8062 2.006000 1.127000 
1 1 1  -65    3   11 o   3.6640   0.5793   2.9170   1.0090   4.4110   0.5694 -1.494000 1.159000 
1 1 1  -65    3   12 o   4.9610   0.5024   4.2450   0.8989   5.6770   0.4489 -1.432000 1.005000 
1 1 1  -65    3   13 o   5.1810   0.4603   5.0330   0.7813   5.3290   0.4871 -0.2953000 0.9207000 
1 1 1  -65    3   14 o   5.4970   0.4451   5.3360   0.7572   5.6590   0.4681 -0.3229000 0.8902000 
1 1 1  -65    3   15 o   6.9190   0.3602   6.8260   0.6037   7.0130   0.3930 -0.1878000 0.7203000 
1 1 1  -65    3   16 o   2.5040   0.6184   2.1900   0.8590   2.8180   0.8899 -0.6288000 1.237000 
1 1 1  -65    3   17 o   3.1430   0.6001   2.4570   0.9070   3.8290   0.7860 -1.372000 1.200000 
1 1 1  -65    3   18 o   8.0470   0.4090   8.1560   0.5833   7.9380   0.5735 0.2177000 0.8180000 
1 1 1  -65    3   19 o   3.7640   0.5775   2.7570   0.6643   4.7700   0.9448 -2.012000 1.155000 
1 1 1  -65    3   20 o   3.1510   0.5150   2.3990   0.8246   3.9020   0.6172 -1.502000 1.030000 
1 1 1  -65    5    1 o   3.0450   0.5214   1.8010   0.8258   4.2890   0.6369 -2.488000 1.043000 
1 1 1  -65    5    2 o   2.2200   0.5938   1.8890   0.8382   2.5510   0.8414 -0.6618000 1.188000 
1 1 1  -65    5    3 o   1.5860   0.5055   1.7970   0.7821   1.3760   0.6405 0.4211000 1.011000 
1 1 1  -65    5    4 o   2.3920   0.7057   3.0440   1.2130   1.7410   0.7209 1.302000 1.411000 
1 1 1  -65    5    5 o   3.4470   0.7375   2.9220   1.1690   3.9730   0.8995 -1.052000 1.475000 
1 1 1  -65    5    6 o   6.9700   0.4613   7.2810   0.7496   6.6590   0.5379 0.6225000 0.9226000 
1 1 1  -65    5    7 o   4.1600   0.7504   3.4260   1.1750   4.8950   0.9335 -1.468000 1.501000 
1 1 1  -65    5    8 o   3.9530   0.7945   3.9880   1.1560   3.9180   1.0900 0.7004000E-01 1.589000 
1 1 1  -65    5    9 o   5.5340   0.6605   5.0980   1.0750   5.9690   0.7683 -0.8716000 1.321000 
1 1 1  -65    5   10 o   3.5990   0.8015   3.9540   1.1780   3.2440   1.0870 0.7107000 1.603000 
1 1 1  -65    5   11 o   1.6640   0.5723   1.6250   0.7995   1.7030   0.8192 -0.7764000E-01 1.145000 
1 1 1  -65    5   12 o   2.0230   0.6558   2.2930   1.0140   1.7540   0.8325 0.5383000 1.312000 
1 1 1  -65    5   13 o   2.3960   0.7266   2.4120   1.0520   2.3810   1.0030 0.3123000E-01 1.453000 
1 1 1  -65    5   14 o   2.3060   0.7132   2.3220   1.0240   2.2900   0.9925 0.3151000E-01 1.426000 
1 1 1  -65    5   15 o   4.4750   0.6220   3.7480   0.9067   5.2010   0.8517 -1.453000 1.244000 
1 1 1  -65    5   16 o   2.8970   0.6838   2.6750   0.9658   3.1180   0.9682 -0.4433000 1.368000 
1 1 1  -65    5   17 o   3.5350   0.6584   4.1000   0.8614   2.9700   0.9959 1.130000 1.317000 
1 1 1  -65    5   18 o   6.7690   0.3830   6.7780   0.5467   6.7590   0.5365 0.1928000E-01 0.7660000 
1 1 1  -65    5   19 o   5.2070   0.3645   5.7030   0.6170   4.7120   0.3881 0.9904000 0.7290000 
1 1 1  -65    5   20 o   2.2530   1.0340   2.2530   1.0340  ?   ?       ?      ? 
1 1 1  -65    7    1 o   2.3750   0.6161   3.1790   0.9971   1.5710   0.7239 1.607000 1.232000 
1 1 1  -65    7    2 f   2.0570   0.5871   1.8120   0.8196   2.3030   0.8409 -0.4911000 1.174000 
1 1 1  -65    7    3 f   2.3120   0.5940   2.4970   0.8809   2.1270   0.7971 0.3694000 1.188000 
1 1 1  -65    7    4 o   2.5150   0.5193   2.5810   0.7498   2.4490   0.7186 0.1321000 1.039000 
1 1 1  -65    7    5 o   3.1150   0.8244   3.2190   1.2530   3.0110   1.0720 0.2086000 1.649000 
1 1 1  -65    7    6 o   3.0810   0.8044   3.9870   1.2950   2.1760   0.9546 1.812000 1.609000 
1 1 1  -65    7    7 o   2.1730   0.6866   1.9190   0.9342   2.4260   1.0070 -0.5068000 1.373000 
1 1 1  -65    7    8 o   3.6150   0.8136   4.1270   1.2450   3.1040   1.0480 1.023000 1.627000 
1 1 1  -65    7    9 o   7.2800   0.5236   7.1210   0.9043   7.4390   0.5281 -0.3175000 1.047000 
1 1 1  -65    7   10 o   5.0640   0.7274   4.0510   1.3100   6.0780   0.6318 -2.027000 1.455000 
1 1 1  -65    7   11 o   2.8250   0.7711   2.7000   1.1630   2.9490   1.0130 -0.2486000 1.542000 
1 1 1  -65    7   12 o   2.2350   0.7070   2.6630   1.1380   1.8080   0.8393 0.8549000 1.414000 
1 1 1  -65    7   13 o   2.9480   0.7867   3.5830   1.2440   2.3120   0.9636 1.271000 1.573000 
1 1 1  -65    7   14 o   2.5490   0.7042   2.5910   1.0040   2.5060   0.9873 0.8552000E-01 1.408000 
1 1 1  -65    7   15 o   11.150   0.2759   10.750   0.3990   11.550   0.3812 -0.7987000 0.5519000 
1 1 1  -65    7   16 o   2.9150   0.6822   2.0320   0.9115   3.7980   1.0150 -1.766000 1.364000 
1 1 1  -65    7   17 o   5.5420   0.5277   4.8290   0.8326   6.2550   0.6485 -1.425000 1.055000 
1 1 1  -65    7   18 o   6.9790   0.4167   7.3310   0.5648   6.6280   0.6127 0.7036000 0.8333000 
1 1 1  -65    7   19 o   7.0190   0.7312   5.4730   1.2040   8.5660   0.8300 -3.093000 1.462000 
1 1 1  -65    9    1 o   1.7450   0.8267  ?   ?    1.7450   0.8267      ?      ? 
1 1 1  -65    9    2 o   2.3440   0.6341   2.1130   0.9272   2.5760   0.8653 -0.4622000 1.268000 
1 1 1  -65    9    3 f   3.6790   0.5553   4.3540   0.7854   3.0030   0.7854 1.352000 1.111000 
1 1 1  -65    9    4 o   2.5410   0.5353   3.6230   0.8374   1.4600   0.6669 2.163000 1.071000 
1 1 1  -65    9    5 o   1.9390   0.6515   2.5210   1.1360   1.3580   0.6389 1.164000 1.303000 
1 1 1  -65    9    6 o   2.0020   0.6706   1.9430   0.9477   2.0610   0.9491 -0.1178000 1.341000 
1 1 1  -65    9    7 o   4.9280   0.7827   4.0190   1.3530   5.8370   0.7869 -1.818000 1.565000 
1 1 1  -65    9    8 o   6.6250   0.6659   5.3340   1.2070   7.9150   0.5619 -2.581000 1.332000 
1 1 1  -65    9    9 o   3.3930   0.8547   3.6460   1.3070   3.1410   1.1020 0.5051000 1.709000 
1 1 1  -65    9   10 o   2.5320   0.7890   3.0100   1.2700   2.0550   0.9365 0.9551000 1.578000 
1 1 1  -65    9   11 o   3.2570   0.7796   2.5120   1.1570   4.0020   1.0450 -1.490000 1.559000 
1 1 1  -65    9   12 o   3.4540   0.8536   3.4440   1.3190   3.4640   1.0830 -0.1980000E-01 1.707000 
1 1 1  -65    9   13 o   5.3750   0.7255   4.9370   1.2450   5.8120   0.7451 -0.8747000 1.451000 
1 1 1  -65    9   14 o   4.0750   0.7062   4.6320   0.9405   3.5190   1.0540 1.113000 1.412000 
1 1 1  -65    9   15 o   2.3870   0.7042   2.1280   0.9478   2.6460   1.0420 -0.5179000 1.408000 
1 1 1  -65    9   16 o   3.8690   0.6855   4.9850   0.8747   2.7530   1.0560 2.232000 1.371000 
1 1 1  -65    9   17 o   2.9250   0.7166   3.7010   1.0720   2.1490   0.9517 1.551000 1.433000 
1 1 1  -65   11    1 o   2.2440   0.6272   2.4040   0.9182   2.0840   0.8546 0.3200000 1.254000 
1 1 1  -65   11    2 o   2.0560   0.6392   2.4590   1.0150   1.6530   0.7769 0.8062000 1.278000 
1 1 1  -65   11    3 o   5.9270   0.3366   6.2890   0.4606   5.5660   0.4909 0.7226000 0.6731000 
1 1 1  -65   11    4 o   5.6990   0.3272   5.8500   0.4679   5.5470   0.4576 0.3033000 0.6544000 
1 1 1  -65   11    5 o   2.3460   0.6437   2.3910   0.9886   2.3010   0.8248 0.9015000E-01 1.287000 
1 1 1  -65   11    6 o   2.8080   0.9466  ?   ?    2.8080   0.9466      ?      ? 
1 1 1  -65   11    7 f   2.4730   0.7933  ?   ?    2.4730   0.7933      ?      ? 
1 1 1  -65   11    8 o   1.8800   0.8939  ?   ?    1.8800   0.8939      ?      ? 
1 1 1  -65   11    9 o   2.9410   1.1300  ?   ?    2.9410   1.1300      ?      ? 
1 1 1  -65   11   10 o   3.3410   0.8769   3.1500   1.3280   3.5310   1.1460 -0.3811000 1.754000 
1 1 1  -65   11   11 o   2.6160   0.7844   2.3510   1.1200   2.8810   1.0980 -0.5303000 1.569000 
1 1 1  -65   11   12 o   2.2770   0.7439   2.3090   1.1080   2.2450   0.9926 0.6370000E-01 1.488000 
1 1 1  -65   11   13 o   4.6880   0.8181   5.3700   1.2250   4.0070   1.0840 1.363000 1.636000 
1 1 1  -65   11   14 f   3.9270   0.9449   4.2830   1.3050   3.5700   1.3670 0.7125000 1.890000 
1 1 1  -65   11   15 o   2.6200   0.8039   3.3020   1.2910   1.9370   0.9576 1.365000 1.608000 
1 1 1  -65   13    1 o   2.6180   0.6526   2.1320   0.8983   3.1050   0.9469 -0.9727000 1.305000 
1 1 1  -65   13    2 o   1.8260   0.5745   1.6900   0.7852   1.9620   0.8389 -0.2715000 1.149000 
1 1 1  -65   13    3 o   1.9440   0.5897   2.0370   0.8648   1.8500   0.8020 0.1865000 1.179000 
1 1 1  -65   13    4 o   1.5210   0.5249   1.7840   0.8405   1.2580   0.6291 0.5252000 1.050000 
1 1 1  -65   13    5 f   4.4080   0.4633   4.7360   0.6389   4.0800   0.6711 0.6558000 0.9266000 
1 1 1  -65   13    6 o   1.7350   0.5623   2.2050   0.9423   1.2640   0.6137 0.9414000 1.125000 
1 1 1  -65   13    7 o   3.6230   0.5881   3.6440   0.9522   3.6020   0.6904 0.4257000E-01 1.176000 
1 1 1  -65   13    8 o   4.1800   0.5170   3.6170   0.9042   4.7440   0.5018 -1.127000 1.034000 
1 1 1  -65   13    9 o   2.7710   0.7366   2.8300   1.2540   2.7110   0.7734 0.1192000 1.473000 
1 1 1  -65   13   10 o   1.9490   0.6178   2.0160   0.9836   1.8820   0.7480 0.1342000 1.236000 
1 1 1  -65   13   11 o   3.7570   0.5265   3.3330   0.8064   4.1810   0.6772 -0.8474000 1.053000 
1 1 1  -65   13   12 o   4.8190   0.7895   5.7890   0.5070   3.8490   1.4950 1.940000 1.579000 
1 1 1  -64    0    1 o   1.5310   1.0440   1.5310   1.0440   1.5310   1.0440 -0.000000 0.000000 
1 1 1  -64    0    2 o   0.9610   0.6592   0.9610   0.6592   0.9610   0.6592 -0.000000 0.000000 
1 1 1  -64    0    3 o   7.4770   0.2760   7.4770   0.2760   7.4770   0.2760 -0.000000 0.000000 
1 1 1  -64    0    4 o   2.8010   0.7217   2.8010   0.7217   2.8010   0.7217 -0.000000 0.000000 
1 1 1  -64    0    5 o   3.1850   0.6203   3.1850   0.6203   3.1850   0.6203 -0.000000 0.000000 
1 1 1  -64    0    6 o   2.3950   0.5717   2.3950   0.5717   2.3950   0.5717 -0.000000 0.000000 
1 1 1  -64    0   17 o   7.1040   0.3301   7.1040   0.3301   7.1040   0.3301 -0.000000 0.000000 
1 1 1  -64    0   18 o   0.8956   0.6222   0.8956   0.6222   0.8956   0.6222 -0.000000 0.000000 
1 1 1  -64    0   19 o   4.5690   0.4919   4.5690   0.4919   4.5690   0.4919 -0.000000 0.000000 
1 1 1  -64    0   20 o   4.6030   0.5401   4.6030   0.5401   4.6030   0.5401 -0.000000 0.000000 
1 1 1  -64    0   21 o   1.4560   0.9844   1.4560   0.9844   1.4560   0.9844 -0.000000 0.000000 
1 1 1  -64    2    1 o   2.2110   0.6266   2.1880   0.8554   2.2340   0.9159 -0.4657000E-01 1.253000 
1 1 1  -64    2    2 o   3.1610   0.5339   3.3320   0.7684   2.9900   0.7414 0.3417000 1.068000 
1 1 1  -64    2    3 o   4.9580   0.3360   5.0010   0.4627   4.9140   0.4873 0.8725000E-01 0.6719000 
1 1 1  -64    2    4 o   4.7810   0.3109   4.4710   0.4552   5.0910   0.4237 -0.6194000 0.6219000 
1 1 1  -64    2    5 o   2.3760   0.6238   3.3360   1.0870   1.4160   0.6131 1.920000 1.248000 
1 1 1  -64    2    6 o   1.8640   0.5892   2.2580   0.9602   1.4700   0.6831 0.7878000 1.178000 
1 1 1  -64    2    7 o   10.210   0.2564   10.450   0.4299   9.9770   0.2796 0.4695000 0.5129000 
1 1 1  -64    2    8 o   5.2650   0.4511   5.6710   0.6255   4.8590   0.6500 0.8124000 0.9021000 
1 1 1  -64    2    9 o   5.7140   0.4970  ?   ?    5.7140   0.4970      ?      ? 
1 1 1  -64    2   10 o   3.2310   0.5577  ?   ?    3.2310   0.5577      ?      ? 
1 1 1  -64    2   11 o   2.7310   0.6322  ?   ?    2.7310   0.6322      ?      ? 
1 1 1  -64    2   12 o   7.5600   0.2600  ?   ?    7.5600   0.2600      ?      ? 
1 1 1  -64    2   13 o   6.1830   0.3258  ?   ?    6.1830   0.3258      ?      ? 
1 1 1  -64    2   14 o   6.7780   0.3598   6.3790   0.4879   7.1770   0.5291 -0.7984000 0.7197000 
1 1 1  -64    2   15 o   10.100   0.2411   9.9950   0.3947   10.200   0.2770 -0.2054000 0.4822000 
1 1 1  -64    2   16 o   9.0020   0.2273   9.3520   0.3038   8.6510   0.3381 0.7003000 0.4546000 
1 1 1  -64    2   17 o   8.1720   0.2607   8.6780   0.3498   7.6660   0.3867 1.012000 0.5215000 
1 1 1  -64    2   18 o   9.9230   0.2015   9.8760   0.2282   9.9710   0.3322 -0.9474000E-01 0.4030000 
1 1 1  -64    2   19 o   2.1700   0.5666   1.7840   0.7862   2.5560   0.8162 -0.7717000 1.133000 
1 1 1  -64    2   20 f   2.2180   0.5526   2.4920   0.7753   1.9430   0.7877 0.5488000 1.105000 
1 1 1  -64    2   21 o   4.5530   0.3884   4.4400   0.5233   4.6660   0.5741 -0.2252000 0.7768000 
1 1 1  -64    4    1 o   1.9860   0.5782   1.6750   0.7798   2.2970   0.8540 -0.6217000 1.156000 
1 1 1  -64    4    2 o   4.8690   0.4075   4.8440   0.6462   4.8930   0.4967 -0.4923000E-01 0.8150000 
1 1 1  -64    4    3 o   6.3300   0.2806   6.0080   0.4631   6.6510   0.3171 -0.6429000 0.5613000 
1 1 1  -64    4    4 o   1.7190   0.4971   1.4680   0.6456   1.9700   0.7562 -0.5022000 0.9943000 
1 1 1  -64    4    5 o   3.0890   0.8062   3.2540   1.1650   2.9240   1.1150 0.3303000 1.612000 
1 1 1  -64    4    6 o   4.9540   0.6914   5.5610   0.8924   4.3470   1.0560 1.214000 1.383000 
1 1 1  -64    4    7 o   5.7070   0.5083   5.8660   0.8393   5.5480   0.5737 0.3175000 1.017000 
1 1 1  -64    4    8 o   6.0730   0.4931   5.9930   0.8433   6.1540   0.5114 -0.1609000 0.9862000 
1 1 1  -64    4    9 o   12.430   0.2737   12.790   0.4557   12.070   0.3034 0.7190000 0.5475000 
1 1 1  -64    4   10 o   2.5370   0.6911   2.3960   1.0240   2.6790   0.9289 -0.2823000 1.382000 
1 1 1  -64    4   11 o   3.5920   0.6801   4.2480   1.0100   2.9370   0.9107 1.311000 1.360000 
1 1 1  -64    4   12 o   2.3460   0.6776   2.5700   1.0410   2.1230   0.8681 0.4474000 1.355000 
1 1 1  -64    4   13 o   4.9380   0.5728   4.3630   1.0030   5.5130   0.5542 -1.150000 1.146000 
1 1 1  -64    4   14 f   5.9480   0.5250   4.8890   0.9504   7.0070   0.4463 -2.118000 1.050000 
1 1 1  -64    4   15 o   1.8010   0.5609   1.4640   0.7019   2.1380   0.8750 -0.6739000 1.122000 
1 1 1  -64    4   16 o   4.1820   0.7415   4.4120   1.0770   3.9520   1.0200 0.4600000 1.483000 
1 1 1  -64    4   17 o   5.1900   0.6304   5.9160   0.8244   4.4630   0.9539 1.453000 1.261000 
1 1 1  -64    4   18 f   4.4990   0.5560   5.0700   0.6658   3.9280   0.8905 1.142000 1.112000 
1 1 1  -64    4   19 o   4.2580   0.4891   4.4140   0.4724   4.1030   0.8567 0.3110000 0.9783000 
1 1 1  -64    4   20 f   2.7260   0.5763   2.5230   0.8415   2.9280   0.7876 -0.4056000 1.153000 
1 1 1  -64    4   21 o   7.9560   0.2350   8.0520   0.3100   7.8610   0.3533 0.1904000 0.4700000 
1 1 1  -64    6    1 o   3.5120   0.5751   2.6090   0.9769   4.4160   0.6073 -1.808000 1.150000 
1 1 1  -64    6    2 o   2.7550   0.5684   2.0210   0.8690   3.4900   0.7329 -1.470000 1.137000 
1 1 1  -64    6    3 o   8.9360   0.2284   8.8950   0.3564   8.9760   0.2857 -0.8071000E-01 0.4568000 
1 1 1  -64    6    4 o   3.7280   0.4259   3.9950   0.5047   3.4600   0.6862 0.5351000 0.8518000 
1 1 1  -64    6    5 o   1.9920   0.6596   2.1690   1.0090   1.8150   0.8499 0.3543000 1.319000 
1 1 1  -64    6    6 o   2.8700   0.7836   3.0010   1.2030   2.7390   1.0040 0.2623000 1.567000 
1 1 1  -64    6    7 o   2.9740   1.1880   2.9740   1.1880  ?   ?       ?      ? 
1 1 1  -64    6    8 o   2.6320   0.7434   3.3160   1.1970   1.9480   0.8819 1.368000 1.487000 
1 1 1  -64    6    9 o   2.8520   0.7728   2.7980   1.1710   2.9060   1.0090 -0.1084000 1.546000 
1 1 1  -64    6   10 o   4.8840   0.6525   5.2930   1.0140   4.4750   0.8216 0.8172000 1.305000 
1 1 1  -64    6   11 o   2.4310   0.6996   3.3530   1.1930   1.5090   0.7313 1.845000 1.399000 
1 1 1  -64    6   12 o   3.3380   0.7470   3.0220   1.1630   3.6550   0.9376 -0.6326000 1.494000 
1 1 1  -64    6   13 o   7.3160   0.4322   7.7570   0.6925   6.8760   0.5172 0.8810000 0.8643000 
1 1 1  -64    6   14 o   4.7420   0.5451   4.4520   0.8295   5.0330   0.7076 -0.5809000 1.090000 
1 1 1  -64    6   15 o   6.2860   0.4200   6.3790   0.5753   6.1930   0.6121 0.1859000 0.8401000 
1 1 1  -64    6   16 o   1.7200   0.5707   1.6990   0.7995   1.7400   0.8146 -0.4144000E-01 1.141000 
1 1 1  -64    6   17 o   2.6780   0.7109   2.7720   1.0090   2.5840   1.0020 0.1887000 1.422000 
1 1 1  -64    6   18 o   4.2320   0.6361   3.4920   1.0050   4.9710   0.7802 -1.478000 1.272000 
1 1 1  -64    6   19 o   2.7670   0.5198   2.6700   0.7665   2.8630   0.7023 -0.1927000 1.040000 
1 1 1  -64    6   20 o   1.4810   0.4822   1.3560   0.6488   1.6060   0.7135 -0.2498000 0.9644000 
1 1 1  -64    8    1 o   2.5040   0.6894   2.5570   0.9967   2.4510   0.9527 0.1059000 1.379000 
1 1 1  -64    8    2 o   2.8710   0.6869   2.7240   0.9656   3.0180   0.9772 -0.2938000 1.374000 
1 1 1  -64    8    3 o   1.8030   0.5376   1.5150   0.7235   2.0910   0.7953 -0.5767000 1.075000 
1 1 1  -64    8    4 o   2.5700   0.6036   2.4900   0.8397   2.6510   0.8673 -0.1605000 1.207000 
1 1 1  -64    8    5 o   3.2770   0.5802   2.2630   1.0550   4.2910   0.4824 -2.029000 1.160000 
1 1 1  -64    8    6 o   2.3200   0.7334   2.2060   1.0340   2.4340   1.0400 -0.2281000 1.467000 
1 1 1  -64    8    7 o   3.6410   0.8539   4.4050   1.3190   2.8780   1.0850 1.527000 1.708000 
1 1 1  -64    8    8 o   3.9160   0.8424   4.3000   1.2960   3.5320   1.0760 0.7676000 1.685000 
1 1 1  -64    8    9 o   3.2770   0.8343   3.3520   1.2700   3.2020   1.0820 0.1506000 1.669000 
1 1 1  -64    8   10 o   7.6760   0.5515   7.6830   0.9488   7.6690   0.5627 0.1449000E-01 1.103000 
1 1 1  -64    8   11 o   2.4950   0.7519   2.3940   1.0980   2.5970   1.0270 -0.2030000 1.504000 
1 1 1  -64    8   12 o   3.0180   0.7583   2.4850   1.1210   3.5500   1.0210 -1.065000 1.517000 
1 1 1  -64    8   13 o   4.6530   0.7626   3.9150   1.3110   5.3910   0.7796 -1.476000 1.525000 
1 1 1  -64    8   14 o   2.4890   0.6897   3.0730   1.0600   1.9040   0.8832 1.169000 1.379000 
1 1 1  -64    8   15 o   5.6060   0.5443   6.2300   0.6825   4.9820   0.8481 1.248000 1.089000 
1 1 1  -64    8   16 o   3.7200   0.7091   4.4190   0.9291   3.0210   1.0720 1.398000 1.418000 
1 1 1  -64    8   17 o   2.7910   0.7451   2.7480   1.0440   2.8330   1.0630 -0.8583000E-01 1.490000 
1 1 1  -64    8   18 o   6.2740   0.3749   6.1910   0.6880   6.3580   0.2981 -0.1663000 0.7498000 
1 1 1  -64    8   19 o   7.4820   0.2084   7.5130   0.2476   7.4520   0.3352 0.6137000E-01 0.4168000 
1 1 1  -64   10    1 o   1.8160   0.5936   1.7000   0.8599   1.9320   0.8187 -0.2318000 1.187000 
1 1 1  -64   10    2 o   2.3080   0.6815   2.5650   1.0230   2.0500   0.9005 0.5150000 1.363000 
1 1 1  -64   10    3 o   2.0150   0.6155   2.0370   0.9192   1.9930   0.8188 0.4404000E-01 1.231000 
1 1 1  -64   10    4 o   5.4690   0.4214   5.5370   0.7178   5.4000   0.4418 0.1370000 0.8429000 
1 1 1  -64   10    5 o   5.1140   0.3620   5.5250   0.5627   4.7030   0.4557 0.8219000 0.7241000 
1 1 1  -64   10    6 o   1.6170   0.5617   1.8890   0.9295   1.3440   0.6309 0.5457000 1.123000 
1 1 1  -64   10    7 o   3.4280   0.8525   3.1410   1.2830   3.7140   1.1220 -0.5728000 1.705000 
1 1 1  -64   10    8 o   2.3700   0.7559   2.6630   1.1810   2.0780   0.9434 0.5850000 1.512000 
1 1 1  -64   10    9 o   3.5230   0.8423   3.2530   1.2790   3.7940   1.0960 -0.5412000 1.685000 
1 1 1  -64   10   10 o   2.1000   0.6967   2.0610   1.0040   2.1390   0.9657 -0.7837000E-01 1.393000 
1 1 1  -64   10   11 o   2.2250   0.7312   2.3270   1.1050   2.1230   0.9583 0.2035000 1.462000 
1 1 1  -64   10   12 o   3.6880   0.8802   4.0160   1.3730   3.3600   1.1020 0.6568000 1.760000 
1 1 1  -64   10   13 o   2.0170   0.6503   2.1900   0.9679   1.8430   0.8689 0.3467000 1.301000 
1 1 1  -64   10   14 o   3.4490   0.7363   2.6780   1.0630   4.2210   1.0190 -1.542000 1.473000 
1 1 1  -64   10   15 o   2.3230   0.7039   2.5570   1.0420   2.0880   0.9465 0.4689000 1.408000 
1 1 1  -64   10   16 o   6.5180   0.4910   6.8800   0.6551   6.1550   0.7315 0.7252000 0.9820000 
1 1 1  -64   10   17 o   2.8440   0.6182   2.3090   1.0680   3.3790   0.6237 -1.070000 1.236000 
1 1 1  -64   12    1 o   1.6670   0.5462   1.6180   0.7625   1.7170   0.7822 -0.9970000E-01 1.092000 
1 1 1  -64   12    2 o   2.9540   0.6113   2.2330   0.9048   3.6750   0.8221 -1.442000 1.223000 
1 1 1  -64   12    3 o   4.9420   0.5602   5.0610   0.8502   4.8230   0.7296 0.2375000 1.120000 
1 1 1  -64   12    4 o   6.4490   0.3161   6.6110   0.4566   6.2870   0.4372 0.3240000 0.6321000 
1 1 1  -64   12    5 o   4.1900   0.4557   4.2020   0.6647   4.1780   0.6236 0.2361000E-01 0.9115000 
1 1 1  -64   12    6 o   6.2450   0.3386   6.1710   0.5576   6.3180   0.3842 -0.1463000 0.6771000 
1 1 1  -64   12    7 o   2.8910   0.7473   2.9400   1.2930   2.8410   0.7501 0.9924000E-01 1.495000 
1 1 1  -64   12    8 o   2.6200   0.7793   2.8130   1.2440   2.4270   0.9384 0.3857000 1.559000 
1 1 1  -64   12    9 f   3.2250   0.9544   3.3780   1.3630   3.0710   1.3360 0.3070000 1.909000 
1 1 1  -64   12   10 o   2.0070   0.6529   2.2440   1.0730   1.7700   0.7442 0.4741000 1.306000 
1 1 1  -64   12   11 o   7.3690   0.3041  ?   ?    7.3690   0.3041      ?      ? 
1 1 1  -64   12   12 o   2.9190   0.5999   2.3520   1.0360   3.4860   0.6061 -1.134000 1.200000 
1 1 1  -64   12   13 o   2.8690   0.6555   2.6940   1.0970   3.0430   0.7178 -0.3483000 1.311000 
1 1 1  -64   12   14 o   6.0170   0.2593   6.0650   0.3501   5.9680   0.3827 0.9641000E-01 0.5187000 
1 1 1  -64   12   15 o   1.6990   0.4958   1.2590   0.5826   2.1390   0.8024 -0.8798000 0.9916000 
1 1 1  -64   14    1 o   3.0270   0.6839   2.8000   0.9921   3.2540   0.9417 -0.4534000 1.368000 
1 1 1  -64   14    2 o   1.9070   0.5964   1.7670   0.8127   2.0480   0.8730 -0.2812000 1.193000 
1 1 1  -64   14    3 o   3.5120   0.6164   4.1780   0.8133   2.8470   0.9266 1.331000 1.233000 
1 1 1  -64   14    4 o   2.1730   0.6119   2.6720   0.9612   1.6740   0.7574 0.9975000 1.224000 
1 1 1  -64   14    5 o   2.1400   0.6269   2.0020   0.9174   2.2780   0.8546 -0.2755000 1.254000 
1 1 1  -64   14    6 o   2.5290   0.6737   2.1620   0.9554   2.8970   0.9500 -0.7356000 1.347000 
1 1 1  -64   14    7 f   1.7730   0.5657   1.6790   0.8058   1.8670   0.7941 -0.1875000 1.131000 
1 1 1  -64   14    8 o   2.0150   0.6151   2.4040   0.9862   1.6260   0.7352 0.7782000 1.230000 
1 1 1  -64   14    9 o   2.4540   0.6534   2.9500   1.0290   1.9580   0.8061 0.9918000 1.307000 
1 1 1  -64   14   10 o   2.9390   0.6518   3.2470   0.9930   2.6320   0.8447 0.6152000 1.304000 
1 1 1  -64   14   11 o   2.1250   0.6131   2.7400   1.0100   1.5090   0.6960 1.232000 1.226000 
1 1 1  -63    1    1 f   3.0140   0.6748   2.6230   0.9970   3.4050   0.9096 -0.7822000 1.350000 
1 1 1  -63    1    2 o   2.4690   0.6199   2.4870   0.9080   2.4500   0.8442 0.3660000E-01 1.240000 
1 1 1  -63    1    3 o   5.9390   0.2398   5.8450   0.3413   6.0330   0.3371 -0.1881000 0.4797000 
1 1 1  -63    1    4 o   5.6300   0.2442   5.5310   0.3712   5.7300   0.3175 -0.1984000 0.4884000 
1 1 1  -63    1    5 o   3.1980   0.3638   3.3880   0.4039   3.0080   0.6052 0.3793000 0.7276000 
1 1 1  -63    1    6 o   3.1250   0.5740   3.0870   0.7265   3.1630   0.8888 -0.7621000E-01 1.148000 
1 1 1  -63    1    7 o   6.1300   0.2746   5.9880   0.4671   6.2720   0.2888 -0.2835000 0.5492000 
1 1 1  -63    1    8 o   11.320   0.1906   11.570   0.2919   11.060   0.2454 0.5086000 0.3813000 
1 1 1  -63    1    9 o   3.3190   0.5883   3.3190   0.5883  ?   ?       ?      ? 
1 1 1  -63    1   13 o   2.2340   0.7134   2.2340   0.7134  ?   ?       ?      ? 
1 1 1  -63    1   14 o   7.2070   0.2629   7.2240   0.3699   7.1910   0.3736 0.3314000E-01 0.5258000 
1 1 1  -63    1   15 o   8.1870   0.2643  ?   ?    8.1870   0.2643      ?      ? 
1 1 1  -63    1   16 o   13.940   0.2197   14.080   0.2396   13.790   0.3683 0.2933000 0.4394000 
1 1 1  -63    1   17 o   11.010   0.1764   10.870   0.2080   11.140   0.2849 -0.2745000 0.3528000 
1 1 1  -63    1   18 f   8.2030   0.1962   7.8130   0.2925   8.5930   0.2617 -0.7800000 0.3924000 
1 1 1  -63    1   19 o   11.160   0.1601   11.210   0.2112   11.110   0.2406 0.9502000E-01 0.3202000 
1 1 1  -63    1   20 o   5.6530   0.3406   5.1500   0.4909   6.1550   0.4724 -1.005000 0.6813000 
1 1 1  -63    1   21 o   6.3740   0.3537   6.5210   0.4268   6.2260   0.5641 0.2952000 0.7074000 
1 1 1  -63    1   22 o   2.8190   0.5834   2.4630   0.8218   3.1750   0.8282 -0.7123000 1.167000 
1 1 1  -63    3    1 o   2.0430   0.5915   1.9480   0.8558   2.1370   0.8167 -0.1890000 1.183000 
1 1 1  -63    3    2 o   2.1990   0.5803   2.0830   0.8575   2.3150   0.7821 -0.2322000 1.161000 
1 1 1  -63    3    3 o   6.5470   0.2682   6.4000   0.4347   6.6940   0.3143 -0.2940000 0.5364000 
1 1 1  -63    3    4 o   1.7010   0.4578   1.2910   0.5817   2.1110   0.7071 -0.8200000 0.9156000 
1 1 1  -63    3    5 o   2.4680   0.6601   3.4990   1.1250   1.4380   0.6903 2.061000 1.320000 
1 1 1  -63    3    6 o   2.7680   0.6930   2.7290   1.0630   2.8070   0.8898 -0.7793000E-01 1.386000 
1 1 1  -63    3    7 o   6.1400   0.4122   6.4030   0.6739   5.8770   0.4748 0.5256000 0.8244000 
1 1 1  -63    3    8 o   3.3610   0.6610   3.1650   1.0850   3.5560   0.7548 -0.3904000 1.322000 
1 1 1  -63    3    9 o   7.4140   0.3272   7.5960   0.5366   7.2320   0.3747 0.3643000 0.6545000 
1 1 1  -63    3   10 o   3.7920   0.5832   3.2500   1.0040   4.3350   0.5942 -1.085000 1.166000 
1 1 1  -63    3   11 o   3.3200   0.6374   3.4680   0.9727   3.1720   0.8239 0.2966000 1.275000 
1 1 1  -63    3   12 o   8.9410   0.2762   8.9680   0.4544   8.9140   0.3141 0.5336000E-01 0.5524000 
1 1 1  -63    3   13 o   4.1380   0.5797   3.5670   1.0150   4.7080   0.5608 -1.140000 1.159000 
1 1 1  -63    3   14 o   6.2050   0.3945   6.2490   0.6427   6.1620   0.4578 0.8723000E-01 0.7891000 
1 1 1  -63    3   15 o   3.7100   0.5352   3.1370   0.8306   4.2830   0.6752 -1.146000 1.070000 
1 1 1  -63    3   16 o   4.0950   0.5259   4.6880   0.6262   3.5010   0.8450 1.187000 1.052000 
1 1 1  -63    3   17 o   4.0580   0.6314   3.3670   1.0920   4.7480   0.6343 -1.381000 1.263000 
1 1 1  -63    3   18 o   3.2380   0.7360   2.6010   1.0500   3.8760   1.0320 -1.275000 1.472000 
1 1 1  -63    3   19 o   7.7620   0.2242   7.8860   0.3171   7.6390   0.3170 0.2464000 0.4484000 
1 1 1  -63    3   20 o   4.3690   0.3887   4.4330   0.5259   4.3060   0.5724 0.1270000 0.7773000 
1 1 1  -63    3   21 o   1.5710   0.5039   1.4540   0.6750   1.6890   0.7483 -0.2349000 1.008000 
1 1 1  -63    3   22 o   9.1190   0.2860   9.2690   0.3381   8.9700   0.4615 0.2989000 0.5721000 
1 1 1  -63    5    1 o   2.1500   0.6113   2.4760   0.9413   1.8250   0.7801 0.6507000 1.223000 
1 1 1  -63    5    2 o   2.1930   0.5993   2.3130   0.8915   2.0730   0.8012 0.2403000 1.199000 
1 1 1  -63    5    3 f   3.3970   0.5091   2.6650   0.8698   4.1290   0.5293 -1.464000 1.018000 
1 1 1  -63    5    4 o   7.5490   0.3936   8.1890   0.7148   6.9090   0.3295 1.280000 0.7871000 
1 1 1  -63    5    5 o   2.7400   0.7508   2.7850   1.1370   2.6950   0.9809 0.9080000E-01 1.502000 
1 1 1  -63    5    6 o   3.2360   0.7653   3.1840   1.1730   3.2880   0.9837 -0.1049000 1.531000 
1 1 1  -63    5    7 o   6.6050   0.5347   6.5190   0.7940   6.6920   0.7164 -0.1723000 1.069000 
1 1 1  -63    5    8 o   2.1980   0.6924   1.8850   0.8956   2.5110   1.0560 -0.6256000 1.385000 
1 1 1  -63    5    9 o   2.7230   0.7790   3.0210   1.1670   2.4250   1.0330 0.5961000 1.558000 
1 1 1  -63    5   10 o   3.4050   0.7906   4.0400   1.1730   2.7710   1.0610 1.269000 1.581000 
1 1 1  -63    5   11 o   3.7750   0.7749   4.0750   1.1090   3.4760   1.0830 0.5994000 1.550000 
1 1 1  -63    5   12 o   5.7210   0.5677   5.5770   0.8760   5.8650   0.7224 -0.2873000 1.135000 
1 1 1  -63    5   13 o   3.0350   0.6570   1.7890   0.8607   4.2810   0.9930 -2.492000 1.314000 
1 1 1  -63    5   14 f   2.7190   0.7414   2.3410   1.0240   3.0970   1.0730 -0.7564000 1.483000 
1 1 1  -63    5   15 o   2.0630   0.6158   1.9360   0.8519   2.1900   0.8894 -0.2539000 1.232000 
1 1 1  -63    5   16 o   2.2380   0.6462   2.3130   0.9343   2.1630   0.8930 0.1505000 1.292000 
1 1 1  -63    5   17 o   5.6830   0.4475   6.1990   0.5791   5.1680   0.6825 1.031000 0.8951000 
1 1 1  -63    5   18 o   2.7230   0.6781   2.2910   0.9333   3.1550   0.9840 -0.8635000 1.356000 
1 1 1  -63    5   19 o   4.0980   0.3524   4.3300   0.4108   3.8670   0.5726 0.4630000 0.7047000 
1 1 1  -63    5   20 o   5.8530   0.2870   5.7430   0.3860   5.9630   0.4247 -0.2206000 0.5739000 
1 1 1  -63    5   21 o   2.8850   0.5583   3.3680   0.7123   2.4030   0.8599 0.9651000 1.117000 
1 1 1  -63    7    1 o   2.4210   0.5739   1.7200   0.8015   3.1210   0.8216 -1.401000 1.148000 
1 1 1  -63    7    2 o   2.6170   0.5923   2.0740   0.8798   3.1600   0.7933 -1.086000 1.185000 
1 1 1  -63    7    3 o   3.6370   0.5149   3.8940   0.7583   3.3790   0.6968 0.5151000 1.030000 
1 1 1  -63    7    4 f   6.1010   0.2799   6.2390   0.3765   5.9630   0.4141 0.2755000 0.5597000 
1 1 1  -63    7    5 o   2.7750   0.7881   3.3220   1.2470   2.2280   0.9633 1.094000 1.576000 
1 1 1  -63    7    6 o   7.6880   0.5048   7.2010   0.8451   8.1740   0.5524 -0.9728000 1.010000 
1 1 1  -63    7    7 o   6.3840   0.5799   6.3040   0.9512   6.4650   0.6636 -0.1604000 1.160000 
1 1 1  -63    7    8 o   2.2120   0.6880   1.9430   0.9374   2.4810   1.0070 -0.5384000 1.376000 
1 1 1  -63    7    9 o   3.1010   0.8176   3.1700   1.2540   3.0320   1.0490 0.1378000 1.635000 
1 1 1  -63    7   10 o   6.6840   0.5562   6.5900   0.9566   6.7780   0.5676 -0.1880000 1.112000 
1 1 1  -63    7   11 o   5.2380   0.6669   5.2610   1.1130   5.2150   0.7342 0.4564000E-01 1.334000 
1 1 1  -63    7   12 o   4.0260   0.7669   3.7320   1.2500   4.3210   0.8881 -0.5891000 1.534000 
1 1 1  -63    7   13 o   3.5930   0.6964   3.4750   1.0050   3.7120   0.9641 -0.2369000 1.393000 
1 1 1  -63    7   14 o   5.8970   0.4771   6.9000   0.5561   4.8940   0.7754 2.006000 0.9542000 
1 1 1  -63    7   15 o   1.6920   0.5674   1.5200   0.7431   1.8640   0.8576 -0.3436000 1.135000 
1 1 1  -63    7   16 f   3.6930   0.7248   3.5520   1.0370   3.8330   1.0130 -0.2812000 1.450000 
1 1 1  -63    7   17 o   2.7010   0.7089   2.1190   0.9312   3.2830   1.0690 -1.164000 1.418000 
1 1 1  -63    7   18 o   2.3650   0.6262   2.6500   1.0220   2.0800   0.7233 0.5699000 1.252000 
1 1 1  -63    7   19 o   3.5840   0.4778   4.1650   0.5765   3.0040   0.7620 1.161000 0.9555000 
1 1 1  -63    7   20 o   1.7300   0.5265   1.6500   0.7146   1.8100   0.7735 -0.1604000 1.053000 
1 1 1  -63    9    1 o   1.5950   0.7718  ?   ?    1.5950   0.7718      ?      ? 
1 1 1  -63    9    2 o   2.4500   0.6464   2.7170   0.9783   2.1830   0.8451 0.5338000 1.293000 
1 1 1  -63    9    3 o   5.4560   0.3937   5.3870   0.6433   5.5250   0.4541 -0.1386000 0.7874000 
1 1 1  -63    9    4 o   4.5060   0.4475   4.1950   0.7543   4.8170   0.4819 -0.6218000 0.8950000 
1 1 1  -63    9    5 o   3.1900   0.5560   3.1250   0.7780   3.2550   0.7945 -0.1302000 1.112000 
1 1 1  -63    9    6 o   2.6490   0.7970   3.1360   1.2650   2.1620   0.9702 0.9743000 1.594000 
1 1 1  -63    9    7 o   9.1580   0.4772   8.2730   0.8157   10.040   0.4957 -1.771000 0.9545000 
1 1 1  -63    9    8 o   5.7720   0.6637   6.1090   1.0380   5.4350   0.8272 0.6744000 1.327000 
1 1 1  -63    9    9 o   6.4710   0.5935   7.3030   0.8847   5.6390   0.7914 1.664000 1.187000 
1 1 1  -63    9   10 f   6.2300   0.6746   6.2080   1.1440   6.2520   0.7154 -0.4392000E-01 1.349000 
1 1 1  -63    9   11 o   8.8850   0.4705   9.1900   0.7761   8.5800   0.5321 0.6098000 0.9410000 
1 1 1  -63    9   12 o   1.9760   0.6683   2.2610   1.0630   1.6910   0.8108 0.5698000 1.337000 
1 1 1  -63    9   13 o   5.7600   0.5339   6.0770   0.7065   5.4420   0.8006 0.6346000 1.068000 
1 1 1  -63    9   14 o   2.1600   0.6729   1.9930   0.9044   2.3280   0.9966 -0.3346000 1.346000 
1 1 1  -63    9   15 o   2.3040   0.6981   2.4120   1.0120   2.1950   0.9617 0.2174000 1.396000 
1 1 1  -63    9   16 o   2.7420   0.7459   2.6370   1.0570   2.8480   1.0530 -0.2111000 1.492000 
1 1 1  -63    9   17 o   2.9970   0.5956   2.6400   1.0440   3.3550   0.5732 -0.7149000 1.191000 
1 1 1  -63    9   18 o   5.4650   0.2919   6.0120   0.2951   4.9170   0.5037 1.094000 0.5838000 
1 1 1  -63    9   19 o   5.4850   0.2793   5.7050   0.3883   5.2640   0.4017 0.4402000 0.5587000 
1 1 1  -63   11    1 f   2.9990   0.6103   3.7070   0.8444   2.2910   0.8814 1.417000 1.221000 
1 1 1  -63   11    2 o   1.5080   0.5215   1.6830   0.8085   1.3320   0.6591 0.3509000 1.043000 
1 1 1  -63   11    3 o   5.9070   0.3411   6.3220   0.4796   5.4930   0.4852 0.8298000 0.6822000 
1 1 1  -63   11    4 o   4.6140   0.4326   4.4770   0.6407   4.7500   0.5815 -0.2725000 0.8652000 
1 1 1  -63   11    5 o   2.1270   0.5871   2.3590   0.8722   1.8940   0.7860 0.4645000 1.174000 
1 1 1  -63   11    6 o   1.3380   0.6334  ?   ?    1.3380   0.6334      ?      ? 
1 1 1  -63   11    7 o   2.1030   0.5610   1.3550   0.6511   2.8500   0.9138 -1.495000 1.122000 
1 1 1  -63   11    8 o   4.4820   0.4679  ?   ?    4.4820   0.4679      ?      ? 
1 1 1  -63   11    9 o   7.4070   0.6032   7.2270   1.0050   7.5860   0.6679 -0.3584000 1.206000 
1 1 1  -63   11   10 o   6.3790   0.6796   6.8890   1.0660   5.8700   0.8435 1.019000 1.359000 
1 1 1  -63   11   11 o   2.6240   0.8092   2.5800   1.1990   2.6680   1.0870 -0.8847000E-01 1.618000 
1 1 1  -63   11   12 o   3.6990   0.7864   3.3210   1.1240   4.0760   1.1000 -0.7549000 1.573000 
1 1 1  -63   11   13 o   5.9550   0.7108   5.3330   1.2200   6.5770   0.7298 -1.244000 1.422000 
1 1 1  -63   11   14 o   3.2310   0.9197   3.0750   1.2440   3.3870   1.3550 -0.3116000 1.839000 
1 1 1  -63   11   15 o   4.4030   0.7024   4.1290   1.3160   4.6780   0.4906 -0.5489000 1.405000 
1 1 1  -63   11   16 o   4.4370   0.3606   4.4760   0.4093   4.3990   0.5939 0.7617000E-01 0.7212000 
1 1 1  -63   11   17 o   1.7910   0.5387   2.0570   0.8376   1.5250   0.6777 0.5324000 1.077000 
1 1 1  -63   13    1 o   1.8020   0.5767   2.0530   0.8887   1.5500   0.7353 0.5025000 1.153000 
1 1 1  -63   13    2 o   5.2120   0.4472   4.9430   0.6980   5.4810   0.5593 -0.5377000 0.8944000 
1 1 1  -63   13    3 o   2.8360   0.6362   2.5160   0.9387   3.1560   0.8590 -0.6394000 1.272000 
1 1 1  -63   13    4 o   4.3070   0.6338   4.4760   0.9572   4.1390   0.8310 0.3367000 1.268000 
1 1 1  -63   13    5 o   3.4780   0.6080   2.8630   0.9012   4.0920   0.8163 -1.229000 1.216000 
1 1 1  -63   13    6 o   2.0140   0.6108   2.1310   0.9333   1.8960   0.7882 0.2356000 1.222000 
1 1 1  -63   13    7 f   5.3690   0.4189   5.4270   0.6960   5.3100   0.4663 0.1169000 0.8378000 
1 1 1  -63   13    8 o   1.9660   0.5732   2.6580   0.9689   1.2750   0.6128 1.383000 1.146000 
1 1 1  -63   13    9 o   4.8670   0.4417   4.8920   0.7292   4.8430   0.4986 0.4840000E-01 0.8834000 
1 1 1  -63   13   10 o   5.7840   0.3576   6.0170   0.5610   5.5510   0.4435 0.4660000 0.7151000 
1 1 1  -63   13   11 o   3.4070   0.6401   2.4640   1.1700   4.3500   0.5197 -1.886000 1.280000 
1 1 1  -63   13   12 o   7.4490   0.3829   7.7550   0.6926   7.1430   0.3268 0.6111000 0.7658000 
1 1 1  -63   13   13 o   2.2610   0.5125   1.5450   0.7203   2.9770   0.7291 -1.432000 1.025000 
1 1 1  -63   13   14 o   1.5920   0.4942   1.3240   0.6475   1.8600   0.7468 -0.5362000 0.9884000 
1 1 1  -63   13   15 o   3.3300   0.5025   4.1830   0.6057   2.4770   0.8020 1.706000 1.005000 
1 1 1  -63   15    1 f   3.4750   0.6749   3.2380   1.0180   3.7130   0.8867 -0.4744000 1.350000 
1 1 1  -63   15    2 o   1.5690   0.5278   1.7300   0.8053   1.4090   0.6823 0.3214000 1.056000 
1 1 1  -63   15    3 o   4.1080   0.5720   4.5180   0.7970   3.6980   0.8206 0.8198000 1.144000 
1 1 1  -63   15    4 o   3.1340   0.6537   3.7930   0.9251   2.4740   0.9239 1.319000 1.307000 
1 1 1  -63   15    5 o   2.2030   0.6354   2.2480   0.9208   2.1570   0.8760 0.9122000E-01 1.271000 
1 1 1  -63   15    6 o   2.1770   0.6215   1.8980   0.8502   2.4560   0.9068 -0.5580000 1.243000 
1 1 1  -63   15    7 o   2.8330   0.6992   2.7170   1.0580   2.9500   0.9140 -0.2328000 1.398000 
1 1 1  -63   15    8 o   3.9040   0.6755   3.4400   1.1010   4.3690   0.7832 -0.9281000 1.351000 
1 1 1  -63   15    9 o   1.5670   0.5351   1.5920   0.7766   1.5410   0.7364 0.5097000E-01 1.070000 
1 1 1  -63   15   10 o   6.7320   0.3997   6.3670   0.6313   7.0970   0.4903 -0.7308000 0.7994000 
1 1 1  -63   15   11 o   5.2010   0.6359   4.3460   1.0770   6.0570   0.6761 -1.711000 1.272000 
1 1 1  -62    0    1 o   3.7520   1.4280   3.7520   1.4280   3.7520   1.4280 -0.000000 0.000000 
1 1 1  -62    0    2 o   3.2160   0.8231   3.2160   0.8231   3.2160   0.8231 -0.000000 0.000000 
1 1 1  -62    0    3 o   1.2900   0.7797   1.2900   0.7797   1.2900   0.7797 -0.000000 0.000000 
1 1 1  -62    0    4 o   7.0820   0.2522   7.0820   0.2522   7.0820   0.2522 -0.000000 0.000000 
1 1 1  -62    0    5 o   5.7890   0.3553   5.7890   0.3553   5.7890   0.3553 -0.000000 0.000000 
1 1 1  -62    0    6 o   3.9900   0.3312   3.9900   0.3312   3.9900   0.3312 -0.000000 0.000000 
1 1 1  -62    0    7 o   5.4430   0.3267   5.4430   0.3267   5.4430   0.3267 -0.000000 0.000000 
1 1 1  -62    0   16 o   15.800   0.1814   15.800   0.1814   15.800   0.1814 -0.000000 0.000000 
1 1 1  -62    0   17 o   11.900   0.2593   11.900   0.2593   11.900   0.2593 -0.000000 0.000000 
1 1 1  -62    0   18 o   5.3110   0.4115   5.3110   0.4115   5.3110   0.4115 -0.000000 0.000000 
1 1 1  -62    0   19 o   1.1230   0.7459   1.1230   0.7459   1.1230   0.7459 -0.000000 0.000000 
1 1 1  -62    0   20 o   12.160   0.4485   12.160   0.4485   12.160   0.4485 -0.000000 0.000000 
1 1 1  -62    0   21 o   1.2800   0.8406   1.2800   0.8406   1.2800   0.8406 -0.000000 0.000000 
1 1 1  -62    0   22 o   2.0860   1.0580   2.0860   1.0580   2.0860   1.0580 -0.000000 0.000000 
1 1 1  -62    0   23 o   0.9594   0.6809   0.9594   0.6809   0.9594   0.6809 -0.000000 0.000000 
1 1 1  -62    2    1 o   5.4450   0.3477   5.5180   0.4905   5.3730   0.4930 0.1456000 0.6955000 
1 1 1  -62    2    2 o   6.0110   0.3660   6.6520   0.5556   5.3690   0.4766 1.283000 0.7320000 
1 1 1  -62    2    3 o   4.4890   0.3581   4.2860   0.5134   4.6910   0.4994 -0.4052000 0.7162000 
1 1 1  -62    2    4 o   2.9950   0.4639   3.1180   0.5971   2.8710   0.7101 0.2471000 0.9278000 
1 1 1  -62    2    5 o   2.0340   0.6022   2.7090   1.0450   1.3590   0.5981 1.350000 1.204000 
1 1 1  -62    2    6 o   9.5630   0.2708   9.6260   0.4496   9.5000   0.3019 0.1262000 0.5416000 
1 1 1  -62    2    7 o   2.4720   0.6514   2.7760   1.0230   2.1680   0.8066 0.6085000 1.303000 
1 1 1  -62    2    8 o   12.510   0.2462   13.100   0.3549   11.910   0.3414 1.186000 0.4925000 
1 1 1  -62    2    9 o   4.8080   0.6056  ?   ?    4.8080   0.6056      ?      ? 
1 1 1  -62    2   10 o   10.030   0.3338  ?   ?    10.030   0.3338      ?      ? 
1 1 1  -62    2   11 o   3.7400   0.4822  ?   ?    3.7400   0.4822      ?      ? 
1 1 1  -62    2   12 o   2.7100   0.9512  ?   ?    2.7100   0.9512      ?      ? 
1 1 1  -62    2   13 o   4.4710   0.5333   4.3980   0.6767   4.5440   0.8246 -0.1458000 1.067000 
1 1 1  -62    2   14 o   7.1630   0.3006   6.9950   0.4898   7.3320   0.3485 -0.3367000 0.6011000 
1 1 1  -62    2   15 o   6.0320   0.2982   5.9550   0.4128   6.1090   0.4304 -0.1542000 0.5964000 
1 1 1  -62    2   16 o   6.9230   0.2890   6.8200   0.4028   7.0250   0.4145 -0.2046000 0.5780000 
1 1 1  -62    2   17 o   7.2140   0.2930   7.6100   0.3863   6.8190   0.4408 0.7904000 0.5861000 
1 1 1  -62    2   18 o   5.4980   0.3094   5.4600   0.4904   5.5360   0.3774 -0.7588000E-01 0.6188000 
1 1 1  -62    2   19 o   8.9650   0.2180   8.5080   0.3064   9.4210   0.3103 -0.9133000 0.4361000 
1 1 1  -62    2   20 o   9.8830   0.1888   9.7920   0.2541   9.9750   0.2792 -0.1821000 0.3776000 
1 1 1  -62    2   21 o   2.6400   0.6256   2.7710   0.7956   2.5090   0.9657 0.2624000 1.251000 
1 1 1  -62    2   22 o   1.8500   0.5541   1.8190   0.7663   1.8820   0.8005 -0.6274000E-01 1.108000 
1 1 1  -62    2   23 o   8.3290   0.3475   8.4990   0.4982   8.1590   0.4846 0.3405000 0.6950000 
1 1 1  -62    4    1 o   2.0180   0.5795   1.7710   0.8051   2.2660   0.8338 -0.4946000 1.159000 
1 1 1  -62    4    2 o   3.9040   0.4990   3.9550   0.7840   3.8520   0.6175 0.1028000 0.9980000 
1 1 1  -62    4    3 o   6.6190   0.2586   6.7810   0.4093   6.4570   0.3162 0.3239000 0.5172000 
1 1 1  -62    4    4 o   8.6400   0.1866   8.9330   0.2480   8.3470   0.2788 0.5860000 0.3731000 
1 1 1  -62    4    5 o   2.3250   0.7204   2.4550   1.0530   2.1940   0.9834 0.2605000 1.441000 
1 1 1  -62    4    6 o   3.6070   0.7076   2.3410   1.0240   4.8740   0.9770 -2.534000 1.415000 
1 1 1  -62    4    7 o   5.3120   0.5234   5.8630   0.8012   4.7610   0.6738 1.102000 1.047000 
1 1 1  -62    4    8 o   6.3100   0.4476   6.8760   0.7162   5.7440   0.5369 1.132000 0.8951000 
1 1 1  -62    4    9 o   5.2480   0.5513   6.6730   0.7241   3.8230   0.8316 2.850000 1.103000 
1 1 1  -62    4   10 o   2.2740   0.6627   2.2010   0.9710   2.3480   0.9021 -0.1466000 1.325000 
1 1 1  -62    4   11 o   7.0000   0.3742   7.3390   0.5970   6.6610   0.4512 0.6777000 0.7483000 
1 1 1  -62    4   12 o   3.9210   0.6321   3.7570   1.0430   4.0850   0.7144 -0.3278000 1.264000 
1 1 1  -62    4   13 o   6.0500   0.4558   6.1610   0.7387   5.9380   0.5342 0.2224000 0.9117000 
1 1 1  -62    4   14 o   5.3800   0.5480   5.3800   0.5480  ?   ?       ?      ? 
1 1 1  -62    4   15 o   7.7160   0.4101   7.8920   0.6120   7.5410   0.5460 0.3514000 0.8202000 
1 1 1  -62    4   16 o   3.3350   0.7728   3.3050   1.1420   3.3640   1.0410 -0.5944000E-01 1.546000 
1 1 1  -62    4   17 o   4.4430   0.5237   4.2080   0.7895   4.6780   0.6883 -0.4705000 1.047000 
1 1 1  -62    4   18 o   3.2360   0.5507   2.6440   0.7044   3.8270   0.8467 -1.183000 1.101000 
1 1 1  -62    4   19 o   7.2410   0.2429   7.3420   0.3565   7.1390   0.3301 0.2031000 0.4858000 
1 1 1  -62    4   20 o   5.4910   0.3113   5.3630   0.4265   5.6190   0.4536 -0.2563000 0.6226000 
1 1 1  -62    4   21 o   10.530   0.1958   10.480   0.2603   10.570   0.2925 -0.9076000E-01 0.3915000 
1 1 1  -62    4   22 o   2.5940   0.6765   2.7560   0.9258   2.4320   0.9867 0.3238000 1.353000 
1 1 1  -62    6    1 o   6.1490   0.3448   6.5440   0.5197   5.7540   0.4533 0.7898000 0.6896000 
1 1 1  -62    6    2 o   4.4340   0.4596   4.4530   0.7355   4.4150   0.5514 0.3863000E-01 0.9192000 
1 1 1  -62    6    3 o   6.3620   0.2916   6.5480   0.4544   6.1760   0.3655 0.3728000 0.5831000 
1 1 1  -62    6    4 o   8.1270   0.2036   8.2120   0.2667   8.0410   0.3077 0.1713000 0.4072000 
1 1 1  -62    6    5 o   2.7240   0.7744   2.9130   1.1820   2.5350   1.0010 0.3780000 1.549000 
1 1 1  -62    6    6 o   5.9270   0.6126   5.3650   1.0690   6.4890   0.5984 -1.124000 1.225000 
1 1 1  -62    6    7 o   10.260   0.3615   9.8780   0.5976   10.650   0.4069 -0.7707000 0.7229000 
1 1 1  -62    6    8 o   10.220   0.3471   10.610   0.5473   9.8200   0.4270 0.7948000 0.6941000 
1 1 1  -62    6    9 o   2.5800   0.7118   2.1840   1.0100   2.9760   1.0030 -0.7919000 1.424000 
1 1 1  -62    6   10 o   1.9280   0.6384   2.1130   0.9841   1.7430   0.8134 0.3697000 1.277000 
1 1 1  -62    6   11 o   4.8290   0.6501   5.0400   1.0410   4.6180   0.7787 0.4224000 1.300000 
1 1 1  -62    6   12 o   5.9980   0.5298   5.7830   0.8866   6.2130   0.5803 -0.4306000 1.060000 
1 1 1  -62    6   13 o   5.0360   0.4935   5.4390   0.6380   4.6340   0.7531 0.8052000 0.9870000 
1 1 1  -62    6   14 o   8.3160   0.3133   8.8470   0.4200   7.7840   0.4651 1.063000 0.6267000 
1 1 1  -62    6   15 o   2.7050   0.6921   2.5570   0.9707   2.8530   0.9868 -0.2955000 1.384000 
1 1 1  -62    6   16 o   4.7530   0.5428   4.9700   0.7432   4.5360   0.7913 0.4347000 1.086000 
1 1 1  -62    6   17 o   2.4980   0.6795   2.8250   0.9970   2.1710   0.9236 0.6543000 1.359000 
1 1 1  -62    6   18 o   3.9720   0.5524   3.8180   0.9780   4.1270   0.5141 -0.3094000 1.105000 
1 1 1  -62    6   19 o   6.9030   0.2580   7.0410   0.3681   6.7650   0.3617 0.2756000 0.5161000 
1 1 1  -62    6   20 o   5.2330   0.3351   5.4600   0.4231   5.0050   0.5197 0.4548000 0.6702000 
1 1 1  -62    6   21 o   9.0500   0.2218   8.9600   0.2973   9.1400   0.3292 -0.1796000 0.4436000 
1 1 1  -62    6   22 o   2.9370   1.2340   2.9370   1.2340  ?   ?       ?      ? 
1 1 1  -62    8    1 o   3.6590   0.6389   3.3210   0.9623   3.9980   0.8407 -0.6776000 1.278000 
1 1 1  -62    8    2 o   3.6260   0.5833   3.4550   0.9389   3.7960   0.6923 -0.3406000 1.167000 
1 1 1  -62    8    3 o   3.8820   0.5193   3.5580   0.8766   4.2060   0.5569 -0.6479000 1.039000 
1 1 1  -62    8    4 o   2.9680   0.5907   2.6790   0.8462   3.2580   0.8245 -0.5792000 1.181000 
1 1 1  -62    8    5 o   2.5970   0.6787   2.4400   1.1050   2.7550   0.7888 -0.3151000 1.357000 
1 1 1  -62    8    6 o   2.4300   0.7310   2.0440   0.9766   2.8170   1.0880 -0.7729000 1.462000 
1 1 1  -62    8    7 o   5.0440   0.7434   4.9450   1.2170   5.1440   0.8546 -0.1989000 1.487000 
1 1 1  -62    8    8 o   5.9880   0.6504   5.5110   1.1130   6.4640   0.6741 -0.9533000 1.301000 
1 1 1  -62    8    9 o   6.1890   0.5938   6.0710   0.9752   6.3070   0.6779 -0.2359000 1.188000 
1 1 1  -62    8   10 o   10.110   0.4319   9.6010   0.7432   10.610   0.4403 -1.011000 0.8638000 
1 1 1  -62    8   11 o   5.3960   0.7040   4.8550   1.2220   5.9360   0.6987 -1.081000 1.408000 
1 1 1  -62    8   12 o   2.5180   0.7399   2.2500   1.0470   2.7870   1.0460 -0.5370000 1.480000 
1 1 1  -62    8   13 o   3.5910   0.7289   3.3760   1.0540   3.8060   1.0080 -0.4308000 1.458000 
1 1 1  -62    8   14 o   5.0570   0.5748   4.4670   0.8979   5.6480   0.7179 -1.181000 1.150000 
1 1 1  -62    8   15 o   2.3910   0.7014   2.3070   0.9791   2.4750   1.0040 -0.1683000 1.403000 
1 1 1  -62    8   16 o   2.4240   0.6948   2.8150   1.0510   2.0330   0.9091 0.7817000 1.390000 
1 1 1  -62    8   17 o   3.0440   0.5443   2.3580   0.9892   3.7300   0.4543 -1.372000 1.089000 
1 1 1  -62    8   18 o   1.9810   0.5165   1.6780   0.6725   2.2840   0.7842 -0.6063000 1.033000 
1 1 1  -62    8   19 o   6.8580   0.2289   7.0550   0.3184   6.6600   0.3290 0.3952000 0.4579000 
1 1 1  -62    8   20 o   3.3430   0.5065   3.1030   0.7821   3.5820   0.6438 -0.4782000 1.013000 
1 1 1  -62    8   21 o   3.1730   1.2090   3.1730   1.2090  ?   ?       ?      ? 
1 1 1  -62   10    1 o   2.8210   0.6978   3.1990   1.0510   2.4440   0.9182 0.7554000 1.396000 
1 1 1  -62   10    2 o   2.6430   0.6769   2.1700   0.8886   3.1170   1.0210 -0.9465000 1.354000 
1 1 1  -62   10    3 o   2.2090   0.6131   2.2870   0.8855   2.1300   0.8481 0.1571000 1.226000 
1 1 1  -62   10    4 o   2.9000   0.5723   2.8400   0.8391   2.9610   0.7785 -0.1213000 1.145000 
1 1 1  -62   10    5 o   3.4580   0.5465   3.6420   0.8513   3.2730   0.6855 0.3687000 1.093000 
1 1 1  -62   10    6 o   4.7150   0.7361   4.5520   1.3550   4.8770   0.5758 -0.3249000 1.472000 
1 1 1  -62   10    7 o   5.4420   0.7066   4.4850   1.3740   6.3990   0.3322 -1.914000 1.413000 
1 1 1  -62   10    8 f   7.8230   0.5224   7.9450   0.8495   7.7020   0.6083 0.2440000 1.045000 
1 1 1  -62   10    9 o   5.8340   0.7405   4.2030   1.3370   7.4650   0.6373 -3.261000 1.481000 
1 1 1  -62   10   10 o   8.4940   0.5281   8.1880   0.9067   8.8010   0.5416 -0.6123000 1.056000 
1 1 1  -62   10   11 o   6.8880   0.6828   5.8660   1.2310   7.9110   0.5914 -2.044000 1.366000 
1 1 1  -62   10   12 o   2.1640   0.6725   1.7830   0.8488   2.5450   1.0430 -0.7615000 1.345000 
1 1 1  -62   10   13 o   7.5800   0.4242   8.0890   0.5579   7.0720   0.6393 1.018000 0.8485000 
1 1 1  -62   10   14 o   2.6540   0.7383   2.9800   1.0800   2.3290   1.0070 0.6510000 1.477000 
1 1 1  -62   10   15 o   2.9700   0.7725   2.9320   1.0800   3.0070   1.1050 -0.7555000E-01 1.545000 
1 1 1  -62   10   16 o   6.5630   0.2315   6.5800   0.3310   6.5450   0.3238 0.3469000E-01 0.4631000 
1 1 1  -62   10   17 o   5.1170   0.3911   4.5020   0.6538   5.7320   0.4294 -1.229000 0.7823000 
1 1 1  -62   10   18 o   10.260   0.1873   9.9580   0.2753   10.560   0.2542 -0.6061000 0.3747000 
1 1 1  -62   10   19 o   7.3980   0.2611   7.3200   0.3821   7.4750   0.3560 -0.1550000 0.5222000 
1 1 1  -62   12    1 o   2.0610   0.6151   2.1150   0.8867   2.0080   0.8529 0.1065000 1.230000 
1 1 1  -62   12    2 o   2.4210   0.6332   2.2190   0.8948   2.6230   0.8960 -0.4035000 1.266000 
1 1 1  -62   12    3 o   2.7080   0.7035   2.5720   1.0220   2.8450   0.9671 -0.2734000 1.407000 
1 1 1  -62   12    4 o   2.1760   0.5991   1.9540   0.8319   2.3980   0.8623 -0.4436000 1.198000 
1 1 1  -62   12    5 o   2.0130   0.5744   1.9460   0.8150   2.0800   0.8098 -0.1338000 1.149000 
1 1 1  -62   12    6 f   4.6640   0.4882   4.1300   0.8646   5.1970   0.4539 -1.067000 0.9765000 
1 1 1  -62   12    7 o   3.2050   0.6066   3.1340   0.9704   3.2760   0.7280 -0.1416000 1.213000 
1 1 1  -62   12    8 o   3.6890   0.7399   3.4210   1.3550   3.9570   0.5938 -0.5353000 1.480000 
1 1 1  -62   12    9 o   2.2110   0.8895  ?   ?    2.2110   0.8895      ?      ? 
1 1 1  -62   12   10 o   7.9500   0.2751   7.8020   0.3819   8.0970   0.3961 -0.2947000 0.5502000 
1 1 1  -62   12   11 o   3.5560   0.5475   4.5840   0.6282   2.5280   0.8970 2.056000 1.095000 
1 1 1  -62   12   12 o   4.0280   0.4873   3.9790   0.6695   4.0760   0.7082 -0.9704000E-01 0.9746000 
1 1 1  -62   12   13 o   3.5850   0.4881   4.1180   0.4606   3.0520   0.8607 1.066000 0.9762000 
1 1 1  -62   12   14 o   1.8760   0.5257   2.4660   0.8637   1.2850   0.5995 1.181000 1.051000 
1 1 1  -62   12   15 o   3.7220   0.4767   4.2760   0.6709   3.1680   0.6774 1.108000 0.9534000 
1 1 1  -62   12   16 o   1.8780   0.5183   2.3340   0.8048   1.4210   0.6533 0.9124000 1.037000 
1 1 1  -62   12   17 o   5.1200   0.3378   4.8520   0.5137   5.3880   0.4387 -0.5359000 0.6755000 
1 1 1  -62   14    1 o   4.1500   0.6107   3.1820   1.0090   5.1180   0.6891 -1.936000 1.221000 
1 1 1  -62   14    2 o   3.1060   0.6792   3.4300   0.9778   2.7810   0.9430 0.6488000 1.358000 
1 1 1  -62   14    3 o   5.8490   0.3907   5.8080   0.5949   5.8890   0.5067 -0.8100000E-01 0.7815000 
1 1 1  -62   14    4 o   4.2440   0.5334   4.4550   0.7827   4.0330   0.7249 0.4224000 1.067000 
1 1 1  -62   14    5 o   3.1200   0.5859   2.3020   0.9159   3.9380   0.7310 -1.637000 1.172000 
1 1 1  -62   14    6 o   2.2690   0.6763   2.3620   1.0110   2.1750   0.8992 0.1873000 1.353000 
1 1 1  -62   14    7 o   5.6910   0.5115   5.1380   0.8677   6.2430   0.5418 -1.105000 1.023000 
1 1 1  -62   14    8 o   5.1630   0.5160   4.4300   0.9222   5.8960   0.4634 -1.466000 1.032000 
1 1 1  -62   14    9 o   4.0810   0.5856   4.1200   0.9622   4.0420   0.6679 0.7740000E-01 1.171000 
1 1 1  -62   14   10 o   3.3900   0.6040   2.7160   1.0060   4.0650   0.6690 -1.349000 1.208000 
1 1 1  -62   14   11 o   8.3840   0.2826   8.0160   0.4622   8.7530   0.3251 -0.7371000 0.5651000 
1 1 1  -62   14   12 o   4.2230   0.5172   4.3370   0.8176   4.1090   0.6337 0.2281000 1.034000 
1 1 1  -62   14   13 o   2.0220   0.5501   1.5150   0.7238   2.5280   0.8286 -1.014000 1.100000 
1 1 1  -62   14   14 o   1.6650   0.5391   1.8530   0.8298   1.4770   0.6884 0.3755000 1.078000 
1 1 1  -62   14   15 o   4.4250   1.4370   4.4250   1.4370  ?   ?       ?      ? 
1 1 1  -62   16    1 o   2.4630   0.6855   2.7330   1.0240   2.1930   0.9118 0.5397000 1.371000 
1 1 1  -62   16    2 o   2.9380   0.6601   2.4530   0.9700   3.4230   0.8954 -0.9704000 1.320000 
1 1 1  -62   16    3 o   2.0950   0.6316   2.0830   0.9085   2.1060   0.8776 -0.2330000E-01 1.263000 
1 1 1  -62   16    4 o   4.4900   0.5576   4.2160   0.8845   4.7650   0.6791 -0.5487000 1.115000 
1 1 1  -62   16    5 o   6.0550   0.4044   5.3690   0.6652   6.7410   0.4603 -1.372000 0.8089000 
1 1 1  -62   16    6 o   2.4840   0.6144   1.8550   0.8455   3.1120   0.8916 -1.257000 1.229000 
1 1 1  -62   16    7 o   2.1770   0.6278   1.8410   0.8771   2.5140   0.8983 -0.6729000 1.256000 
1 1 1  -62   16    8 o   7.1150   0.4084   6.5900   0.6956   7.6390   0.4280 -1.049000 0.8168000 
1 1 1  -62   16    9 o   2.3050   0.6534   1.9820   0.9200   2.6280   0.9282 -0.6462000 1.307000 
1 1 1  -62   16   10 o   2.0460   0.6532   2.1110   0.9806   1.9800   0.8631 0.1313000 1.306000 
1 1 1  -61    1    1 o   4.4880   0.4647   4.2620   0.6258   4.7130   0.6871 -0.4508000 0.9294000 
1 1 1  -61    1    2 o   4.0060   0.4938   4.2970   0.7043   3.7150   0.6923 0.5825000 0.9876000 
1 1 1  -61    1    3 o   5.4030   0.2549   5.4170   0.3544   5.3890   0.3664 0.2767000E-01 0.5097000 
1 1 1  -61    1    4 o   6.6010   0.2073   6.5670   0.3133   6.6340   0.2714 -0.6689000E-01 0.4145000 
1 1 1  -61    1    5 o   2.7850   0.4073   3.0050   0.4560   2.5650   0.6751 0.4396000 0.8146000 
1 1 1  -61    1    6 o   2.0130   0.5519   1.3940   0.6477   2.6310   0.8937 -1.237000 1.104000 
1 1 1  -61    1    7 o   4.0200   0.4062   4.2710   0.6577   3.7700   0.4769 0.5009000 0.8124000 
1 1 1  -61    1    8 f   2.9320   0.5410   3.1990   0.8050   2.6640   0.7231 0.5344000 1.082000 
1 1 1  -61    1    9 o   13.720   0.2683   13.720   0.2683  ?   ?       ?      ? 
1 1 1  -61    1   10 o   3.1900   0.5563   3.1900   0.5563  ?   ?       ?      ? 
1 1 1  -61    1   11 o   5.3560   0.3250   5.3560   0.3250  ?   ?       ?      ? 
1 1 1  -61    1   12 o   14.560   0.2664   14.560   0.2664  ?   ?       ?      ? 
1 1 1  -61    1   13 o   11.900   0.1978   12.010   0.2807   11.800   0.2787 0.2062000 0.3956000 
1 1 1  -61    1   14 o   10.460   0.2183  ?   ?    10.460   0.2183      ?      ? 
1 1 1  -61    1   15 o   13.340   0.2143   13.620   0.2284   13.060   0.3626 0.5548000 0.4285000 
1 1 1  -61    1   16 o   17.100   0.1605   17.280   0.1963   16.920   0.2541 0.3645000 0.3211000 
1 1 1  -61    1   17 o   14.120   0.1455   14.270   0.2051   13.980   0.2063 0.2936000 0.2909000 
1 1 1  -61    1   18 o   3.1900   0.4593   2.8220   0.6794   3.5580   0.6182 -0.7361000 0.9185000 
1 1 1  -61    1   19 o   6.5000   0.2863   6.3270   0.4008   6.6720   0.4089 -0.3455000 0.5726000 
1 1 1  -61    1   20 o   5.5000   0.3346   5.7100   0.4073   5.2890   0.5310 0.4211000 0.6692000 
1 1 1  -61    1   21 o   2.4680   0.6344   2.6450   0.8605   2.2910   0.9324 0.3539000 1.269000 
1 1 1  -61    1   22 o   4.2080   0.4524   4.0930   0.6061   4.3230   0.6717 -0.2299000 0.9047000 
1 1 1  -61    1   23 o   2.4570   0.6014   2.0720   0.8106   2.8430   0.8886 -0.7709000 1.203000 
1 1 1  -61    3    1 o   1.7250   0.5482   2.0740   0.8816   1.3770   0.6519 0.6967000 1.096000 
1 1 1  -61    3    2 o   4.2270   0.4477   4.4230   0.7177   4.0310   0.5353 0.3916000 0.8954000 
1 1 1  -61    3    3 f   4.0820   0.4323   4.2770   0.6402   3.8880   0.5812 0.3891000 0.8646000 
1 1 1  -61    3    4 o   3.1290   0.4498   3.5650   0.4443   2.6930   0.7823 0.8717000 0.8996000 
1 1 1  -61    3    5 o   5.5140   0.5408   4.9150   0.9627   6.1130   0.4929 -1.198000 1.082000 
1 1 1  -61    3    6 o   2.1370   0.6222   1.8710   0.8794   2.4030   0.8804 -0.5318000 1.244000 
1 1 1  -61    3    7 o   2.7040   0.6764   2.7210   1.0380   2.6880   0.8681 0.3344000E-01 1.353000 
1 1 1  -61    3    8 o   5.3670   0.5124   4.6210   0.9238   6.1120   0.4438 -1.490000 1.025000 
1 1 1  -61    3    9 o   4.7940   0.5306   3.8870   0.9521   5.7000   0.4686 -1.813000 1.061000 
1 1 1  -61    3   10 o   7.1270   0.3414   6.7600   0.5693   7.4940   0.3771 -0.7346000 0.6829000 
1 1 1  -61    3   11 o   4.4110   0.5114   4.3460   0.8155   4.4770   0.6171 -0.1313000 1.023000 
1 1 1  -61    3   12 o   3.5250   0.6083   3.8440   0.9351   3.2060   0.7784 0.6388000 1.217000 
1 1 1  -61    3   13 o   2.9900   0.6476   2.8250   1.0150   3.1550   0.8051 -0.3305000 1.295000 
1 1 1  -61    3   14 o   5.1330   0.3684   5.0940   0.5123   5.1710   0.5295 -0.7748000E-01 0.7368000 
1 1 1  -61    3   15 o   7.2920   0.2796   7.1300   0.4000   7.4540   0.3908 -0.3246000 0.5592000 
1 1 1  -61    3   16 o   6.9260   0.3084   7.4620   0.3970   6.3900   0.4721 1.072000 0.6168000 
1 1 1  -61    3   17 o   9.6260   0.3358   9.6800   0.4913   9.5720   0.4579 0.1082000 0.6717000 
1 1 1  -61    3   18 o   7.5920   0.2226   7.1030   0.3248   8.0800   0.3045 -0.9770000 0.4452000 
1 1 1  -61    3   19 o   4.4800   0.3854   5.3000   0.4100   3.6600   0.6527 1.640000 0.7708000 
1 1 1  -61    3   20 o   12.250   0.1733   12.540   0.2285   11.970   0.2605 0.5696000 0.3466000 
1 1 1  -61    3   21 o   3.2320   0.6083   3.5310   0.6739   2.9320   1.0130 0.5985000 1.217000 
1 1 1  -61    3   22 o   1.8040   0.5418   2.0780   0.8147   1.5300   0.7144 0.5481000 1.084000 
1 1 1  -61    3   23 f   9.0450   0.2376   8.7530   0.3308   9.3370   0.3410 -0.5835000 0.4751000 
1 1 1  -61    5    1 o   2.7890   0.5988   2.2780   0.9223   3.2990   0.7638 -1.021000 1.198000 
1 1 1  -61    5    2 o   2.5180   0.6076   2.5080   0.9086   2.5280   0.8069 -0.2010000E-01 1.215000 
1 1 1  -61    5    3 o   2.9100   0.5623   3.0760   0.8277   2.7440   0.7612 0.3320000 1.125000 
1 1 1  -61    5    4 o   4.6590   0.3132   4.5580   0.4286   4.7610   0.4568 -0.2030000 0.6264000 
1 1 1  -61    5    5 o   4.2930   0.7104   4.6890   1.0960   3.8970   0.9043 0.7912000 1.421000 
1 1 1  -61    5    6 o   3.4300   0.7506   3.2670   1.1670   3.5930   0.9449 -0.3251000 1.501000 
1 1 1  -61    5    7 o   10.190   0.3668   9.8010   0.5439   10.580   0.4923 -0.7814000 0.7336000 
1 1 1  -61    5    8 o   7.1790   0.4779   6.8670   0.7223   7.4900   0.6259 -0.6232000 0.9557000 
1 1 1  -61    5    9 o   2.7530   0.7709   2.6790   1.1100   2.8260   1.0700 -0.1479000 1.542000 
1 1 1  -61    5   10 o   3.5860   0.7784   3.2030   1.1630   3.9690   1.0350 -0.7658000 1.557000 
1 1 1  -61    5   11 o   2.4400   0.7204   2.8270   1.1010   2.0540   0.9296 0.7726000 1.441000 
1 1 1  -61    5   12 o   2.8860   0.7441   3.6030   1.1440   2.1700   0.9512 1.433000 1.488000 
1 1 1  -61    5   13 o   3.3900   0.7724   3.7980   1.1060   2.9820   1.0790 0.8160000 1.545000 
1 1 1  -61    5   14 o   10.880   0.3346   10.980   0.4880   10.770   0.4580 0.2050000 0.6693000 
1 1 1  -61    5   15 o   7.0900   0.3351   7.4530   0.4568   6.7270   0.4904 0.7257000 0.6702000 
1 1 1  -61    5   16 o   2.1780   0.6330   2.4110   0.9359   1.9450   0.8525 0.4660000 1.266000 
1 1 1  -61    5   17 o   3.1880   0.6702   3.0280   0.9608   3.3480   0.9348 -0.3205000 1.340000 
1 1 1  -61    5   18 f   2.9590   0.4530   2.5990   0.6717   3.3190   0.6079 -0.7200000 0.9060000 
1 1 1  -61    5   19 o   2.5120   0.5501   2.2040   0.7757   2.8210   0.7802 -0.6176000 1.100000 
1 1 1  -61    5   20 o   3.2490   0.5278   3.4270   0.6787   3.0700   0.8084 0.3571000 1.056000 
1 1 1  -61    5   21 o   9.2260   0.2177   9.3230   0.2932   9.1290   0.3219 0.1940000 0.4354000 
1 1 1  -61    5   22 o   7.0430   0.3753   6.9180   0.4793   7.1680   0.5775 -0.2501000 0.7505000 
1 1 1  -61    5   23 o   5.5730   0.7631   5.5730   0.7631  ?   ?       ?      ? 
1 1 1  -61    7    1 o   4.8460   0.4845   4.3880   0.7960   5.3040   0.5525 -0.9162000 0.9689000 
1 1 1  -61    7    2 o   5.2900   0.3864   5.2870   0.6139   5.2920   0.4694 -0.5172000E-02 0.7728000 
1 1 1  -61    7    3 o   3.6940   0.5084   3.0490   0.8795   4.3400   0.5104 -1.290000 1.017000 
1 1 1  -61    7    4 o   2.8730   0.5537   2.6590   0.7997   3.0880   0.7659 -0.4285000 1.107000 
1 1 1  -61    7    5 o   4.3880   0.7746   3.9740   1.2650   4.8030   0.8940 -0.8289000 1.549000 
1 1 1  -61    7    6 o   9.7810   0.3916   10.020   0.6204   9.5440   0.4779 0.4742000 0.7831000 
1 1 1  -61    7    7 o   3.1620   0.8008   3.0560   1.2150   3.2680   1.0440 -0.2128000 1.602000 
1 1 1  -61    7    8 o   6.0460   0.5995   5.5240   1.0290   6.5680   0.6154 -1.044000 1.199000 
1 1 1  -61    7    9 o   7.6560   0.5041   6.9200   0.8843   8.3920   0.4840 -1.472000 1.008000 
1 1 1  -61    7   10 f   7.2320   0.4938   7.7050   0.8001   6.7590   0.5791 0.9458000 0.9877000 
1 1 1  -61    7   11 o   4.9520   0.7029   4.4520   1.2180   5.4530   0.7014 -1.001000 1.406000 
1 1 1  -61    7   12 o   6.9960   0.4980   6.7700   0.8439   7.2210   0.5290 -0.4511000 0.9960000 
1 1 1  -61    7   13 o   3.7760   0.6642   3.4470   0.9664   4.1040   0.9114 -0.6563000 1.328000 
1 1 1  -61    7   14 o   9.5340   0.2968   9.5900   0.4155   9.4780   0.4239 0.1123000 0.5936000 
1 1 1  -61    7   15 o   7.0890   0.3908   7.9170   0.5073   6.2610   0.5947 1.655000 0.7817000 
1 1 1  -61    7   16 o   4.1510   0.6497   3.5940   1.0160   4.7080   0.8101 -1.113000 1.299000 
1 1 1  -61    7   17 o   6.0120   0.3563   6.2720   0.6396   5.7520   0.3141 0.5201000 0.7125000 
1 1 1  -61    7   18 o   1.6190   0.4586   1.9770   0.6927   1.2610   0.6013 0.7160000 0.9173000 
1 1 1  -61    7   19 o   2.1580   0.5342   2.0210   0.7750   2.2960   0.7355 -0.2754000 1.068000 
1 1 1  -61    7   20 o   3.8830   0.4799   3.3910   0.7181   4.3750   0.6369 -0.9836000 0.9598000 
1 1 1  -61    7   21 o   3.9980   0.6004   4.3050   0.6145   3.6900   1.0320 0.6145000 1.201000 
1 1 1  -61    7   22 o   11.580   0.2462   11.700   0.3797   11.470   0.3134 0.2302000 0.4923000 
1 1 1  -61    9    1 o   4.8810   0.6916  ?   ?    4.8810   0.6916      ?      ? 
1 1 1  -61    9    2 o   6.0080   0.3767   5.6230   0.6273   6.3930   0.4171 -0.7698000 0.7533000 
1 1 1  -61    9    3 o   2.6980   0.6126   2.5760   0.9368   2.8190   0.7898 -0.2435000 1.225000 
1 1 1  -61    9    4 o   6.2070   0.3107   6.1980   0.5072   6.2160   0.3591 -0.1746000E-01 0.6214000 
1 1 1  -61    9    5 o   3.1000   0.5298   3.9410   0.6314   2.2580   0.8509 1.683000 1.060000 
1 1 1  -61    9    6 o   2.7180   0.7168   2.9720   1.2290   2.4630   0.7385 0.5092000 1.434000 
1 1 1  -61    9    7 o   2.4590   0.7648   2.7560   1.1840   2.1630   0.9679 0.5934000 1.530000 
1 1 1  -61    9    8 o   2.5470   0.7123   1.8880   0.9242   3.2060   1.0840 -1.318000 1.425000 
1 1 1  -61    9    9 o   4.7070   0.7669   4.2570   1.2730   5.1580   0.8560 -0.9009000 1.534000 
1 1 1  -61    9   10 o   8.8820   0.4630   8.7750   0.7773   8.9900   0.5034 -0.2156000 0.9260000 
1 1 1  -61    9   11 o   3.8910   0.8461   3.9850   1.3340   3.7970   1.0420 0.1877000 1.692000 
1 1 1  -61    9   12 o   9.6280   0.3269   9.7160   0.4519   9.5390   0.4724 0.1773000 0.6537000 
1 1 1  -61    9   13 o   3.4540   0.7418   3.6280   1.0180   3.2790   1.0790 0.3488000 1.484000 
1 1 1  -61    9   14 o   7.1460   0.4211   6.7800   0.6101   7.5110   0.5806 -0.7317000 0.8422000 
1 1 1  -61    9   15 o   2.1540   0.6692   2.0050   0.9096   2.3030   0.9819 -0.2978000 1.338000 
1 1 1  -61    9   16 o   3.7950   0.5676   2.8570   1.0590   4.7320   0.4083 -1.875000 1.135000 
1 1 1  -61    9   17 o   5.0610   0.2911   5.1510   0.3539   4.9710   0.4624 0.1804000 0.5823000 
1 1 1  -61    9   18 o   2.1790   0.5248   2.5630   0.7602   1.7950   0.7238 0.7681000 1.050000 
1 1 1  -61    9   19 o   3.5280   0.5018   3.2620   0.8030   3.7930   0.6020 -0.5313000 1.004000 
1 1 1  -61    9   20 o   2.5290   0.5619   1.7640   0.7795   3.2930   0.8095 -1.529000 1.124000 
1 1 1  -61    9   21 o   1.8810   0.6400   1.8520   0.8628   1.9100   0.9454 -0.5773000E-01 1.280000 
1 1 1  -61   11    1 o   5.7920   0.3727   5.6760   0.5490   5.9080   0.5041 -0.2313000 0.7453000 
1 1 1  -61   11    2 o   5.8460   0.4586   6.2630   0.6623   5.4290   0.6345 0.8349000 0.9172000 
1 1 1  -61   11    3 o   3.9160   0.6045   3.5340   0.8157   4.2980   0.8925 -0.7638000 1.209000 
1 1 1  -61   11    4 o   6.2520   0.3387   5.7710   0.5281   6.7330   0.4243 -0.9613000 0.6774000 
1 1 1  -61   11    5 o   4.4320   0.4348   4.8460   0.5775   4.0170   0.6501 0.8281000 0.8696000 
1 1 1  -61   11    6 o   2.1400   0.6127   2.2170   0.9299   2.0640   0.7980 0.1528000 1.225000 
1 1 1  -61   11    7 f   3.6900   0.8216  ?   ?    3.6900   0.8216      ?      ? 
1 1 1  -61   11    8 o   7.1830   0.2620   7.2380   0.3451   7.1270   0.3944 0.1105000 0.5241000 
1 1 1  -61   11    9 o   2.8440   0.6532   2.4410   1.1340   3.2470   0.6493 -0.8059000 1.306000 
1 1 1  -61   11   10 o   5.8550   0.7030   5.1720   1.3730   6.5370   0.3020 -1.365000 1.406000 
1 1 1  -61   11   11 o   6.5130   0.7007   5.8490   1.3760   7.1770   0.2680 -1.328000 1.401000 
1 1 1  -61   11   12 o   7.5430   0.3568   7.4180   0.6596   7.6670   0.2725 -0.2486000 0.7136000 
1 1 1  -61   11   13 o   2.7150   0.6866   2.7100   1.1700   2.7200   0.7194 -0.1027000E-01 1.373000 
1 1 1  -61   11   14 o   4.4650   0.3817   4.4330   0.5537   4.4960   0.5256 -0.6351000E-01 0.7634000 
1 1 1  -61   11   15 o   3.0940   0.5866   2.8440   0.8803   3.3450   0.7755 -0.5008000 1.173000 
1 1 1  -61   11   16 o   3.3220   0.5567   3.1390   0.9142   3.5050   0.6355 -0.3666000 1.113000 
1 1 1  -61   11   17 o   2.6900   0.5236   3.4540   0.7008   1.9270   0.7782 1.528000 1.047000 
1 1 1  -61   11   18 o   1.6100   0.5071   1.5530   0.7068   1.6680   0.7273 -0.1152000 1.014000 
1 1 1  -61   11   19 o   5.7070   0.3703   6.0660   0.4302   5.3470   0.6028 0.7197000 0.7406000 
1 1 1  -61   13    1 o   2.1210   0.6263   2.1790   0.9126   2.0630   0.8579 0.1154000 1.253000 
1 1 1  -61   13    2 o   1.8630   0.5748   1.6740   0.7820   2.0510   0.8428 -0.3769000 1.150000 
1 1 1  -61   13    3 o   3.1090   0.5836   2.2950   0.9119   3.9230   0.7285 -1.628000 1.167000 
1 1 1  -61   13    4 o   3.9400   0.6651   3.8090   1.0470   4.0720   0.8203 -0.2626000 1.330000 
1 1 1  -61   13    5 o   2.9730   0.6682   3.8890   1.0130   2.0580   0.8713 1.831000 1.336000 
1 1 1  -61   13    6 o   1.7710   0.5514   1.9260   0.8269   1.6160   0.7298 0.3097000 1.103000 
1 1 1  -61   13    7 o   3.0280   0.6602   3.2110   1.0390   2.8440   0.8144 0.3674000 1.320000 
1 1 1  -61   13    8 o   3.4570   0.6153   3.3630   1.0240   3.5500   0.6826 -0.1870000 1.231000 
1 1 1  -61   13    9 o   2.9570   0.6083   2.6130   0.9768   3.3020   0.7254 -0.6892000 1.217000 
1 1 1  -61   13   10 o   2.1650   0.6141   2.4830   0.9660   1.8460   0.7585 0.6377000 1.228000 
1 1 1  -61   13   11 f   3.4550   0.5318   2.5260   0.9279   4.3840   0.5200 -1.858000 1.064000 
1 1 1  -61   13   12 o   2.8910   0.6035   3.3620   0.9073   2.4190   0.7960 0.9435000 1.207000 
1 1 1  -61   13   13 o   6.0820   0.3341   5.7190   0.5553   6.4440   0.3718 -0.7250000 0.6683000 
1 1 1  -61   13   14 o   1.8380   0.5582   1.7300   0.7956   1.9450   0.7833 -0.2142000 1.116000 
1 1 1  -61   13   15 o   5.9780   0.3502   6.3150   0.5380   5.6400   0.4483 0.6757000 0.7003000 
1 1 1  -61   13   16 o   3.6330   0.5073   2.9200   0.8324   4.3450   0.5800 -1.425000 1.015000 
1 1 1  -61   13   17 o   1.9720   0.5900   1.8250   0.7853   2.1200   0.8808 -0.2949000 1.180000 
1 1 1  -61   15    1 o   2.7850   0.6894   3.1700   1.0160   2.4010   0.9316 0.7689000 1.379000 
1 1 1  -61   15    2 o   4.6980   0.5346   4.7540   0.8068   4.6420   0.7018 0.1123000 1.069000 
1 1 1  -61   15    3 o   1.8960   0.5856   1.5200   0.7361   2.2720   0.9111 -0.7528000 1.171000 
1 1 1  -61   15    4 o   2.8200   0.6612   2.3560   0.9537   3.2850   0.9162 -0.9295000 1.322000 
1 1 1  -61   15    5 o   2.1930   0.6232   1.8700   0.8377   2.5160   0.9230 -0.6463000 1.246000 
1 1 1  -61   15    6 o   2.0410   0.6164   2.2840   0.9332   1.7980   0.8055 0.4863000 1.233000 
1 1 1  -61   15    7 o   2.5380   0.6737   2.3120   1.0120   2.7640   0.8901 -0.4512000 1.347000 
1 1 1  -61   15    8 o   3.3820   0.6779   3.3150   1.1040   3.4480   0.7870 -0.1335000 1.356000 
1 1 1  -61   15    9 o   4.3170   0.6285   3.7250   1.0670   4.9090   0.6651 -1.184000 1.257000 
1 1 1  -61   15   10 o   2.4460   0.6861   2.3700   1.0060   2.5230   0.9330 -0.1528000 1.372000 
1 1 1  -61   15   11 o   3.2250   0.6783   3.7840   0.9675   2.6650   0.9508 1.119000 1.357000 
1 1 1  -61   15   12 o   2.2350   0.6468   2.1630   0.9187   2.3080   0.9107 -0.1449000 1.294000 
1 1 1  -61   15   13 o   2.9080   0.7005   3.3550   1.0520   2.4620   0.9254 0.8936000 1.401000 
1 1 1  -61   15   14 o   1.9340   0.6230   2.2430   0.9750   1.6250   0.7758 0.6178000 1.246000 
1 1 1  -61   17    2 o   1.4320   0.4982   1.3700   0.6834   1.4950   0.7251 -0.1247000 0.9964000 
1 1 1  -61   17    3 o   2.5360   0.6588   3.1680   1.0080   1.9030   0.8484 1.264000 1.318000 
1 1 1  -61   17    4 o   1.4990   0.5142   1.3250   0.6721   1.6730   0.7783 -0.3486000 1.028000 
1 1 1  -61   17    5 o   1.6630   0.5518   1.6830   0.7953   1.6430   0.7651 0.3971000E-01 1.104000 
1 1 1  -61   17    6 o   1.9520   0.5774   1.4450   0.7098   2.4600   0.9108 -1.015000 1.155000 
1 1 1  -61   17    7 o   1.6780   0.5686   1.9170   0.9028   1.4390   0.6914 0.4785000 1.137000 
1 1 1  -61   17    8 f   2.2190   0.6833   2.3490   1.0620   2.0890   0.8603 0.2596000 1.367000 
1 1 1  -60    0    1 f   4.0030   1.3890   4.0030   1.3890   4.0030   1.3890 -0.000000 0.000000 
1 1 1  -60    0    2 f   2.1210   1.0080   2.1210   1.0080   2.1210   1.0080 -0.000000 0.000000 
1 1 1  -60    0    3 o   2.6660   0.7876   2.6660   0.7876   2.6660   0.7876 -0.000000 0.000000 
1 1 1  -60    0    4 o   4.3760   0.3894   4.3760   0.3894   4.3760   0.3894 -0.000000 0.000000 
1 1 1  -60    0    5 o   3.5490   0.5738   3.5490   0.5738   3.5490   0.5738 -0.000000 0.000000 
1 1 1  -60    0    6 o   6.5000   0.2167   6.5000   0.2167   6.5000   0.2167 -0.000000 0.000000 
1 1 1  -60    0    7 o   6.7870   0.2902   6.7870   0.2902   6.7870   0.2902 -0.000000 0.000000 
1 1 1  -60    0   15 o   11.110   0.1725   11.110   0.1725   11.110   0.1725 -0.000000 0.000000 
1 1 1  -60    0   16 o   15.750   0.2407   15.750   0.2407   15.750   0.2407 -0.000000 0.000000 
1 1 1  -60    0   17 o   12.320   0.2142   12.320   0.2142   12.320   0.2142 -0.000000 0.000000 
1 1 1  -60    0   18 o   3.9440   0.6005   3.9440   0.6005   3.9440   0.6005 -0.000000 0.000000 
1 1 1  -60    0   19 o   7.8260   0.3261   7.8260   0.3261   7.8260   0.3261 -0.000000 0.000000 
1 1 1  -60    0   20 o   3.1240   1.3310   3.1240   1.3310   3.1240   1.3310 -0.000000 0.000000 
1 1 1  -60    0   21 o   10.860   0.2935   10.860   0.2935   10.860   0.2935 -0.000000 0.000000 
1 1 1  -60    0   22 f   2.6430   1.0860   2.6430   1.0860   2.6430   1.0860 -0.000000 0.000000 
1 1 1  -60    0   23 o   1.8840   1.0360   1.8840   1.0360   1.8840   1.0360 -0.000000 0.000000 
1 1 1  -60    0   24 o   1.4070   0.9005   1.4070   0.9005   1.4070   0.9005 -0.000000 0.000000 
1 1 1  -60    2    1 o   8.9070   0.2337   8.5130   0.3321   9.3000   0.3290 -0.7875000 0.4675000 
1 1 1  -60    2    2 o   1.7040   0.5324   1.7560   0.7757   1.6520   0.7295 0.1042000 1.065000 
1 1 1  -60    2    3 o   5.4040   0.3224   5.5410   0.4924   5.2680   0.4163 0.2733000 0.6447000 
1 1 1  -60    2    4 o   2.5400   0.4772   2.9620   0.5900   2.1190   0.7500 0.8430000 0.9543000 
1 1 1  -60    2    5 o   7.4660   0.3361   7.1720   0.6326   7.7600   0.2270 -0.5882000 0.6721000 
1 1 1  -60    2    6 o   5.4780   0.4735   4.7590   0.8501   6.1980   0.4175 -1.439000 0.9471000 
1 1 1  -60    2    7 o   4.7610   0.5295   3.9180   0.9719   5.6040   0.4205 -1.686000 1.059000 
1 1 1  -60    2    8 o   2.3190   0.6375   1.9860   0.8713   2.6520   0.9307 -0.6659000 1.275000 
1 1 1  -60    2    9 o   6.8360   0.4731  ?   ?    6.8360   0.4731      ?      ? 
1 1 1  -60    2   10 o   2.2360   0.8966  ?   ?    2.2360   0.8966      ?      ? 
1 1 1  -60    2   11 o   1.9900   0.8873  ?   ?    1.9900   0.8873      ?      ? 
1 1 1  -60    2   12 o   11.810   0.3737  ?   ?    11.810   0.3737      ?      ? 
1 1 1  -60    2   13 o   8.6550   0.3129   8.8450   0.3926   8.4650   0.4873 0.3797000 0.6258000 
1 1 1  -60    2   14 o   12.920   0.2537  ?   ?    12.920   0.2537      ?      ? 
1 1 1  -60    2   15 o   6.8450   0.2700   7.0990   0.3645   6.5920   0.3984 0.5069000 0.5400000 
1 1 1  -60    2   16 o   11.190   0.2025   11.040   0.2799   11.350   0.2926 -0.3101000 0.4049000 
1 1 1  -60    2   17 o   10.600   0.1460   10.480   0.1857   10.720   0.2254 -0.2364000 0.2921000 
1 1 1  -60    2   18 o   6.2650   0.2758   6.2210   0.3740   6.3090   0.4055 -0.8821000E-01 0.5517000 
1 1 1  -60    2   19 o   8.8910   0.1966   8.7220   0.2726   9.0590   0.2834 -0.3362000 0.3932000 
1 1 1  -60    2   20 f   5.3710   0.3290   5.6810   0.4145   5.0610   0.5111 0.6201000 0.6581000 
1 1 1  -60    2   21 o   4.0830   0.5635   4.0810   0.6831   4.0840   0.8962 -0.3004000E-02 1.127000 
1 1 1  -60    2   22 o   2.9870   0.5710   3.4890   0.7234   2.4850   0.8838 1.004000 1.142000 
1 1 1  -60    2   23 o   8.4100   0.2520   8.5930   0.3282   8.2260   0.3825 0.3665000 0.5040000 
1 1 1  -60    2   24 o   4.6710   0.4483   4.1460   0.6807   5.1960   0.5836 -1.050000 0.8966000 
1 1 1  -60    4    1 o   3.3360   0.5426   4.4830   0.7060   2.1900   0.8240 2.294000 1.085000 
1 1 1  -60    4    2 o   3.1470   0.5740   3.0300   0.8984   3.2630   0.7147 -0.2335000 1.148000 
1 1 1  -60    4    3 o   2.0930   0.5544   2.1110   0.8212   2.0750   0.7450 0.3547000E-01 1.109000 
1 1 1  -60    4    4 o   5.1170   0.2805   5.4630   0.3452   4.7710   0.4423 0.6921000 0.5611000 
1 1 1  -60    4    5 o   7.1780   0.5000   7.4110   0.7139   6.9450   0.7004 0.4654000 1.000000 
1 1 1  -60    4    6 o   7.0570   0.4959   6.4900   0.7846   7.6240   0.6067 -1.135000 0.9918000 
1 1 1  -60    4    7 f   10.320   0.3011   10.280   0.4945   10.350   0.3438 -0.6864000E-01 0.6023000 
1 1 1  -60    4    8 o   8.9870   0.3383   9.3620   0.5488   8.6120   0.3959 0.7495000 0.6767000 
1 1 1  -60    4    9 o   5.1530   0.5952   4.2500   1.0720   6.0570   0.5175 -1.807000 1.190000 
1 1 1  -60    4   10 o   4.1270   0.6281   4.0430   1.0320   4.2110   0.7157 -0.1674000 1.256000 
1 1 1  -60    4   11 o   2.4690   0.6771   2.5340   1.0250   2.4030   0.8848 0.1309000 1.354000 
1 1 1  -60    4   12 o   4.1480   0.6054   4.3880   0.9249   3.9070   0.7814 0.4814000 1.211000 
1 1 1  -60    4   13 o   4.5060   0.4750   4.8170   0.5838   4.1940   0.7494 0.6229000 0.9500000 
1 1 1  -60    4   14 o   4.5490   0.4609   4.3510   0.6662   4.7470   0.6372 -0.3952000 0.9219000 
1 1 1  -60    4   15 o   3.9730   0.7240   3.8340   1.0980   4.1130   0.9434 -0.2790000 1.448000 
1 1 1  -60    4   16 o   13.190   0.2994   13.310   0.4372   13.080   0.4091 0.2280000 0.5988000 
1 1 1  -60    4   17 f   3.3520   0.6318   3.0850   0.9165   3.6180   0.8698 -0.5332000 1.264000 
1 1 1  -60    4   18 o   3.7380   0.4378   3.6650   0.6637   3.8110   0.5710 -0.1457000 0.8755000 
1 1 1  -60    4   19 o   6.3180   0.2630   6.3380   0.3569   6.2990   0.3865 0.3929000E-01 0.5260000 
1 1 1  -60    4   20 o   7.3830   0.2496   7.6510   0.3262   7.1150   0.3779 0.5361000 0.4992000 
1 1 1  -60    4   21 o   6.2560   0.3946   6.1150   0.5082   6.3980   0.6038 -0.2834000 0.7892000 
1 1 1  -60    4   22 o   9.1300   0.2295   8.9520   0.3192   9.3080   0.3299 -0.3558000 0.4590000 
1 1 1  -60    4   23 o   4.0300   0.5099   3.9170   0.7108   4.1440   0.7313 -0.2274000 1.020000 
1 1 1  -60    6    1 o   4.4180   0.4870   4.2540   0.8036   4.5830   0.5503 -0.3284000 0.9739000 
1 1 1  -60    6    2 f   3.7600   0.5235   4.3100   0.7500   3.2090   0.7307 1.101000 1.047000 
1 1 1  -60    6    3 o   2.1340   0.5535   2.8090   0.8867   1.4580   0.6626 1.350000 1.107000 
1 1 1  -60    6    4 o   3.1770   0.5010   3.3140   0.6396   3.0410   0.7713 0.2730000 1.002000 
1 1 1  -60    6    5 o   8.2510   0.4401   7.9450   0.7437   8.5580   0.4709 -0.6128000 0.8802000 
1 1 1  -60    6    6 o   5.3230   0.6649   4.8370   1.1340   5.8090   0.6944 -0.9724000 1.330000 
1 1 1  -60    6    7 o   7.7770   0.4333   7.9930   0.6821   7.5610   0.5347 0.4316000 0.8667000 
1 1 1  -60    6    8 o   10.590   0.3355   10.120   0.5598   11.050   0.3700 -0.9265000 0.6710000 
1 1 1  -60    6    9 o   7.0440   0.4683   7.2480   0.7706   6.8400   0.5324 0.4083000 0.9366000 
1 1 1  -60    6   10 f   2.7690   0.7178   2.3950   1.0570   3.1440   0.9718 -0.7494000 1.436000 
1 1 1  -60    6   11 o   3.0380   0.7571   3.0180   1.1530   3.0570   0.9810 -0.3966000E-01 1.514000 
1 1 1  -60    6   12 o   7.3930   0.4205   7.4790   0.6800   7.3060   0.4950 0.1725000 0.8411000 
1 1 1  -60    6   13 o   3.6800   0.6397   3.2410   0.9478   4.1190   0.8594 -0.8778000 1.279000 
1 1 1  -60    6   14 f   3.7340   0.6374   3.5930   0.9221   3.8740   0.8801 -0.2815000 1.275000 
1 1 1  -60    6   15 o   6.1570   0.4215   6.7780   0.5312   5.5350   0.6545 1.243000 0.8429000 
1 1 1  -60    6   16 f   2.4580   0.6633   2.8030   0.9772   2.1130   0.8972 0.6895000 1.327000 
1 1 1  -60    6   17 o   4.1690   0.5039   4.0150   0.9092   4.3220   0.4349 -0.3066000 1.008000 
1 1 1  -60    6   18 o   2.3340   0.5175   1.6700   0.7358   2.9980   0.7279 -1.328000 1.035000 
1 1 1  -60    6   19 f   2.8470   0.5530   2.7800   0.7703   2.9140   0.7938 -0.1340000 1.106000 
1 1 1  -60    6   20 o   6.0770   0.2973   6.4290   0.3801   5.7260   0.4573 0.7032000 0.5946000 
1 1 1  -60    6   21 o   9.8110   0.2841   10.410   0.3272   9.2070   0.4645 1.208000 0.5681000 
1 1 1  -60    6   22 o   13.460   0.1904   13.430   0.2514   13.480   0.2860 -0.5531000E-01 0.3808000 
1 1 1  -60    6   23 o   8.6830   0.2761   8.6280   0.3982   8.7380   0.3825 -0.1097000 0.5521000 
1 1 1  -60    8    1 o   8.5470   0.2958   8.3170   0.4521   8.7760   0.3817 -0.4596000 0.5917000 
1 1 1  -60    8    2 o   4.1990   0.5020   5.0400   0.6690   3.3580   0.7486 1.681000 1.004000 
1 1 1  -60    8    3 o   1.9650   0.5653   1.8520   0.8207   2.0770   0.7778 -0.2253000 1.131000 
1 1 1  -60    8    4 o   3.5570   0.5429   3.4800   0.7762   3.6340   0.7592 -0.1540000 1.086000 
1 1 1  -60    8    5 o   4.5700   0.6719   4.7700   1.2400   4.3700   0.5172 0.3992000 1.344000 
1 1 1  -60    8    6 o   3.3020   0.7628   2.5080   1.1250   4.0960   1.0300 -1.588000 1.526000 
1 1 1  -60    8    7 o   5.5710   0.7022   4.4570   1.2490   6.6860   0.6419 -2.229000 1.404000 
1 1 1  -60    8    8 o   3.2860   0.8292   3.5960   1.2670   2.9770   1.0700 0.6186000 1.658000 
1 1 1  -60    8    9 o   2.8460   0.7720   3.7400   1.2610   1.9510   0.8914 1.788000 1.544000 
1 1 1  -60    8   10 o   8.2450   0.4780   8.5210   0.8022   7.9700   0.5200 0.5505000 0.9560000 
1 1 1  -60    8   11 o   8.3940   0.4577   7.8890   0.7796   8.8980   0.4797 -1.008000 0.9154000 
1 1 1  -60    8   12 o   4.7080   0.5966   5.2190   0.7443   4.1980   0.9326 1.021000 1.193000 
1 1 1  -60    8   13 o   4.2930   0.6382   4.0870   0.9231   4.5000   0.8816 -0.4126000 1.276000 
1 1 1  -60    8   14 o   2.7270   0.7254   2.7600   1.0230   2.6940   1.0290 0.6693000E-01 1.451000 
1 1 1  -60    8   15 o   8.6590   0.3416   8.5080   0.4927   8.8100   0.4733 -0.3018000 0.6833000 
1 1 1  -60    8   16 o   9.0530   0.2658   8.6530   0.4847   9.4530   0.2181 -0.8005000 0.5315000 
1 1 1  -60    8   17 o   3.8060   0.3753   3.7450   0.4749   3.8670   0.5812 -0.1221000 0.7506000 
1 1 1  -60    8   18 o   7.7920   0.2299   8.1660   0.3601   7.4180   0.2860 0.7482000 0.4598000 
1 1 1  -60    8   19 o   2.3840   0.4989   1.6130   0.7158   3.1560   0.6951 -1.543000 0.9978000 
1 1 1  -60    8   20 o   3.3200   0.4768   1.7320   0.7532   4.9070   0.5848 -3.174000 0.9536000 
1 1 1  -60    8   21 o   2.0860   0.6929   1.7670   0.8239   2.4050   1.1140 -0.6376000 1.386000 
1 1 1  -60    8   22 o   1.5420   0.5206   1.4710   0.6968   1.6120   0.7736 -0.1411000 1.041000 
1 1 1  -60   10    1 o   10.980   0.2938   11.190   0.4938   10.770   0.3186 0.4127000 0.5876000 
1 1 1  -60   10    2 o   9.5390   0.3366   9.6830   0.5099   9.3960   0.4395 0.2864000 0.6732000 
1 1 1  -60   10    3 o   3.5280   0.5373   3.8570   0.7492   3.2000   0.7703 0.6574000 1.075000 
1 1 1  -60   10    4 o   1.9290   0.5498   1.8280   0.7738   2.0300   0.7814 -0.2024000 1.100000 
1 1 1  -60   10    5 o   6.1240   0.2653   6.4490   0.3730   5.7990   0.3774 0.6498000 0.5306000 
1 1 1  -60   10    6 o   5.6160   0.6486   5.5300   1.2000   5.7020   0.4927 -0.1719000 1.297000 
1 1 1  -60   10    7 o   4.2090   0.7187   3.9220   1.3570   4.4960   0.4753 -0.5737000 1.437000 
1 1 1  -60   10    8 o   1.9550   0.6333   2.3610   1.0960   1.5490   0.6343 0.8116000 1.267000 
1 1 1  -60   10    9 o   4.1010   0.7820   3.1990   1.2830   5.0030   0.8940 -1.805000 1.564000 
1 1 1  -60   10   10 f   2.5920   0.8007   2.8240   1.2390   2.3610   1.0140 0.4625000 1.601000 
1 1 1  -60   10   11 o   8.9510   0.3734   9.2630   0.5183   8.6400   0.5376 0.6231000 0.7467000 
1 1 1  -60   10   12 o   2.6500   0.6710   1.6560   0.8015   3.6450   1.0760 -1.989000 1.342000 
1 1 1  -60   10   13 o   4.3800   0.6873   4.8790   0.8755   3.8800   1.0600 0.9986000 1.375000 
1 1 1  -60   10   14 o   4.9190   0.4801   4.9480   0.8790   4.8910   0.3862 0.5741000E-01 0.9601000 
1 1 1  -60   10   15 o   5.5750   0.2571   5.7180   0.3354   5.4320   0.3898 0.2858000 0.5143000 
1 1 1  -60   10   16 o   3.6310   0.4560   3.7730   0.7372   3.4880   0.5370 0.2852000 0.9121000 
1 1 1  -60   10   17 o   4.8210   0.3340   4.7830   0.5126   4.8590   0.4284 -0.7598000E-01 0.6680000 
1 1 1  -60   10   18 o   5.7210   0.3192   5.8200   0.4603   5.6220   0.4422 0.1977000 0.6383000 
1 1 1  -60   10   19 f   4.7450   0.4032   4.9680   0.5246   4.5220   0.6124 0.4459000 0.8064000 
1 1 1  -60   10   20 o   7.0470   0.3407   6.9150   0.4884   7.1800   0.4753 -0.2648000 0.6815000 
1 1 1  -60   10   21 o   2.1210   0.6127   1.8560   0.8058   2.3870   0.9232 -0.5309000 1.225000 
1 1 1  -60   12    1 o   2.2150   0.6236   2.5080   0.9294   1.9210   0.8318 0.5870000 1.247000 
1 1 1  -60   12    2 o   6.9730   0.3168   6.5130   0.4919   7.4330   0.3992 -0.9194000 0.6335000 
1 1 1  -60   12    3 o   2.7370   0.7029   2.6570   1.0380   2.8170   0.9483 -0.1600000 1.406000 
1 1 1  -60   12    4 o   2.0350   0.5880   2.3760   0.8785   1.6940   0.7819 0.6818000 1.176000 
1 1 1  -60   12    5 o   1.8150   0.5390   2.2690   0.8603   1.3610   0.6494 0.9079000 1.078000 
1 1 1  -60   12    6 o   5.8350   0.3755   5.9530   0.6224   5.7180   0.4202 0.2347000 0.7509000 
1 1 1  -60   12    7 o   2.6700   0.5339   1.7070   0.7998   3.6340   0.7074 -1.927000 1.068000 
1 1 1  -60   12    8 o   4.6800   0.5243   4.2740   0.9318   5.0850   0.4809 -0.8110000 1.049000 
1 1 1  -60   12    9 o   8.1950   0.3136  ?   ?    8.1950   0.3136      ?      ? 
1 1 1  -60   12   10 o   2.8250   0.7860  ?   ?    2.8250   0.7860      ?      ? 
1 1 1  -60   12   11 o   5.6930   0.5854   6.0020   1.0960   5.3840   0.4120 0.6175000 1.171000 
1 1 1  -60   12   12 o   5.6920   0.6335   5.5100   1.2070   5.8740   0.3859 -0.3643000 1.267000 
1 1 1  -60   12   13 o   4.4210   0.5983   4.2710   1.0910   4.5710   0.4907 -0.2994000 1.197000 
1 1 1  -60   12   14 o   5.2520   0.3093   5.5270   0.4415   4.9780   0.4333 0.5490000 0.6186000 
1 1 1  -60   12   15 o   3.7840   0.4448   3.8810   0.6462   3.6870   0.6113 0.1942000 0.8895000 
1 1 1  -60   12   16 o   4.9120   0.3528   4.4320   0.5629   5.3920   0.4255 -0.9608000 0.7056000 
1 1 1  -60   12   17 o   2.1050   0.5726   1.8900   0.7935   2.3200   0.8256 -0.4302000 1.145000 
1 1 1  -60   12   18 o   3.5220   0.6278   3.6680   0.8743   3.3760   0.9010 0.2917000 1.256000 
1 1 1  -60   12   19 o   4.9100   0.4302   4.9700   0.6790   4.8490   0.5285 0.1209000 0.8604000 
1 1 1  -60   14    1 o   5.0890   0.4980   5.0640   0.7151   5.1130   0.6933 -0.4839000E-01 0.9960000 
1 1 1  -60   14    2 o   1.9360   0.6060   1.8930   0.8538   1.9780   0.8603 -0.8481000E-01 1.212000 
1 1 1  -60   14    3 o   2.5930   0.6585   2.8140   0.9737   2.3730   0.8867 0.4417000 1.317000 
1 1 1  -60   14    4 o   2.3250   0.6406   2.3700   0.9394   2.2810   0.8711 0.8873000E-01 1.281000 
1 1 1  -60   14    5 o   1.6890   0.5411   1.5390   0.7311   1.8400   0.7979 -0.3007000 1.082000 
1 1 1  -60   14    6 o   2.2280   0.6635   2.2830   0.9773   2.1730   0.8978 0.1100000 1.327000 
1 1 1  -60   14    7 o   2.8690   0.7036   3.3980   1.0690   2.3400   0.9156 1.059000 1.407000 
1 1 1  -60   14    8 o   5.3890   0.5038   5.0960   0.8404   5.6810   0.5559 -0.5846000 1.008000 
1 1 1  -60   14    9 o   2.3500   0.6039   1.8570   0.8658   2.8440   0.8422 -0.9869000 1.208000 
1 1 1  -60   14   10 o   2.3170   0.6304   2.1060   0.9304   2.5280   0.8509 -0.4216000 1.261000 
1 1 1  -60   14   11 o   5.4290   0.4211   5.1600   0.6874   5.6970   0.4865 -0.5362000 0.8422000 
1 1 1  -60   14   12 f   6.2440   0.3623   5.8260   0.6052   6.6630   0.3985 -0.8368000 0.7247000 
1 1 1  -60   14   13 o   8.6760   0.2712   8.2790   0.4460   9.0740   0.3087 -0.7951000 0.5425000 
1 1 1  -60   14   14 o   4.8630   0.5105   5.3650   0.6810   4.3600   0.7606 1.005000 1.021000 
1 1 1  -60   14   15 o   2.8910   0.6483   2.3800   0.9423   3.4020   0.8906 -1.022000 1.297000 
1 1 1  -60   14   16 o   3.5420   0.6291   4.3940   0.8319   2.6890   0.9439 1.705000 1.258000 
1 1 1  -60   14   17 o   2.5090   0.6140   1.9520   0.8736   3.0660   0.8630 -1.114000 1.228000 
1 1 1  -60   16    1 o   4.0670   0.6298   3.5820   1.0050   4.5510   0.7595 -0.9696000 1.260000 
1 1 1  -60   16    2 o   2.6360   0.6884   2.6230   1.0020   2.6490   0.9446 -0.2666000E-01 1.377000 
1 1 1  -60   16    3 o   2.0900   0.6358   2.1260   0.9219   2.0530   0.8759 0.7266000E-01 1.272000 
1 1 1  -60   16    4 o   2.0920   0.6310   2.0340   0.8946   2.1490   0.8902 -0.1150000 1.262000 
1 1 1  -60   16    5 f   1.7250   0.5644   1.9780   0.8800   1.4710   0.7068 0.5066000 1.129000 
1 1 1  -60   16    6 o   3.4320   0.6539   3.3310   1.0000   3.5340   0.8422 -0.2032000 1.308000 
1 1 1  -60   16    7 o   6.1170   0.4717   5.8900   0.8015   6.3430   0.4974 -0.4528000 0.9433000 
1 1 1  -60   16    8 o   3.9230   0.6708   3.5950   1.1260   4.2510   0.7291 -0.6556000 1.342000 
1 1 1  -60   16    9 o   3.8080   0.6880   4.3060   1.0510   3.3100   0.8883 0.9965000 1.376000 
1 1 1  -60   16   10 o   3.1140   0.6855   2.7200   1.0700   3.5080   0.8571 -0.7873000 1.371000 
1 1 1  -60   16   11 o   2.1630   0.6474   2.1450   0.9512   2.1810   0.8784 -0.3628000E-01 1.295000 
1 1 1  -60   16   12 o   3.0470   0.7152   3.4450   1.0930   2.6490   0.9232 0.7958000 1.430000 
1 1 1  -60   16   13 o   1.6010   0.5364   1.6260   0.7789   1.5750   0.7376 0.5139000E-01 1.073000 
1 1 1  -59    1    1 o   6.0920   0.3984   6.9500   0.4487   5.2330   0.6584 1.717000 0.7968000 
1 1 1  -59    1    2 o   3.7140   0.4960   3.1600   0.8677   4.2690   0.4808 -1.109000 0.9920000 
1 1 1  -59    1    3 o   3.6950   0.3724   3.3170   0.5729   4.0730   0.4758 -0.7554000 0.7447000 
1 1 1  -59    1    4 o   4.0790   0.3233   4.3500   0.4564   3.8090   0.4580 0.5404000 0.6466000 
1 1 1  -59    1    5 o   4.3210   0.2581   3.8660   0.3528   4.7750   0.3768 -0.9094000 0.5162000 
1 1 1  -59    1    6 o   3.9280   0.4637   3.6390   0.6118   4.2170   0.6970 -0.5781000 0.9274000 
1 1 1  -59    1    7 o   5.3740   0.3347  ?   ?    5.3740   0.3347      ?      ? 
1 1 1  -59    1    8 o   4.5780   0.3257   4.9750   0.5471   4.1810   0.3535 0.7934000 0.6514000 
1 1 1  -59    1    9 o   5.0360   0.4552   5.0360   0.4552  ?   ?       ?      ? 
1 1 1  -59    1   10 o   6.6110   0.3242   6.6110   0.3242  ?   ?       ?      ? 
1 1 1  -59    1   11 o   6.5200   0.3312   6.5200   0.3312  ?   ?       ?      ? 
1 1 1  -59    1   12 o   14.490   0.2015   14.320   0.2827   14.660   0.2873 -0.3490000 0.4030000 
1 1 1  -59    1   13 o   9.1200   0.2262  ?   ?    9.1200   0.2262      ?      ? 
1 1 1  -59    1   14 o   3.6420   0.5681   2.5180   0.8518   4.7670   0.7518 -2.250000 1.136000 
1 1 1  -59    1   15 o   6.8240   0.2496   6.8190   0.3435   6.8280   0.3623 -0.8889000E-02 0.4993000 
1 1 1  -59    1   16 o   11.040   0.1343   10.740   0.1755   11.340   0.2033 -0.6054000 0.2686000 
1 1 1  -59    1   17 o   12.980   0.1405   12.930   0.1839   13.030   0.2125 -0.9932000E-01 0.2810000 
1 1 1  -59    1   18 o   7.6270   0.2079   7.5100   0.2819   7.7430   0.3056 -0.2327000 0.4158000 
1 1 1  -59    1   19 o   2.3830   0.5707   1.7210   0.7579   3.0450   0.8535 -1.324000 1.141000 
1 1 1  -59    1   20 o   14.190   0.1957   14.100   0.2434   14.270   0.3065 -0.1710000 0.3914000 
1 1 1  -59    1   21 o   8.1320   0.2362   8.4160   0.2983   7.8490   0.3663 0.5673000 0.4724000 
1 1 1  -59    1   22 o   3.9630   0.4910   4.3850   0.5821   3.5400   0.7909 0.8442000 0.9820000 
1 1 1  -59    1   23 o   3.1730   0.5870   2.7140   0.8567   3.6320   0.8027 -0.9183000 1.174000 
1 1 1  -59    1   24 o   2.7810   0.6222   2.8790   0.8511   2.6830   0.9077 0.1965000 1.244000 
1 1 1  -59    1   25 o   6.5380   1.1440   6.5380   1.1440  ?   ?       ?      ? 
1 1 1  -59    3    1 o   4.0480   0.5008   4.0650   0.7909   4.0310   0.6145 0.3422000E-01 1.002000 
1 1 1  -59    3    2 o   5.0540   0.3769   4.6590   0.6386   5.4490   0.4005 -0.7896000 0.7538000 
1 1 1  -59    3    3 o   4.3970   0.4082   3.9210   0.6822   4.8730   0.4484 -0.9516000 0.8164000 
1 1 1  -59    3    4 o   1.7480   0.4962   1.6920   0.6370   1.8050   0.7609 -0.1125000 0.9924000 
1 1 1  -59    3    5 o   5.8280   0.5012   5.7500   0.8596   5.9060   0.5156 -0.1559000 1.002000 
1 1 1  -59    3    6 o   13.050   0.2573   13.170   0.4284   12.920   0.2853 0.2476000 0.5147000 
1 1 1  -59    3    7 o   3.8220   0.6262   4.2740   0.9586   3.3710   0.8061 0.9023000 1.252000 
1 1 1  -59    3    8 o   6.3250   0.4043   6.2710   0.6824   6.3800   0.4338 -0.1083000 0.8086000 
1 1 1  -59    3    9 o   7.6690   0.3182   8.2210   0.4963   7.1160   0.3985 1.105000 0.6365000 
1 1 1  -59    3   10 o   10.710   0.2529   10.630   0.4140   10.790   0.2904 -0.1606000 0.5057000 
1 1 1  -59    3   11 o   7.3970   0.3113   7.0740   0.5143   7.7200   0.3509 -0.6460000 0.6226000 
1 1 1  -59    3   12 o   9.6320   0.2596   9.6500   0.4242   9.6140   0.2993 0.3579000E-01 0.5191000 
1 1 1  -59    3   13 o   7.0060   0.2762   7.3100   0.3700   6.7020   0.4101 0.6087000 0.5524000 
1 1 1  -59    3   14 o   16.030   0.1876   16.250   0.2627   15.800   0.2679 0.4505000 0.3752000 
1 1 1  -59    3   15 o   9.5250   0.2341   9.3260   0.3322   9.7240   0.3301 -0.3977000 0.4683000 
1 1 1  -59    3   16 o   11.600   0.2624   11.730   0.4308   11.460   0.2998 0.2700000 0.5249000 
1 1 1  -59    3   17 o   10.360   0.1643   10.600   0.2062   10.130   0.2558 0.4679000 0.3285000 
1 1 1  -59    3   18 o   10.090   0.1734   10.360   0.2286   9.8270   0.2607 0.5314000 0.3467000 
1 1 1  -59    3   19 o   5.3040   0.3191   4.6920   0.4887   5.9150   0.4104 -1.223000 0.6381000 
1 1 1  -59    3   20 o   1.7540   0.5301   1.7980   0.7463   1.7100   0.7530 0.8737000E-01 1.060000 
1 1 1  -59    3   21 o   2.4370   0.6538   2.1670   0.8574   2.7080   0.9874 -0.5417000 1.308000 
1 1 1  -59    3   22 o   5.8880   0.3402   6.2780   0.4239   5.4980   0.5321 0.7796000 0.6803000 
1 1 1  -59    3   23 o   4.4450   0.4577   4.6570   0.5939   4.2340   0.6966 0.4236000 0.9155000 
1 1 1  -59    3   24 o   10.230   0.2242   10.060   0.3013   10.390   0.3320 -0.3269000 0.4484000 
1 1 1  -59    5    1 o   6.1400   0.3383   6.2700   0.5297   6.0110   0.4210 0.2593000 0.6767000 
1 1 1  -59    5    2 o   5.0840   0.3991   4.4430   0.6828   5.7240   0.4132 -1.280000 0.7981000 
1 1 1  -59    5    3 o   4.6880   0.4010   4.5540   0.5944   4.8210   0.5383 -0.2670000 0.8020000 
1 1 1  -59    5    4 o   1.8160   0.5025   1.9910   0.7109   1.6410   0.7105 0.3501000 1.005000 
1 1 1  -59    5    5 o   4.2700   0.7190   4.0280   1.1800   4.5110   0.8226 -0.4828000 1.438000 
1 1 1  -59    5    6 o   7.4780   0.4101   8.0830   0.6525   6.8720   0.4968 1.212000 0.8201000 
1 1 1  -59    5    7 o   3.3730   0.7393   2.4890   1.0590   4.2570   1.0320 -1.768000 1.479000 
1 1 1  -59    5    8 o   7.5000   0.4464   7.2690   0.6601   7.7320   0.6011 -0.4637000 0.8927000 
1 1 1  -59    5    9 o   8.4740   0.4131   9.1760   0.5789   7.7730   0.5895 1.402000 0.8262000 
1 1 1  -59    5   10 o   3.3190   0.7945   3.6310   1.1710   3.0060   1.0750 0.6255000 1.589000 
1 1 1  -59    5   11 f   2.4290   0.7287   2.4940   1.0560   2.3640   1.0040 0.1300000 1.457000 
1 1 1  -59    5   12 o   6.1410   0.5263   6.5720   0.7285   5.7100   0.7596 0.8629000 1.053000 
1 1 1  -59    5   13 o   11.720   0.3125   11.780   0.4526   11.650   0.4311 0.1239000 0.6250000 
1 1 1  -59    5   14 o   8.3550   0.2918   8.4650   0.4034   8.2460   0.4217 0.2191000 0.5836000 
1 1 1  -59    5   15 o   5.4980   0.4298   5.5460   0.6051   5.4500   0.6107 0.9615000E-01 0.8597000 
1 1 1  -59    5   16 o   12.210   0.2320   12.480   0.3241   11.930   0.3319 0.5585000 0.4639000 
1 1 1  -59    5   17 o   5.7890   0.3539   6.0480   0.3503   5.5290   0.6150 0.5182000 0.7077000 
1 1 1  -59    5   18 o   2.1950   0.5585   2.4700   0.8188   1.9200   0.7598 0.5498000 1.117000 
1 1 1  -59    5   19 o   2.5750   0.5663   2.6660   0.7795   2.4830   0.8216 0.1834000 1.133000 
1 1 1  -59    5   20 f   5.4210   0.3321   5.3370   0.4566   5.5050   0.4825 -0.1677000 0.6643000 
1 1 1  -59    5   21 o   7.0010   0.3617   7.0940   0.4491   6.9080   0.5672 0.1853000 0.7235000 
1 1 1  -59    5   22 o   12.610   0.1953   12.750   0.2654   12.470   0.2866 0.2799000 0.3906000 
1 1 1  -59    5   23 o   13.930   0.1913   13.800   0.2584   14.070   0.2822 -0.2671000 0.3826000 
1 1 1  -59    5   24 o   2.8220   0.6903   3.8160   1.0860   1.8280   0.8530 1.988000 1.381000 
1 1 1  -59    7    1 o   3.6020   0.5778   3.0800   0.9659   4.1240   0.6342 -1.044000 1.156000 
1 1 1  -59    7    2 o   6.2720   0.3202   6.3660   0.5042   6.1780   0.3950 0.1882000 0.6405000 
1 1 1  -59    7    3 o   3.0260   0.5298   2.3440   0.8784   3.7080   0.5925 -1.364000 1.060000 
1 1 1  -59    7    4 o   8.3920   0.2296   8.1440   0.3342   8.6400   0.3150 -0.4960000 0.4593000 
1 1 1  -59    7    5 o   2.1160   0.6189   2.1240   1.0070   2.1070   0.7203 0.1722000E-01 1.238000 
1 1 1  -59    7    6 o   14.310   0.3127   14.110   0.5112   14.510   0.3604 -0.4030000 0.6255000 
1 1 1  -59    7    7 o   4.4660   0.7390   4.1880   1.2110   4.7440   0.8469 -0.5558000 1.478000 
1 1 1  -59    7    8 o   4.6490   0.7130   4.9450   1.1120   4.3530   0.8927 0.5920000 1.426000 
1 1 1  -59    7    9 f   5.6760   0.6168   7.0630   0.8541   4.2900   0.8901 2.773000 1.234000 
1 1 1  -59    7   10 o   8.2460   0.4438   8.5050   0.7447   7.9860   0.4831 0.5193000 0.8877000 
1 1 1  -59    7   11 o   2.9660   0.7810   2.9780   1.1920   2.9550   1.0090 0.2278000E-01 1.562000 
1 1 1  -59    7   12 o   8.3380   0.3286   8.5920   0.4455   8.0850   0.4832 0.5070000 0.6572000 
1 1 1  -59    7   13 o   6.4630   0.4077   6.6390   0.5477   6.2870   0.6041 0.3524000 0.8154000 
1 1 1  -59    7   14 o   3.9170   0.6500   4.4250   0.8467   3.4100   0.9864 1.015000 1.300000 
1 1 1  -59    7   15 o   9.1700   0.3060   9.3170   0.4256   9.0220   0.4399 0.2954000 0.6121000 
1 1 1  -59    7   16 o   7.4770   0.3054   6.8270   0.5665   8.1270   0.2285 -1.300000 0.6109000 
1 1 1  -59    7   17 o   5.2540   0.2642   5.0080   0.3529   5.5000   0.3933 -0.4928000 0.5284000 
1 1 1  -59    7   18 o   7.0490   0.2175   7.1180   0.3203   6.9810   0.2943 0.1369000 0.4350000 
1 1 1  -59    7   19 o   7.4980   0.2535   8.0640   0.3110   6.9320   0.4005 1.132000 0.5071000 
1 1 1  -59    7   20 o   3.7590   0.5115   4.3780   0.5817   3.1400   0.8414 1.238000 1.023000 
1 1 1  -59    7   21 o   2.2720   0.6348   2.6950   0.9330   1.8490   0.8611 0.8454000 1.270000 
1 1 1  -59    7   22 o   6.0670   0.4183   6.5260   0.4911   5.6080   0.6772 0.9179000 0.8366000 
1 1 1  -59    7   23 o   13.760   0.2211   13.780   0.2663   13.730   0.3531 0.4460000E-01 0.4423000 
1 1 1  -59    9    1 f   5.2600   0.5068   4.8550   0.8344   5.6650   0.5755 -0.8095000 1.014000 
1 1 1  -59    9    2 o   5.7510   0.3274   6.1280   0.4406   5.3730   0.4845 0.7549000 0.6549000 
1 1 1  -59    9    3 o   4.9480   0.4143   5.0700   0.6679   4.8270   0.4902 0.2429000 0.8285000 
1 1 1  -59    9    4 o   7.3870   0.2649   7.2290   0.4365   7.5450   0.3003 -0.3159000 0.5298000 
1 1 1  -59    9    5 o   4.0870   0.4878   3.4550   0.7808   4.7190   0.5850 -1.264000 0.9757000 
1 1 1  -59    9    6 o   3.8470   0.6953   3.6620   1.2870   4.0330   0.5258 -0.3711000 1.391000 
1 1 1  -59    9    7 o   2.8900   0.8140   3.2140   1.2470   2.5670   1.0460 0.6465000 1.628000 
1 1 1  -59    9    8 o   5.2330   0.7165   5.0550   1.1930   5.4120   0.7934 -0.3564000 1.433000 
1 1 1  -59    9    9 o   5.4800   0.6726   5.6030   1.0890   5.3560   0.7902 0.2480000 1.345000 
1 1 1  -59    9   10 o   2.8280   0.8263   3.2070   1.3020   2.4500   1.0170 0.7575000 1.653000 
1 1 1  -59    9   11 o   10.250   0.3121   10.280   0.4316   10.230   0.4510 0.5041000E-01 0.6243000 
1 1 1  -59    9   12 o   7.3240   0.4054   7.7520   0.5325   6.8950   0.6114 0.8572000 0.8108000 
1 1 1  -59    9   13 o   7.0720   0.4097   6.9560   0.5820   7.1890   0.5768 -0.2332000 0.8194000 
1 1 1  -59    9   14 o   2.5830   0.6712   3.3390   1.0330   1.8260   0.8578 1.513000 1.342000 
1 1 1  -59    9   15 o   5.4710   0.4381   4.9690   0.8091   5.9740   0.3364 -1.005000 0.8762000 
1 1 1  -59    9   16 o   2.7670   0.4967   2.9680   0.6061   2.5670   0.7872 0.4005000 0.9934000 
1 1 1  -59    9   17 o   6.1960   0.2480   6.3420   0.3623   6.0500   0.3388 0.2917000 0.4960000 
1 1 1  -59    9   18 o   6.7480   0.2520   6.3530   0.3899   7.1440   0.3193 -0.7911000 0.5039000 
1 1 1  -59    9   19 o   3.0620   0.5709   2.5180   0.8797   3.6060   0.7279 -1.088000 1.142000 
1 1 1  -59    9   20 o   5.2250   0.7574   6.3860   0.5795   4.0650   1.4000 2.321000 1.515000 
1 1 1  -59    9   21 o   4.9860   0.4316   4.9570   0.5673   5.0140   0.6506 -0.5687000E-01 0.8632000 
1 1 1  -59    9   22 o   3.2270   0.6261   3.1440   0.8699   3.3090   0.9006 -0.1646000 1.252000 
1 1 1  -59   11    1 o   2.1010   0.5935   2.5980   0.9230   1.6040   0.7462 0.9942000 1.187000 
1 1 1  -59   11    2 o   4.7420   0.5644   4.8810   0.8554   4.6040   0.7366 0.2764000 1.129000 
1 1 1  -59   11    3 o   3.1880   0.6582   3.3300   0.8563   3.0460   0.9997 0.2845000 1.316000 
1 1 1  -59   11    4 o   8.8690   0.2423   8.8230   0.3565   8.9150   0.3281 -0.9184000E-01 0.4845000 
1 1 1  -59   11    5 o   3.2820   0.5588   3.4650   0.7852   3.1000   0.7954 0.3653000 1.118000 
1 1 1  -59   11    6 o   5.1900   0.4272   5.3340   0.7363   5.0460   0.4332 0.2879000 0.8543000 
1 1 1  -59   11    7 o   2.6030   0.7608   3.1980   1.3240   2.0070   0.7499 1.192000 1.522000 
1 1 1  -59   11    8 o   3.9990   0.8113   5.0200   1.3560   2.9770   0.8914 2.043000 1.623000 
1 1 1  -59   11    9 o   5.0380   0.4003   4.4520   0.5987   5.6230   0.5317 -1.171000 0.8007000 
1 1 1  -59   11   10 o   4.0040   0.4561   4.6220   0.5521   3.3860   0.7262 1.236000 0.9122000 
1 1 1  -59   11   11 o   6.0330   0.2792   5.6450   0.4108   6.4210   0.3782 -0.7756000 0.5584000 
1 1 1  -59   11   12 o   4.4410   0.3548   4.7580   0.3570   4.1230   0.6134 0.6351000 0.7097000 
1 1 1  -59   11   13 o   10.060   0.1852   10.280   0.2245   9.8330   0.2946 0.4485000 0.3704000 
1 1 1  -59   11   14 o   4.6150   0.3942   4.7060   0.6376   4.5240   0.4638 0.1825000 0.7884000 
1 1 1  -59   11   15 o   9.9070   0.1876   9.8550   0.2774   9.9580   0.2526 -0.1031000 0.3752000 
1 1 1  -59   11   16 o   4.4730   0.3933   4.6610   0.5581   4.2840   0.5543 0.3770000 0.7866000 
1 1 1  -59   11   17 o   5.6960   0.3012   5.8460   0.4313   5.5460   0.4205 0.3001000 0.6024000 
1 1 1  -59   11   18 o   8.9120   0.2169   8.9220   0.3184   8.9030   0.2946 0.1826000E-01 0.4338000 
1 1 1  -59   11   19 o   1.7660   0.5713   1.7430   0.8045   1.7880   0.8112 -0.4521000E-01 1.143000 
1 1 1  -59   11   20 o   7.1240   0.2832   6.9520   0.4192   7.2950   0.3808 -0.3428000 0.5663000 
1 1 1  -59   11   21 o   2.3000   0.6118   1.8770   0.8424   2.7220   0.8874 -0.8450000 1.224000 
1 1 1  -59   13    1 o   2.9920   0.6638   2.9800   0.9595   3.0040   0.9177 -0.2409000E-01 1.328000 
1 1 1  -59   13    2 o   1.7540   0.5462   1.3490   0.6641   2.1580   0.8673 -0.8089000 1.092000 
1 1 1  -59   13    3 o   2.9950   0.6340   3.2420   0.9120   2.7490   0.8810 0.4933000 1.268000 
1 1 1  -59   13    4 f   3.0640   0.6902   3.3190   1.0740   2.8100   0.8671 0.5095000 1.380000 
1 1 1  -59   13    5 o   2.5720   0.6957   2.6250   1.0340   2.5190   0.9308 0.1065000 1.391000 
1 1 1  -59   13    6 o   2.0300   0.5891   2.4140   0.8975   1.6450   0.7633 0.7689000 1.178000 
1 1 1  -59   13    7 o   2.2280   0.6219   2.0530   0.9101   2.4030   0.8478 -0.3504000 1.244000 
1 1 1  -59   13    8 o   3.2330   0.6322   2.8680   1.0440   3.5970   0.7131 -0.7293000 1.264000 
1 1 1  -59   13    9 o   6.7820   0.3513   6.4970   0.6032   7.0680   0.3602 -0.5706000 0.7025000 
1 1 1  -59   13   10 o   5.6350   0.3776   5.1750   0.6357   6.0960   0.4077 -0.9206000 0.7552000 
1 1 1  -59   13   11 o   3.9480   0.5329   4.2360   0.8069   3.6590   0.6964 0.5772000 1.066000 
1 1 1  -59   13   12 o   2.0950   0.5992   2.1630   0.8995   2.0270   0.7918 0.1355000 1.198000 
1 1 1  -59   13   13 o   8.7670   0.2500   8.6880   0.4030   8.8460   0.2961 -0.1583000 0.5001000 
1 1 1  -59   13   14 o   6.9870   0.3106   6.9400   0.5036   7.0350   0.3636 -0.9466000E-01 0.6211000 
1 1 1  -59   13   15 o   2.1440   0.6105   2.2870   0.9200   2.0010   0.8026 0.2859000 1.221000 
1 1 1  -59   13   16 o   6.7570   0.3478   6.8240   0.5040   6.6910   0.4794 0.1334000 0.6956000 
1 1 1  -59   13   17 o   1.9580   0.6048   1.9140   0.8551   2.0030   0.8555 -0.8933000E-01 1.210000 
1 1 1  -59   13   18 o   3.0700   0.5584   2.2660   0.8727   3.8740   0.6971 -1.608000 1.117000 
1 1 1  -59   13   19 o   3.7280   0.5555   2.8990   0.9149   4.5560   0.6302 -1.657000 1.111000 
1 1 1  -59   15    1 o   7.3320   0.3516   7.2990   0.5318   7.3650   0.4601 -0.6514000E-01 0.7032000 
1 1 1  -59   15    2 o   5.1060   0.5248   4.4550   0.8519   5.7570   0.6131 -1.302000 1.050000 
1 1 1  -59   15    3 o   2.5920   0.6812   2.4190   0.9580   2.7650   0.9686 -0.3456000 1.362000 
1 1 1  -59   15    4 o   1.9820   0.6128   1.9850   0.8758   1.9790   0.8574 0.5086000E-02 1.226000 
1 1 1  -59   15    5 o   3.2880   0.6582   3.4470   0.9409   3.1290   0.9207 0.3172000 1.316000 
1 1 1  -59   15    6 o   1.9150   0.5955   2.1000   0.8976   1.7310   0.7826 0.3693000 1.191000 
1 1 1  -59   15    7 o   5.4300   0.4758   5.7310   0.7758   5.1300   0.5511 0.6008000 0.9516000 
1 1 1  -59   15    8 o   2.0760   0.6311   2.7190   1.0630   1.4330   0.6806 1.286000 1.262000 
1 1 1  -59   15    9 o   2.3020   0.6621   2.6950   1.0450   1.9100   0.8128 0.7857000 1.324000 
1 1 1  -59   15   10 o   3.9160   0.5868   4.3520   0.8543   3.4800   0.8046 0.8723000 1.174000 
1 1 1  -59   15   11 o   1.8960   0.5913   2.0870   0.9059   1.7050   0.7601 0.3820000 1.183000 
1 1 1  -59   15   12 o   5.3040   0.4492   5.8950   0.6571   4.7130   0.6128 1.182000 0.8985000 
1 1 1  -59   15   13 o   10.930   0.2511   10.630   0.4141   11.230   0.2841 -0.5992000 0.5022000 
1 1 1  -59   15   14 o   4.5380   0.5834   5.2270   0.8583   3.8490   0.7902 1.378000 1.167000 
1 1 1  -59   15   15 o   3.0440   0.6860   3.8040   1.0510   2.2830   0.8818 1.521000 1.372000 
1 1 1  -59   15   16 o   2.2640   0.6560   2.1790   0.9559   2.3490   0.8987 -0.1700000 1.312000 
1 1 1  -59   17    1 f   4.3030   0.6198   3.7760   1.0050   4.8300   0.7262 -1.054000 1.240000 
1 1 1  -59   17    2 o   3.9870   0.6262   4.6820   0.8234   3.2920   0.9436 1.390000 1.252000 
1 1 1  -59   17    3 o   3.5100   0.6784   3.6120   0.9857   3.4070   0.9322 0.2054000 1.357000 
1 1 1  -59   17    4 o   2.0140   0.6079   1.6440   0.7853   2.3830   0.9282 -0.7395000 1.216000 
1 1 1  -59   17    5 o   2.7920   0.6786   3.2650   1.0060   2.3190   0.9107 0.9452000 1.357000 
1 1 1  -59   17    6 o   3.4550   0.6588   4.1190   0.9344   2.7910   0.9290 1.328000 1.318000 
1 1 1  -59   17    7 o   3.0520   0.6073   2.0250   0.9472   4.0780   0.7605 -2.053000 1.215000 
1 1 1  -59   17    8 o   4.3260   0.6435   4.7980   1.0210   3.8540   0.7836 0.9438000 1.287000 
1 1 1  -59   17    9 o   1.6350   0.5530   1.7140   0.8320   1.5560   0.7285 0.1585000 1.106000 
1 1 1  -59   17   10 o   2.3850   0.6010   1.7150   0.8084   3.0540   0.8897 -1.340000 1.202000 
1 1 1  -59   17   11 o   6.4450   0.3806   6.3590   0.6071   6.5310   0.4592 -0.1714000 0.7612000 
1 1 1  -59   17   12 o   3.8890   0.6300   3.2250   1.0700   4.5520   0.6660 -1.327000 1.260000 
1 1 1  -58    0    1 o   2.1510   1.2810   2.1510   1.2810   2.1510   1.2810 -0.000000 0.000000 
1 1 1  -58    0    2 o   1.4850   0.8877   1.4850   0.8877   1.4850   0.8877 -0.000000 0.000000 
1 1 1  -58    0    3 o   1.0450   0.6857   1.0450   0.6857   1.0450   0.6857 -0.000000 0.000000 
1 1 1  -58    0    4 o   6.0180   0.2913   6.0180   0.2913   6.0180   0.2913 -0.000000 0.000000 
1 1 1  -58    0    5 o   10.710   0.2281   10.710   0.2281   10.710   0.2281 -0.000000 0.000000 
1 1 1  -58    0    6 o   14.850   0.1642   14.850   0.1642   14.850   0.1642 -0.000000 0.000000 
1 1 1  -58    0    7 o   11.060   0.2524   11.060   0.2524   11.060   0.2524 -0.000000 0.000000 
1 1 1  -58    0   14 o   5.4020   0.5101   5.4020   0.5101   5.4020   0.5101 -0.000000 0.000000 
1 1 1  -58    0   15 o   10.380   0.2467   10.380   0.2467   10.380   0.2467 -0.000000 0.000000 
1 1 1  -58    0   16 o   11.930   0.2080   11.930   0.2080   11.930   0.2080 -0.000000 0.000000 
1 1 1  -58    0   17 o   18.570   0.2134   18.570   0.2134   18.570   0.2134 -0.000000 0.000000 
1 1 1  -58    0   18 o   4.1570   0.5726   4.1570   0.5726   4.1570   0.5726 -0.000000 0.000000 
1 1 1  -58    0   19 f   7.2700   0.6214   7.2700   0.6214   7.2700   0.6214 -0.000000 0.000000 
1 1 1  -58    0   20 o   12.970   0.2568   12.970   0.2568   12.970   0.2568 -0.000000 0.000000 
1 1 1  -58    0   21 o   2.5590   1.0400   2.5590   1.0400   2.5590   1.0400 -0.000000 0.000000 
1 1 1  -58    0   22 o   14.590   0.2596   14.590   0.2596   14.590   0.2596 -0.000000 0.000000 
1 1 1  -58    0   23 o   1.2330   0.8270   1.2330   0.8270   1.2330   0.8270 -0.000000 0.000000 
1 1 1  -58    0   24 f   1.5200   0.9462   1.5200   0.9462   1.5200   0.9462 -0.000000 0.000000 
1 1 1  -58    0   25 o   13.850   0.2936   13.850   0.2936   13.850   0.2936 -0.000000 0.000000 
1 1 1  -58    2    1 o   2.2080   0.6131   2.2850   0.8895   2.1300   0.8441 0.1552000 1.226000 
1 1 1  -58    2    2 o   3.1310   0.5195   2.1200   0.8490   4.1420   0.5989 -2.022000 1.039000 
1 1 1  -58    2    3 o   8.8100   0.2058   8.8330   0.3290   8.7870   0.2474 0.4600000E-01 0.4116000 
1 1 1  -58    2    4 o   14.600   0.1409   14.500   0.1898   14.700   0.2082 -0.2043000 0.2817000 
1 1 1  -58    2    5 o   10.610   0.2751   11.010   0.4572   10.200   0.3060 0.8100000 0.5502000 
1 1 1  -58    2    6 o   6.5250   0.3702   6.8950   0.6103   6.1540   0.4193 0.7415000 0.7405000 
1 1 1  -58    2    7 o   10.240   0.2575   10.350   0.4392   10.130   0.2689 0.2222000 0.5150000 
1 1 1  -58    2    8 o   9.3210   0.2914   9.8770   0.4102   8.7650   0.4141 1.112000 0.5829000 
1 1 1  -58    2    9 o   11.950   0.3466  ?   ?    11.950   0.3466      ?      ? 
1 1 1  -58    2   10 o   6.9410   0.5603  ?   ?    6.9410   0.5603      ?      ? 
1 1 1  -58    2   11 o   9.6780   0.4326  ?   ?    9.6780   0.4326      ?      ? 
1 1 1  -58    2   12 o   8.3070   0.3196   8.7010   0.4063   7.9140   0.4934 0.7872000 0.6391000 
1 1 1  -58    2   13 o   3.9210   0.5271   3.3560   0.9128   4.4860   0.5272 -1.130000 1.054000 
1 1 1  -58    2   14 o   3.9610   0.4387   3.5540   0.6602   4.3680   0.5780 -0.8138000 0.8775000 
1 1 1  -58    2   15 o   4.6030   0.3968   4.7270   0.5212   4.4790   0.5985 0.2488000 0.7936000 
1 1 1  -58    2   16 o   11.420   0.1346   11.420   0.1729   11.410   0.2064 0.8565000E-02 0.2693000 
1 1 1  -58    2   17 f   13.690   0.1701   13.640   0.2660   13.730   0.2122 -0.8453000E-01 0.3403000 
1 1 1  -58    2   18 o   16.440   0.1714   16.100   0.2256   16.780   0.2582 -0.6812000 0.3428000 
1 1 1  -58    2   19 o   2.8520   0.5353   3.2410   0.6866   2.4620   0.8215 0.7790000 1.071000 
1 1 1  -58    2   20 o   5.5520   0.3956   5.7940   0.4588   5.3110   0.6445 0.4831000 0.7911000 
1 1 1  -58    2   21 o   7.7730   0.2481   8.0020   0.3167   7.5440   0.3820 0.4571000 0.4962000 
1 1 1  -58    2   22 o   1.9690   0.5768   1.8650   0.7893   2.0730   0.8413 -0.2078000 1.154000 
1 1 1  -58    2   23 o   4.3310   0.4734   3.5700   0.7603   5.0920   0.5642 -1.522000 0.9468000 
1 1 1  -58    2   24 o   3.1080   0.6113   2.9960   0.8566   3.2210   0.8722 -0.2252000 1.223000 
1 1 1  -58    2   25 o   7.6770   0.2867   7.8980   0.3682   7.4560   0.4395 0.4423000 0.5733000 
1 1 1  -58    4    1 o   9.1370   0.2371   8.8860   0.3801   9.3880   0.2835 -0.5024000 0.4742000 
1 1 1  -58    4    2 f   4.2370   0.4484   4.1100   0.7193   4.3630   0.5355 -0.2521000 0.8968000 
1 1 1  -58    4    3 o   6.2250   0.2954   5.7520   0.4520   6.6980   0.3806 -0.9464000 0.5909000 
1 1 1  -58    4    4 f   9.0080   0.1901   8.9950   0.2475   9.0210   0.2885 -0.2573000E-01 0.3802000 
1 1 1  -58    4    5 o   6.2820   0.5611   5.7940   0.8748   6.7710   0.7028 -0.9764000 1.122000 
1 1 1  -58    4    6 o   3.9480   0.6613   3.2110   1.1350   4.6850   0.6796 -1.473000 1.323000 
1 1 1  -58    4    7 o   6.8800   0.4082   6.7530   0.6792   7.0060   0.4532 -0.2527000 0.8165000 
1 1 1  -58    4    8 o   6.8060   0.4319   6.8320   0.7136   6.7810   0.4868 0.5087000E-01 0.8639000 
1 1 1  -58    4    9 o   4.9440   0.5462   5.6630   0.8151   4.2240   0.7272 1.439000 1.092000 
1 1 1  -58    4   10 o   16.160   0.4027   16.160   0.4027  ?   ?       ?      ? 
1 1 1  -58    4   11 o   10.010   0.2925   10.510   0.4754   9.5050   0.3409 1.005000 0.5850000 
1 1 1  -58    4   12 f   6.2880   0.4205   6.0650   0.6977   6.5110   0.4695 -0.4453000 0.8410000 
1 1 1  -58    4   13 o   4.2450   0.5112   4.7750   0.6177   3.7160   0.8147 1.059000 1.022000 
1 1 1  -58    4   14 o   2.5010   0.7133   2.3070   1.0020   2.6950   1.0150 -0.3878000 1.427000 
1 1 1  -58    4   15 o   5.1530   0.6294   4.0780   1.0840   6.2290   0.6398 -2.150000 1.259000 
1 1 1  -58    4   16 o   2.0650   0.5737   1.3950   0.6776   2.7350   0.9259 -1.340000 1.147000 
1 1 1  -58    4   17 o   8.1250   0.1794   8.1580   0.2299   8.0920   0.2754 0.6590000E-01 0.3587000 
1 1 1  -58    4   18 o   3.7920   0.4399   4.6800   0.4515   2.9040   0.7551 1.776000 0.8798000 
1 1 1  -58    4   19 o   6.4780   0.2664   6.2380   0.3783   6.7180   0.3750 -0.4795000 0.5327000 
1 1 1  -58    4   20 o   2.6700   0.5846   2.8420   0.8079   2.4970   0.8452 0.3451000 1.169000 
1 1 1  -58    4   21 o   6.5030   0.3728   6.6160   0.4603   6.3890   0.5866 0.2269000 0.7456000 
1 1 1  -58    4   22 o   5.0050   0.3938   5.4490   0.4754   4.5610   0.6278 0.8881000 0.7875000 
1 1 1  -58    4   23 o   10.310   0.2218   10.150   0.2943   10.470   0.3319 -0.3147000 0.4436000 
1 1 1  -58    4   24 o   7.2560   0.3082   7.5720   0.3901   6.9400   0.4773 0.6323000 0.6164000 
1 1 1  -58    4   25 o   5.2090   0.8543   5.2090   0.8543  ?   ?       ?      ? 
1 1 1  -58    6    1 o   5.5040   0.3837   5.4320   0.6175   5.5750   0.4558 -0.1429000 0.7675000 
1 1 1  -58    6    2 o   5.1750   0.3852   4.8890   0.6430   5.4610   0.4244 -0.5715000 0.7705000 
1 1 1  -58    6    3 o   4.2030   0.4255   4.3340   0.6597   4.0720   0.5375 0.2613000 0.8509000 
1 1 1  -58    6    4 f   5.9060   0.2833   5.6870   0.4091   6.1250   0.3920 -0.4386000 0.5666000 
1 1 1  -58    6    5 o   7.7240   0.4648   7.7390   0.7565   7.7090   0.5402 0.3038000E-01 0.9296000 
1 1 1  -58    6    6 o   5.6690   0.6299   5.0950   1.0770   6.2440   0.6537 -1.150000 1.260000 
1 1 1  -58    6    7 f   3.2950   0.7752   3.3850   1.1830   3.2050   1.0020 0.1799000 1.550000 
1 1 1  -58    6    8 o   5.4350   0.5657   5.4940   0.9108   5.3750   0.6711 0.1192000 1.131000 
1 1 1  -58    6    9 o   9.0260   0.3875   8.4860   0.6694   9.5660   0.3903 -1.080000 0.7749000 
1 1 1  -58    6   10 f   6.9120   0.4869   5.8880   0.8657   7.9360   0.4459 -2.048000 0.9737000 
1 1 1  -58    6   11 o   4.3750   0.6806   4.4790   1.0850   4.2700   0.8225 0.2092000 1.361000 
1 1 1  -58    6   12 o   2.4370   0.6431   1.8610   0.8358   3.0120   0.9776 -1.151000 1.286000 
1 1 1  -58    6   13 o   5.1440   0.4888   4.5040   0.7703   5.7850   0.6021 -1.281000 0.9777000 
1 1 1  -58    6   14 o   2.4590   0.6602   2.8140   0.9674   2.1040   0.8988 0.7101000 1.320000 
1 1 1  -58    6   15 o   4.2380   0.5922   4.1450   0.8307   4.3310   0.8442 -0.1859000 1.184000 
1 1 1  -58    6   16 o   3.8100   0.5149   3.3260   0.9498   4.2940   0.3980 -0.9682000 1.030000 
1 1 1  -58    6   17 o   8.4020   0.1803   8.5340   0.2219   8.2700   0.2842 0.2638000 0.3606000 
1 1 1  -58    6   18 o   5.3120   0.3042   5.3940   0.4077   5.2310   0.4517 0.1634000 0.6085000 
1 1 1  -58    6   19 o   2.1720   0.5316   2.8120   0.7979   1.5310   0.7027 1.281000 1.063000 
1 1 1  -58    6   20 o   4.8190   0.3963   5.0430   0.5030   4.5950   0.6125 0.4474000 0.7926000 
1 1 1  -58    6   21 o   7.6280   0.3462   7.9120   0.4023   7.3450   0.5635 0.5678000 0.6924000 
1 1 1  -58    6   22 o   6.4220   0.3277   6.8350   0.4150   6.0100   0.5073 0.8247000 0.6554000 
1 1 1  -58    6   23 o   11.090   0.2639   11.700   0.3361   10.490   0.4069 1.204000 0.5278000 
1 1 1  -58    6   24 o   6.7830   0.3848   7.0040   0.4578   6.5620   0.6187 0.4417000 0.7696000 
1 1 1  -58    8    1 o   2.4840   0.6448   2.4090   0.9559   2.5600   0.8657 -0.1505000 1.290000 
1 1 1  -58    8    2 o   5.2500   0.3926   6.0170   0.5566   4.4830   0.5538 1.534000 0.7852000 
1 1 1  -58    8    3 o   3.0500   0.5840   3.5010   0.8727   2.5980   0.7763 0.9027000 1.168000 
1 1 1  -58    8    4 o   5.2930   0.3395   5.0730   0.5661   5.5120   0.3751 -0.4392000 0.6790000 
1 1 1  -58    8    5 o   3.2690   0.4795   3.7930   0.5709   2.7460   0.7706 1.047000 0.9591000 
1 1 1  -58    8    6 o   3.6720   0.8430   3.7850   1.3100   3.5590   1.0620 0.2266000 1.686000 
1 1 1  -58    8    7 o   10.830   0.3802   10.370   0.6356   11.290   0.4175 -0.9162000 0.7605000 
1 1 1  -58    8    8 o   10.730   0.3682   10.910   0.5929   10.540   0.4369 0.3716000 0.7365000 
1 1 1  -58    8    9 o   7.6000   0.4778   7.6500   0.7782   7.5510   0.5548 0.9890000E-01 0.9557000 
1 1 1  -58    8   10 o   3.5940   0.8121   4.8360   1.2980   2.3520   0.9769 2.485000 1.624000 
1 1 1  -58    8   11 o   10.150   0.2992   10.590   0.4053   9.7110   0.4403 0.8740000 0.5984000 
1 1 1  -58    8   12 o   3.6020   0.6572   4.6410   0.8432   2.5640   1.0080 2.076000 1.314000 
1 1 1  -58    8   13 o   3.2560   0.6659   2.2680   0.9596   4.2430   0.9235 -1.975000 1.332000 
1 1 1  -58    8   14 o   5.7270   0.5031   6.3590   0.6231   5.0950   0.7901 1.264000 1.006000 
1 1 1  -58    8   15 o   5.5760   0.3873   5.4450   0.7098   5.7070   0.3101 -0.2615000 0.7746000 
1 1 1  -58    8   16 o   11.150   0.1533   11.330   0.1902   10.970   0.2405 0.3654000 0.3066000 
1 1 1  -58    8   17 o   13.510   0.1611   13.730   0.2525   13.280   0.2003 0.4478000 0.3223000 
1 1 1  -58    8   18 o   1.7400   0.5109   2.0630   0.7909   1.4170   0.6468 0.6468000 1.022000 
1 1 1  -58    8   19 o   5.8540   0.3278   5.6630   0.4545   6.0450   0.4724 -0.3816000 0.6556000 
1 1 1  -58    8   20 o   3.8110   0.6664   3.7260   0.8288   3.8950   1.0440 -0.1688000 1.333000 
1 1 1  -58    8   21 o   2.2730   0.6386   2.5580   0.9201   1.9880   0.8859 0.5696000 1.277000 
1 1 1  -58    8   22 o   3.0110   0.6369   2.8960   0.8885   3.1250   0.9126 -0.2296000 1.274000 
1 1 1  -58    8   23 o   8.0070   0.2891   7.9500   0.4006   8.0630   0.4169 -0.1138000 0.5782000 
1 1 1  -58   10    1 o   5.8260   0.5444   4.9600   0.9895   6.6920   0.4544 -1.732000 1.089000 
1 1 1  -58   10    2 o   3.2610   0.7165   4.0900   1.0550   2.4320   0.9696 1.657000 1.433000 
1 1 1  -58   10    3 o   7.7990   0.2457   7.8060   0.3622   7.7920   0.3319 0.1433000E-01 0.4913000 
1 1 1  -58   10    4 o   5.8960   0.2909   6.1140   0.4129   5.6780   0.4098 0.4366000 0.5817000 
1 1 1  -58   10    5 o   2.1020   0.5532   2.0770   0.7929   2.1260   0.7717 -0.4881000E-01 1.106000 
1 1 1  -58   10    6 o   9.9460   0.3750   10.180   0.7147   9.7120   0.2273 0.4690000 0.7500000 
1 1 1  -58   10    7 o   7.0630   0.2594   6.8810   0.3647   7.2460   0.3691 -0.3656000 0.5189000 
1 1 1  -58   10    8 o   7.1230   0.4964   7.0260   0.9494   7.2210   0.2902 -0.1943000 0.9927000 
1 1 1  -58   10    9 o   4.0590   0.6741   3.4990   1.2970   4.6190   0.3665 -1.120000 1.348000 
1 1 1  -58   10   10 o   3.1590   0.7256   3.6760   1.3420   2.6410   0.5513 1.035000 1.451000 
1 1 1  -58   10   11 f   3.2370   0.5746   2.9560   1.0710   3.5170   0.4176 -0.5608000 1.149000 
1 1 1  -58   10   12 o   9.6200   0.2588   9.9580   0.4623   9.2830   0.2327 0.6749000 0.5176000 
1 1 1  -58   10   13 o   4.5310   0.3187   3.9580   0.4950   5.1040   0.4017 -1.146000 0.6375000 
1 1 1  -58   10   14 o   1.9040   0.5180   1.7750   0.6850   2.0330   0.7774 -0.2576000 1.036000 
1 1 1  -58   10   15 o   4.5910   0.3693   4.2910   0.6268   4.8920   0.3908 -0.6012000 0.7386000 
1 1 1  -58   10   16 o   9.2640   0.1842   9.4720   0.2651   9.0560   0.2557 0.4158000 0.3683000 
1 1 1  -58   10   17 o   5.0390   0.3589   4.8430   0.5503   5.2350   0.4608 -0.3915000 0.7178000 
1 1 1  -58   10   18 o   7.8160   0.2579   8.0910   0.3605   7.5400   0.3690 0.5504000 0.5158000 
1 1 1  -58   10   19 o   5.3960   0.4475   4.6380   0.7214   6.1530   0.5298 -1.515000 0.8951000 
1 1 1  -58   10   20 o   2.5700   0.5550   1.8120   0.7882   3.3280   0.7816 -1.516000 1.110000 
1 1 1  -58   10   21 o   5.1940   0.4183   4.8280   0.6107   5.5610   0.5718 -0.7329000 0.8366000 
1 1 1  -58   10   22 o   5.0470   0.4401   4.8970   0.6085   5.1960   0.6360 -0.2991000 0.8802000 
1 1 1  -58   12    1 o   7.8300   0.2946   7.6240   0.4451   8.0360   0.3860 -0.4119000 0.5892000 
1 1 1  -58   12    2 o   2.9710   0.6273   3.3030   0.9005   2.6390   0.8737 0.6641000 1.255000 
1 1 1  -58   12    3 o   3.3060   0.6992   3.0580   1.0690   3.5530   0.9022 -0.4951000 1.398000 
1 1 1  -58   12    4 o   3.0370   0.7042   3.1160   1.0510   2.9580   0.9376 0.1583000 1.408000 
1 1 1  -58   12    5 o   6.5600   0.2925   6.5760   0.4263   6.5440   0.4006 0.3236000E-01 0.5849000 
1 1 1  -58   12    6 o   3.7920   0.5077   4.3050   0.6416   3.2780   0.7870 1.027000 1.015000 
1 1 1  -58   12    7 o   3.5110   0.6232   2.9530   1.0760   4.0690   0.6297 -1.116000 1.246000 
1 1 1  -58   12    8 o   7.6180   0.3208   7.6580   0.5447   7.5790   0.3392 0.7941000E-01 0.6417000 
1 1 1  -58   12    9 o   4.3790   0.5294   5.0950   0.7941   3.6620   0.7001 1.433000 1.059000 
1 1 1  -58   12   10 o   9.7710   0.2345   9.6070   0.3694   9.9340   0.2891 -0.3270000 0.4691000 
1 1 1  -58   12   11 o   1.5610   0.5125   1.6410   0.7676   1.4810   0.6793 0.1606000 1.025000 
1 1 1  -58   12   12 o   1.6630   0.5373   1.8680   0.8373   1.4590   0.6735 0.4089000 1.075000 
1 1 1  -58   12   13 o   6.0880   0.3290   6.0620   0.5226   6.1130   0.3996 -0.5161000E-01 0.6579000 
1 1 1  -58   12   14 o   5.8170   0.3399   6.1300   0.5355   5.5040   0.4189 0.6260000 0.6799000 
1 1 1  -58   12   15 o   4.5250   0.4336   5.0900   0.6278   3.9600   0.5981 1.130000 0.8671000 
1 1 1  -58   12   16 o   3.1660   0.5574   3.2210   0.8035   3.1100   0.7727 0.1108000 1.115000 
1 1 1  -58   12   17 o   6.3590   0.5140   7.4670   0.4593   5.2510   0.9197 2.216000 1.028000 
1 1 1  -58   12   18 o   3.3880   0.6487   3.7920   0.9059   2.9830   0.9287 0.8086000 1.297000 
1 1 1  -58   12   19 o   7.9670   0.2618   7.7050   0.3989   8.2280   0.3391 -0.5229000 0.5236000 
1 1 1  -58   12   20 o   2.8030   0.6247   3.0420   0.9030   2.5640   0.8635 0.4782000 1.249000 
1 1 1  -58   12   21 o   4.6370   1.4650   4.6370   1.4650  ?   ?       ?      ? 
1 1 1  -58   14    1 o   1.9240   0.6063   1.8170   0.8301   2.0320   0.8838 -0.2148000 1.213000 
1 1 1  -58   14    2 o   3.3360   0.6383   3.8170   0.8842   2.8550   0.9208 0.9616000 1.277000 
1 1 1  -58   14    3 f   2.5940   0.6550   2.4950   0.9440   2.6940   0.9084 -0.1990000 1.310000 
1 1 1  -58   14    4 o   2.4150   0.6441   2.6760   0.9586   2.1540   0.8606 0.5214000 1.288000 
1 1 1  -58   14    5 o   2.4850   0.6374   2.5910   0.9295   2.3790   0.8725 0.2114000 1.275000 
1 1 1  -58   14    6 o   2.4600   0.6147   1.8700   0.8762   3.0500   0.8622 -1.180000 1.229000 
1 1 1  -58   14    7 o   3.6000   0.6853   3.6550   1.0470   3.5440   0.8850 0.1108000 1.371000 
1 1 1  -58   14    8 o   3.4520   0.6764   3.1780   1.0580   3.7260   0.8431 -0.5479000 1.353000 
1 1 1  -58   14    9 o   4.1850   0.6108   3.2840   1.0490   5.0870   0.6267 -1.803000 1.222000 
1 1 1  -58   14   10 o   3.8520   0.6034   3.9450   0.8721   3.7590   0.8341 0.1862000 1.207000 
1 1 1  -58   14   11 o   5.5940   0.4283   5.2590   0.6744   5.9290   0.5283 -0.6693000 0.8567000 
1 1 1  -58   14   12 o   2.3310   0.6475   2.6480   0.9700   2.0140   0.8581 0.6335000 1.295000 
1 1 1  -58   14   13 f   1.9450   0.6070   2.2190   0.9350   1.6720   0.7744 0.5473000 1.214000 
1 1 1  -58   14   14 o   3.4380   0.6112   2.5220   0.9715   4.3530   0.7419 -1.831000 1.222000 
1 1 1  -58   14   15 o   5.5750   0.3995   5.6420   0.6314   5.5080   0.4897 0.1340000 0.7991000 
1 1 1  -58   14   16 o   1.8700   0.5863   2.1630   0.9222   1.5770   0.7242 0.5862000 1.173000 
1 1 1  -58   14   17 o   1.9500   0.5969   2.0280   0.8886   1.8710   0.7971 0.1572000 1.194000 
1 1 1  -58   14   18 o   2.8900   0.7009   2.9080   1.0700   2.8710   0.9054 0.3706000E-01 1.402000 
1 1 1  -58   14   19 o   4.3780   1.4590   4.3780   1.4590  ?   ?       ?      ? 
1 1 1  -58   16    1 o   2.6630   0.5968   1.6640   0.7944   3.6620   0.8907 -1.998000 1.194000 
1 1 1  -58   16    2 o   3.3240   0.6689   3.0290   1.0080   3.6180   0.8790 -0.5888000 1.338000 
1 1 1  -58   16    3 o   5.1850   0.4837   5.3060   0.6988   5.0640   0.6691 0.2417000 0.9675000 
1 1 1  -58   16    4 o   4.4520   0.5749   4.2550   0.8938   4.6490   0.7234 -0.3947000 1.150000 
1 1 1  -58   16    5 o   3.7860   0.6199   4.0650   0.8814   3.5070   0.8718 0.5583000 1.240000 
1 1 1  -58   16    6 o   2.1760   0.6439   2.2650   0.9418   2.0870   0.8783 0.1774000 1.288000 
1 1 1  -58   16    7 o   4.8630   0.5794   5.2250   0.9078   4.5010   0.7202 0.7245000 1.159000 
1 1 1  -58   16    8 o   7.5980   0.3947   6.9630   0.6785   8.2330   0.4036 -1.270000 0.7895000 
1 1 1  -58   16    9 o   2.1530   0.6543   2.2210   0.9817   2.0850   0.8654 0.1365000 1.309000 
1 1 1  -58   16   10 o   3.1410   0.7068   3.6410   1.0720   2.6410   0.9211 0.9993000 1.414000 
1 1 1  -58   16   11 o   8.2040   0.3452   8.7000   0.5460   7.7080   0.4226 0.9916000 0.6904000 
1 1 1  -58   16   12 o   1.7340   0.5649   1.4630   0.7351   2.0060   0.8580 -0.5432000 1.130000 
1 1 1  -58   16   13 o   4.4100   0.5954   5.4620   0.7562   3.3580   0.9199 2.104000 1.191000 
1 1 1  -58   16   14 o   5.7960   0.4125   6.1610   0.6191   5.4320   0.5452 0.7294000 0.8249000 
1 1 1  -58   16   15 o   3.6700   0.5793   2.4970   0.9902   4.8430   0.6016 -2.346000 1.159000 
1 1 1  -58   16   16 o   3.1300   0.6791   3.2720   1.0180   2.9880   0.8990 0.2840000 1.358000 
1 1 1  -58   18    1 o   2.6160   0.7433   2.1470   0.9844   3.0840   1.1140 -0.9371000 1.487000 
1 1 1  -58   18    2 o   4.3010   0.6191   3.3440   1.0400   5.2590   0.6722 -1.915000 1.238000 
1 1 1  -58   18    3 o   2.1770   0.6463   1.9920   0.8987   2.3630   0.9291 -0.3709000 1.293000 
1 1 1  -58   18    4 o   1.4100   0.4881   1.2590   0.6340   1.5610   0.7424 -0.3025000 0.9763000 
1 1 1  -58   18    5 o   2.0710   0.6283   1.9740   0.8856   2.1670   0.8915 -0.1929000 1.257000 
1 1 1  -58   18    6 o   2.0510   0.6287   2.2370   0.9456   1.8640   0.8287 0.3726000 1.257000 
1 1 1  -58   18    7 o   2.6510   0.7124   3.4550   1.1630   1.8470   0.8229 1.608000 1.425000 
1 1 1  -58   18    8 o   4.6850   0.6334   4.8860   1.0380   4.4830   0.7267 0.4033000 1.267000 
1 1 1  -58   18    9 o   7.5320   0.3531   7.3640   0.5615   7.7000   0.4283 -0.3358000 0.7062000 
1 1 1  -58   18   10 o   6.4650   0.3972   6.4650   0.6183   6.4650   0.4987 -0.2484000E-03 0.7943000 
1 1 1  -58   18   11 o   4.6950   0.5813   4.1170   0.9877   5.2720   0.6132 -1.156000 1.163000 
1 1 1  -57    1    1 o   3.2770   0.6185   3.8350   0.7893   2.7190   0.9525 1.116000 1.237000 
1 1 1  -57    1    2 o   3.6850   0.4410   4.0280   0.6170   3.3430   0.6302 0.6853000 0.8819000 
1 1 1  -57    1    3 o   4.2900   0.3181   3.8210   0.4945   4.7580   0.4002 -0.9375000 0.6362000 
1 1 1  -57    1    4 o   5.9120   0.2333   5.8090   0.3296   6.0140   0.3302 -0.2049000 0.4666000 
1 1 1  -57    1    5 o   6.0920   0.1875   6.3360   0.2156   5.8480   0.3068 0.4878000 0.3750000 
1 1 1  -57    1    6 o   15.050   0.3127  ?   ?    15.050   0.3127      ?      ? 
1 1 1  -57    1    8 o   2.5360   0.5143   2.3490   0.8499   2.7230   0.5793 -0.3737000 1.029000 
1 1 1  -57    1    9 o   8.7420   0.2099   9.0140   0.3033   8.4690   0.2902 0.5455000 0.4198000 
1 1 1  -57    1   10 o   10.480   0.1938   10.470   0.2865   10.480   0.2609 -0.9543000E-02 0.3875000 
1 1 1  -57    1   11 o   14.610   0.2067   14.570   0.2841   14.640   0.3002 -0.7248000E-01 0.4133000 
1 1 1  -57    1   12 o   9.9530   0.1910   9.9110   0.3157   9.9950   0.2152 -0.8466000E-01 0.3820000 
1 1 1  -57    1   13 o   10.420   0.3678  ?   ?    10.420   0.3678      ?      ? 
1 1 1  -57    1   14 o   8.4520   0.2706   8.3610   0.2779   8.5430   0.4645 -0.1816000 0.5412000 
1 1 1  -57    1   15 o   13.240   0.1560   13.090   0.1817   13.400   0.2537 -0.3042000 0.3120000 
1 1 1  -57    1   16 o   8.8850   0.1749   8.9990   0.2480   8.7700   0.2468 0.2294000 0.3498000 
1 1 1  -57    1   17 o   9.6960   0.1667   9.5290   0.2227   9.8630   0.2482 -0.3333000 0.3335000 
1 1 1  -57    1   18 o   10.910   0.1937   10.860   0.2593   10.960   0.2878 -0.1021000 0.3874000 
1 1 1  -57    1   19 o   8.2720   0.3115   8.5660   0.2736   7.9780   0.5597 0.5876000 0.6230000 
1 1 1  -57    1   20 o   4.3780   0.5398   5.2880   0.4898   3.4680   0.9620 1.821000 1.080000 
1 1 1  -57    1   21 o   15.180   0.1663   15.350   0.2178   15.020   0.2514 0.3284000 0.3326000 
1 1 1  -57    1   22 o   4.8480   0.4001   5.1730   0.4984   4.5220   0.6262 0.6506000 0.8003000 
1 1 1  -57    1   23 f   2.4470   0.6002   1.8650   0.8169   3.0290   0.8797 -1.164000 1.200000 
1 1 1  -57    1   24 o   11.200   0.2086   10.880   0.2884   11.520   0.3015 -0.6469000 0.4172000 
1 1 1  -57    1   25 o   5.7270   0.3725   5.5580   0.5113   5.8970   0.5419 -0.3387000 0.7450000 
1 1 1  -57    3    1 o   3.0380   0.5854   4.0300   0.8115   2.0460   0.8440 1.984000 1.171000 
1 1 1  -57    3    2 o   2.1080   0.5611   1.8770   0.8110   2.3380   0.7758 -0.4610000 1.122000 
1 1 1  -57    3    3 o   10.670   0.1875   10.940   0.2864   10.400   0.2422 0.5418000 0.3750000 
1 1 1  -57    3    4 o   3.3910   0.4051   3.8990   0.3816   2.8830   0.7148 1.016000 0.8103000 
1 1 1  -57    3    5 o   14.480   0.2573   14.400   0.4284   14.560   0.2853 -0.1654000 0.5147000 
1 1 1  -57    3    6 o   2.6270   0.7014   2.9140   1.0900   2.3400   0.8827 0.5737000 1.403000 
1 1 1  -57    3    7 o   9.8570   0.2860   9.6330   0.4778   10.080   0.3143 -0.4480000 0.5719000 
1 1 1  -57    3    8 o   3.1150   0.6571   2.7790   1.0630   3.4510   0.7720 -0.6715000 1.314000 
1 1 1  -57    3    9 o   10.130   0.2691   10.230   0.4418   10.030   0.3072 0.1939000 0.5381000 
1 1 1  -57    3   10 o   18.370   0.2285   18.510   0.3769   18.230   0.2585 0.2856000 0.4571000 
1 1 1  -57    3   11 o   7.1040   0.3279   7.7270   0.5074   6.4810   0.4155 1.246000 0.6558000 
1 1 1  -57    3   12 o   3.3050   0.6318   3.1960   1.0150   3.4140   0.7528 -0.2177000 1.264000 
1 1 1  -57    3   13 o   10.180   0.2101   10.080   0.2977   10.270   0.2966 -0.1835000 0.4202000 
1 1 1  -57    3   14 o   5.1810   0.3899   5.5230   0.5166   4.8380   0.5843 0.6848000 0.7799000 
1 1 1  -57    3   15 o   6.2560   0.3300   6.2690   0.4700   6.2430   0.4635 0.2554000E-01 0.6601000 
1 1 1  -57    3   16 o   17.320   0.2118   17.600   0.1960   17.040   0.3754 0.5543000 0.4235000 
1 1 1  -57    3   17 o   4.6020   0.3561   4.4060   0.5250   4.7970   0.4812 -0.3906000 0.7122000 
1 1 1  -57    3   18 f   4.9200   0.3222   4.8490   0.4532   4.9920   0.4582 -0.1433000 0.6445000 
1 1 1  -57    3   19 o   10.410   0.1819   10.310   0.2449   10.510   0.2691 -0.2035000 0.3639000 
1 1 1  -57    3   20 o   10.920   0.2361   10.890   0.2887   10.940   0.3736 -0.4421000E-01 0.4722000 
1 1 1  -57    3   21 o   1.9390   0.5642   1.7600   0.7588   2.1180   0.8351 -0.3580000 1.128000 
1 1 1  -57    3   22 o   8.0000   0.2564   8.2750   0.3363   7.7250   0.3872 0.5501000 0.5129000 
1 1 1  -57    3   23 o   2.0280   0.5703   2.4610   0.8671   1.5950   0.7410 0.8663000 1.141000 
1 1 1  -57    3   24 o   1.5170   0.5046   1.2400   0.6115   1.7940   0.8030 -0.5542000 1.009000 
1 1 1  -57    3   25 o   3.8180   0.6234   4.7320   0.6904   2.9040   1.0380 1.827000 1.247000 
1 1 1  -57    5    1 f   5.5000   0.3679   5.7550   0.5659   5.2450   0.4704 0.5098000 0.7358000 
1 1 1  -57    5    2 f   6.3390   0.3029   6.1780   0.4874   6.4990   0.3596 -0.3213000 0.6057000 
1 1 1  -57    5    3 o   3.9640   0.4745   3.7530   0.6944   4.1740   0.6470 -0.4206000 0.9491000 
1 1 1  -57    5    4 o   3.8270   0.3981   4.1820   0.4655   3.4710   0.6459 0.7107000 0.7962000 
1 1 1  -57    5    5 o   6.4100   0.5106   6.4340   0.8425   6.3850   0.5773 0.4827000E-01 1.021000 
1 1 1  -57    5    6 o   5.1570   0.6885   4.4840   1.1200   5.8290   0.8015 -1.346000 1.377000 
1 1 1  -57    5    7 f   3.8540   0.7332   4.7950   0.9702   2.9120   1.1000 1.884000 1.466000 
1 1 1  -57    5    8 o   8.2250   0.4139   8.1490   0.5996   8.3010   0.5709 -0.1522000 0.8279000 
1 1 1  -57    5    9 o   4.5900   0.7155   4.8860   1.0360   4.2940   0.9872 0.5924000 1.431000 
1 1 1  -57    5   10 o   8.1530   0.4123   8.1290   0.6190   8.1760   0.5447 -0.4722000E-01 0.8246000 
1 1 1  -57    5   11 o   2.8010   0.7611   3.1010   1.1290   2.5020   1.0210 0.5988000 1.522000 
1 1 1  -57    5   12 o   4.4290   0.7077   4.0840   1.1020   4.7750   0.8886 -0.6914000 1.415000 
1 1 1  -57    5   13 o   8.8230   0.3705   8.8560   0.5460   8.7890   0.5011 0.6702000E-01 0.7411000 
1 1 1  -57    5   14 o   6.7680   0.3592   7.4150   0.4567   6.1210   0.5546 1.294000 0.7185000 
1 1 1  -57    5   15 o   11.600   0.2376   11.880   0.3295   11.320   0.3423 0.5578000 0.4752000 
1 1 1  -57    5   16 o   5.8790   0.3262   5.9810   0.5675   5.7770   0.3218 0.2042000 0.6523000 
1 1 1  -57    5   17 o   5.7850   0.2750   5.8230   0.4064   5.7480   0.3707 0.7455000E-01 0.5501000 
1 1 1  -57    5   18 o   2.6750   0.5189   3.2010   0.6747   2.1490   0.7885 1.052000 1.038000 
1 1 1  -57    5   19 o   4.7410   0.3617   4.8320   0.4844   4.6500   0.5373 0.1818000 0.7234000 
1 1 1  -57    5   20 o   2.0310   0.5917   2.1780   0.8147   1.8850   0.8583 0.2933000 1.183000 
1 1 1  -57    5   21 o   6.7580   0.3163   7.1050   0.4450   6.4110   0.4497 0.6948000 0.6327000 
1 1 1  -57    5   22 o   7.8050   0.2711   7.6440   0.3765   7.9650   0.3902 -0.3210000 0.5422000 
1 1 1  -57    5   23 o   10.400   0.2308   10.300   0.3050   10.510   0.3465 -0.2133000 0.4616000 
1 1 1  -57    5   24 o   7.0320   0.3909   6.4170   0.5464   7.6480   0.5591 -1.231000 0.7818000 
1 1 1  -57    5   25 o   2.6200   0.5926   1.6390   0.7572   3.6010   0.9118 -1.962000 1.185000 
1 1 1  -57    7    1 o   2.9210   0.6282   2.7890   0.9689   3.0530   0.7998 -0.2647000 1.256000 
1 1 1  -57    7    2 o   6.3130   0.3216   6.2700   0.5149   6.3570   0.3854 -0.8731000E-01 0.6432000 
1 1 1  -57    7    3 o   5.6220   0.3397   5.1770   0.5754   6.0670   0.3613 -0.8902000 0.6794000 
1 1 1  -57    7    4 o   3.7230   0.5022   4.7450   0.5493   2.7010   0.8408 2.044000 1.004000 
1 1 1  -57    7    5 f   2.2220   0.6903   3.0250   1.2220   1.4190   0.6424 1.606000 1.381000 
1 1 1  -57    7    6 o   5.4460   0.6916   4.3510   1.2300   6.5420   0.6323 -2.191000 1.383000 
1 1 1  -57    7    7 o   15.190   0.2941   15.400   0.4808   14.980   0.3390 0.4211000 0.5883000 
1 1 1  -57    7    8 o   2.8110   0.7624   3.4590   1.2040   2.1630   0.9354 1.296000 1.525000 
1 1 1  -57    7    9 o   2.7780   0.6870   1.9790   0.9506   3.5770   0.9920 -1.598000 1.374000 
1 1 1  -57    7   10 o   2.6540   0.7742   3.1340   1.2400   2.1750   0.9268 0.9591000 1.548000 
1 1 1  -57    7   11 o   11.520   0.2573   11.580   0.3590   11.460   0.3689 0.1203000 0.5147000 
1 1 1  -57    7   12 o   2.8740   0.6831   2.3010   0.9445   3.4460   0.9871 -1.145000 1.366000 
1 1 1  -57    7   13 o   3.3960   0.6971   3.1640   0.9985   3.6290   0.9732 -0.4652000 1.394000 
1 1 1  -57    7   14 o   8.0060   0.3425   7.9150   0.4929   8.0970   0.4756 -0.1816000 0.6849000 
1 1 1  -57    7   15 o   3.8390   0.6637   4.1490   0.9052   3.5290   0.9708 0.6198000 1.327000 
1 1 1  -57    7   16 o   8.8070   0.1656   8.8760   0.2104   8.7390   0.2559 0.1375000 0.3313000 
1 1 1  -57    7   17 o   11.930   0.1652   11.910   0.2594   11.960   0.2048 -0.4799000E-01 0.3305000 
1 1 1  -57    7   18 o   11.110   0.1803   11.320   0.2397   10.910   0.2695 0.4076000 0.3607000 
1 1 1  -57    7   19 f   7.3800   0.2576   7.3130   0.3508   7.4480   0.3772 -0.1350000 0.5151000 
1 1 1  -57    7   20 o   2.0790   0.6352   1.9640   0.8405   2.1940   0.9527 -0.2301000 1.270000 
1 1 1  -57    7   21 o   2.5570   0.6097   2.1140   0.8353   3.0010   0.8884 -0.8869000 1.219000 
1 1 1  -57    7   22 o   3.8100   0.6309   4.1640   0.7900   3.4550   0.9838 0.7094000 1.262000 
1 1 1  -57    7   23 o   1.9080   0.5540   2.5020   0.8986   1.3150   0.6482 1.188000 1.108000 
1 1 1  -57    7   24 o   7.3620   0.3595   7.2800   0.4459   7.4450   0.5639 -0.1652000 0.7189000 
1 1 1  -57    9    1 o   7.5400   0.3376   7.5120   0.5262   7.5670   0.4232 -0.5466000E-01 0.6753000 
1 1 1  -57    9    2 o   6.0940   0.3089   6.3390   0.4374   5.8480   0.4364 0.4912000 0.6178000 
1 1 1  -57    9    3 o   3.9650   0.4400   3.9430   0.6557   3.9880   0.5870 -0.4524000E-01 0.8801000 
1 1 1  -57    9    4 o   5.8070   0.2756   5.7500   0.4051   5.8640   0.3738 -0.1135000 0.5512000 
1 1 1  -57    9    5 o   9.9780   0.3160  ?   ?    9.9780   0.3160      ?      ? 
1 1 1  -57    9    6 o   4.8100   0.6396   5.3960   1.1680   4.2240   0.5212 1.172000 1.279000 
1 1 1  -57    9    7 o   7.5280   0.4352   7.6570   0.8308   7.3980   0.2596 0.2593000 0.8704000 
1 1 1  -57    9    8 o   7.7650   0.5066   7.4270   0.8565   8.1030   0.5414 -0.6763000 1.013000 
1 1 1  -57    9    9 o   10.040   0.3966   9.7670   0.6565   10.320   0.4450 -0.5560000 0.7931000 
1 1 1  -57    9   10 o   4.0120   0.7984   3.3170   1.3220   4.7080   0.8959 -1.392000 1.597000 
1 1 1  -57    9   11 f   6.6210   0.4439   6.3960   0.6452   6.8470   0.6099 -0.4511000 0.8879000 
1 1 1  -57    9   12 o   11.610   0.2852   11.780   0.3943   11.440   0.4121 0.3395000 0.5704000 
1 1 1  -57    9   13 o   8.7510   0.3505   8.8500   0.4866   8.6520   0.5045 0.1983000 0.7009000 
1 1 1  -57    9   14 o   8.4140   0.1852   8.4440   0.2592   8.3840   0.2647 0.6010000E-01 0.3705000 
1 1 1  -57    9   15 o   6.6020   0.2253   6.6440   0.2826   6.5590   0.3510 0.8444000E-01 0.4507000 
1 1 1  -57    9   16 o   6.1770   0.2465   5.8860   0.3828   6.4680   0.3107 -0.5815000 0.4930000 
1 1 1  -57    9   17 o   4.2450   0.4041   3.5600   0.6832   4.9300   0.4319 -1.371000 0.8083000 
1 1 1  -57    9   18 o   3.0710   0.5334   2.7140   0.8290   3.4270   0.6715 -0.7127000 1.067000 
1 1 1  -57    9   19 o   5.9700   0.6428   6.2510   0.4682   5.6880   1.1970 0.5623000 1.286000 
1 1 1  -57    9   20 o   3.7700   0.6423   4.6630   0.8177   2.8780   0.9908 1.785000 1.285000 
1 1 1  -57    9   21 o   4.1290   0.5202   3.7530   0.7699   4.5060   0.6997 -0.7539000 1.040000 
1 1 1  -57    9   22 o   2.7380   0.6546   2.7070   0.9071   2.7680   0.9441 -0.6100000E-01 1.309000 
1 1 1  -57    9   23 o   1.8110   0.5608   1.3340   0.6523   2.2880   0.9123 -0.9540000 1.122000 
1 1 1  -57   11    1 o   8.8010   0.2554   8.7530   0.3742   8.8490   0.3477 -0.9591000E-01 0.5108000 
1 1 1  -57   11    2 o   2.8070   0.7168   3.0830   1.0510   2.5320   0.9753 0.5516000 1.434000 
1 1 1  -57   11    3 o   3.2300   0.7340   3.4470   1.1010   3.0130   0.9714 0.4344000 1.468000 
1 1 1  -57   11    4 o   5.4700   0.3680   6.0210   0.4994   4.9190   0.5407 1.102000 0.7361000 
1 1 1  -57   11    5 o   5.6170   0.3228   5.7430   0.4868   5.4910   0.4242 0.2524000 0.6457000 
1 1 1  -57   11    6 f   7.1650   0.2990   6.9650   0.5097   7.3640   0.3129 -0.3995000 0.5981000 
1 1 1  -57   11    7 o   7.5730   0.2631   8.0200   0.4237   7.1260   0.3121 0.8941000 0.5262000 
1 1 1  -57   11    8 o   4.1750   0.6962   3.3280   1.3330   5.0210   0.4016 -1.692000 1.392000 
1 1 1  -57   11    9 o   7.4570   0.4972   7.6860   0.9081   7.2270   0.4055 0.4591000 0.9945000 
1 1 1  -57   11   10 o   3.2570   0.6471   2.7210   1.0720   3.7940   0.7255 -1.073000 1.294000 
1 1 1  -57   11   11 o   1.7010   0.5627   1.7660   0.8484   1.6360   0.7394 0.1302000 1.125000 
1 1 1  -57   11   12 o   4.0600   0.5907   3.4850   1.1080   4.6350   0.4095 -1.149000 1.181000 
1 1 1  -57   11   13 o   2.8320   0.5733   2.1820   0.9817   3.4820   0.5925 -1.300000 1.147000 
1 1 1  -57   11   14 o   3.1210   0.5243   2.6140   0.8305   3.6280   0.6401 -1.014000 1.049000 
1 1 1  -57   11   15 o   4.9110   0.3937   4.1270   0.6626   5.6950   0.4255 -1.568000 0.7875000 
1 1 1  -57   11   16 o   7.1520   0.3241   7.5960   0.3715   6.7090   0.5312 0.8869000 0.6482000 
1 1 1  -57   11   17 o   7.7540   0.2420   7.9590   0.3498   7.5480   0.3346 0.4111000 0.4841000 
1 1 1  -57   11   18 o   1.8590   0.5615   2.4830   0.9397   1.2340   0.6147 1.249000 1.123000 
1 1 1  -57   11   19 o   5.2650   0.3702   5.3360   0.5353   5.1950   0.5115 0.1406000 0.7404000 
1 1 1  -57   11   20 o   7.7110   0.2682   7.8280   0.3876   7.5940   0.3709 0.2336000 0.5365000 
1 1 1  -57   11   21 o   2.2740   0.6373   2.1430   0.8757   2.4060   0.9261 -0.2626000 1.275000 
1 1 1  -57   11   22 o   2.2390   0.6296   2.5060   0.9187   1.9730   0.8612 0.5330000 1.259000 
1 1 1  -57   13    1 o   7.0960   0.3278   7.0830   0.4894   7.1090   0.4363 -0.2624000E-01 0.6557000 
1 1 1  -57   13    2 o   4.2890   0.5254   4.0350   0.8128   4.5430   0.6661 -0.5083000 1.051000 
1 1 1  -57   13    3 o   3.1200   0.6052   2.6120   0.9273   3.6280   0.7779 -1.016000 1.210000 
1 1 1  -57   13    4 o   2.3770   0.6257   2.4620   0.9155   2.2920   0.8531 0.1700000 1.251000 
1 1 1  -57   13    5 o   3.8170   0.6599   3.6540   1.0610   3.9800   0.7851 -0.3258000 1.320000 
1 1 1  -57   13    6 o   3.0440   0.6091   2.1430   0.9330   3.9450   0.7832 -1.802000 1.218000 
1 1 1  -57   13    7 o   2.5240   0.6352   2.2520   0.9609   2.7960   0.8311 -0.5437000 1.270000 
1 1 1  -57   13    8 o   2.2170   0.6146   2.9960   1.0290   1.4390   0.6728 1.557000 1.229000 
1 1 1  -57   13    9 o   10.010   0.2546   9.7490   0.4287   10.260   0.2749 -0.5129000 0.5092000 
1 1 1  -57   13   10 o   6.5880   0.3277   6.1680   0.5349   7.0090   0.3787 -0.8416000 0.6554000 
1 1 1  -57   13   11 o   8.7050   0.2577   8.6010   0.4067   8.8100   0.3166 -0.2098000 0.5154000 
1 1 1  -57   13   12 o   4.6930   0.4402   4.7300   0.6962   4.6560   0.5389 0.7372000E-01 0.8804000 
1 1 1  -57   13   13 o   8.0160   0.2730   7.9380   0.4407   8.0950   0.3221 -0.1569000 0.5459000 
1 1 1  -57   13   14 o   3.5870   0.5747   3.7410   0.8846   3.4330   0.7338 0.3075000 1.149000 
1 1 1  -57   13   15 f   3.3230   0.6346   3.0260   0.9560   3.6210   0.8349 -0.5950000 1.269000 
1 1 1  -57   13   16 o   11.060   0.2412   11.160   0.3462   10.960   0.3360 0.1974000 0.4824000 
1 1 1  -57   13   17 o   7.6100   0.3007   7.9030   0.4580   7.3180   0.3899 0.5855000 0.6015000 
1 1 1  -57   13   18 o   2.8470   0.6531   2.7080   1.0010   2.9860   0.8393 -0.2786000 1.306000 
1 1 1  -57   13   19 o   2.8730   0.6232   3.2870   0.8884   2.4580   0.8740 0.8297000 1.246000 
1 1 1  -57   13   20 o   2.7570   0.6441   2.2990   0.9358   3.2150   0.8852 -0.9160000 1.288000 
1 1 1  -57   15    1 o   1.6810   0.5581   1.9560   0.8772   1.4060   0.6902 0.5496000 1.116000 
1 1 1  -57   15    2 o   3.0870   0.6646   3.7240   0.9321   2.4500   0.9477 1.274000 1.329000 
1 1 1  -57   15    3 o   2.3460   0.6472   1.9530   0.8615   2.7390   0.9661 -0.7863000 1.294000 
1 1 1  -57   15    4 o   2.8550   0.6416   2.1980   0.9143   3.5130   0.9002 -1.315000 1.283000 
1 1 1  -57   15    5 o   7.0660   0.3204   7.5210   0.4555   6.6110   0.4508 0.9098000 0.6408000 
1 1 1  -57   15    6 o   3.9880   0.5712   3.5370   0.9343   4.4380   0.6573 -0.9019000 1.142000 
1 1 1  -57   15    7 o   4.8960   0.5932   4.0690   1.0750   5.7240   0.5009 -1.655000 1.186000 
1 1 1  -57   15    8 o   3.5430   0.6649   4.2390   0.9929   2.8460   0.8846 1.392000 1.330000 
1 1 1  -57   15    9 o   3.7480   0.5892   4.6820   0.7795   2.8140   0.8838 1.868000 1.178000 
1 1 1  -57   15   10 o   5.9650   0.3880   5.7880   0.6259   6.1420   0.4589 -0.3536000 0.7761000 
1 1 1  -57   15   11 f   2.5620   0.6557   2.5480   0.9782   2.5770   0.8736 -0.2896000E-01 1.311000 
1 1 1  -57   15   12 o   1.9820   0.5954   2.6660   1.0070   1.2980   0.6349 1.368000 1.191000 
1 1 1  -57   15   13 o   2.6700   0.6648   2.5850   0.9939   2.7560   0.8834 -0.1707000 1.330000 
1 1 1  -57   15   14 o   7.1130   0.3848   6.9180   0.6416   7.3070   0.4249 -0.3887000 0.7695000 
1 1 1  -57   15   15 o   5.0910   0.5448   4.6710   0.9432   5.5110   0.5457 -0.8400000 1.090000 
1 1 1  -57   15   16 o   9.2490   0.3123   9.2030   0.5103   9.2950   0.3603 -0.9205000E-01 0.6247000 
1 1 1  -57   15   17 o   4.2170   0.6382   4.1740   1.0450   4.2600   0.7334 -0.8649000E-01 1.276000 
1 1 1  -57   15   18 o   1.9620   0.6006   2.3800   0.9602   1.5440   0.7217 0.8362000 1.201000 
1 1 1  -57   17    1 o   1.8990   0.6062   1.8590   0.8596   1.9390   0.8550 -0.8092000E-01 1.212000 
1 1 1  -57   17    2 o   2.9670   0.7097   3.4800   1.0620   2.4530   0.9414 1.027000 1.419000 
1 1 1  -57   17    3 o   2.9740   0.6952   3.1740   1.0140   2.7730   0.9510 0.4004000 1.390000 
1 1 1  -57   17    4 o   3.9020   0.6322   3.5630   0.9928   4.2400   0.7829 -0.6768000 1.264000 
1 1 1  -57   17    5 o   3.0030   0.6613   2.4620   0.9800   3.5430   0.8883 -1.081000 1.323000 
1 1 1  -57   17    6 o   3.1750   0.6798   2.9640   1.0230   3.3860   0.8953 -0.4212000 1.360000 
1 1 1  -57   17    7 f   2.6890   0.7274   2.9350   1.1300   2.4440   0.9155 0.4914000 1.455000 
1 1 1  -57   17    8 o   2.2570   0.6830   2.5010   1.0660   2.0120   0.8547 0.4892000 1.366000 
1 1 1  -57   17    9 o   4.2300   0.6070   3.5350   1.0360   4.9250   0.6333 -1.391000 1.214000 
1 1 1  -57   17   10 o   1.7370   0.5727   1.9030   0.8754   1.5710   0.7385 0.3322000 1.145000 
1 1 1  -57   17   11 o   5.0570   0.5284   4.7540   0.8869   5.3610   0.5745 -0.6071000 1.057000 
1 1 1  -57   17   12 o   4.1320   0.6301   4.2110   0.9942   4.0540   0.7744 0.1568000 1.260000 
1 1 1  -57   17   13 o   2.5010   0.6837   2.8130   1.0360   2.1890   0.8929 0.6243000 1.367000 
1 1 1  -57   17   14 o   2.4040   0.6348   1.9190   0.8767   2.8890   0.9184 -0.9706000 1.270000 
1 1 1  -57   17   15 o   2.2830   0.6375   1.9260   0.8785   2.6390   0.9239 -0.7129000 1.275000 
1 1 1  -57   19    1 o   2.0380   0.6371   2.4130   1.0000   1.6630   0.7895 0.7502000 1.274000 
1 1 1  -57   19    2 o   2.0660   0.6733   2.2570   1.0170   1.8750   0.8826 0.3817000 1.347000 
1 1 1  -57   19    3 o   2.5090   0.7294   3.2090   1.1780   1.8090   0.8604 1.400000 1.459000 
1 1 1  -57   19    4 o   2.1000   0.6427   2.1430   0.9352   2.0570   0.8818 0.8563000E-01 1.285000 
1 1 1  -57   19    5 o   4.0010   0.6400   4.0500   0.9557   3.9520   0.8516 0.9726000E-01 1.280000 
1 1 1  -57   19    6 o   2.9660   0.6251   2.0440   0.9145   3.8870   0.8526 -1.843000 1.250000 
1 1 1  -57   19    7 o   1.8850   0.5891   1.5920   0.7660   2.1780   0.8952 -0.5859000 1.178000 
1 1 1  -57   19    8 o   1.7510   0.5806   1.6870   0.8245   1.8140   0.8176 -0.1269000 1.161000 
1 1 1  -57   19    9 o   4.8890   0.5480   4.8820   0.8731   4.8970   0.6626 -0.1539000E-01 1.096000 
1 1 1  -57   19   10 o   7.1370   0.4020   6.7300   0.6469   7.5450   0.4775 -0.8150000 0.8040000 
1 1 1  -56    0    1 o   11.070   0.3287   11.070   0.3287   11.070   0.3287 -0.000000 0.000000 
1 1 1  -56    0    2 o   7.2340   0.3481   7.2340   0.3481   7.2340   0.3481 -0.000000 0.000000 
1 1 1  -56    0    3 o   4.7020   0.4055   4.7020   0.4055   4.7020   0.4055 -0.000000 0.000000 
1 1 1  -56    0    4 o   4.4670   0.3855   4.4670   0.3855   4.4670   0.3855 -0.000000 0.000000 
1 1 1  -56    0    5 f   1.2650   0.7686   1.2650   0.7686   1.2650   0.7686 -0.000000 0.000000 
1 1 1  -56    0    6 o   0.8094   0.5453   0.8094   0.5453   0.8094   0.5453 -0.000000 0.000000 
1 1 1  -56    0    7 o   3.5310   0.5774   3.5310   0.5774   3.5310   0.5774 -0.000000 0.000000 
1 1 1  -56    0   13 o   4.5530   0.5577   4.5530   0.5577   4.5530   0.5577 -0.000000 0.000000 
1 1 1  -56    0   14 o   5.4500   0.2942   5.4500   0.2942   5.4500   0.2942 -0.000000 0.000000 
1 1 1  -56    0   15 o   15.280   0.2418   15.280   0.2418   15.280   0.2418 -0.000000 0.000000 
1 1 1  -56    0   16 o   15.980   0.1773   15.980   0.1773   15.980   0.1773 -0.000000 0.000000 
1 1 1  -56    0   17 o   1.2410   0.7613   1.2410   0.7613   1.2410   0.7613 -0.000000 0.000000 
1 1 1  -56    0   18 o   4.9750   0.4147   4.9750   0.4147   4.9750   0.4147 -0.000000 0.000000 
1 1 1  -56    0   19 o   13.560   0.2979   13.560   0.2979   13.560   0.2979 -0.000000 0.000000 
1 1 1  -56    0   20 o   10.010   0.2935   10.010   0.2935   10.010   0.2935 -0.000000 0.000000 
1 1 1  -56    0   21 o   6.7220   0.4204   6.7220   0.4204   6.7220   0.4204 -0.000000 0.000000 
1 1 1  -56    0   22 o   1.3680   0.8812   1.3680   0.8812   1.3680   0.8812 -0.000000 0.000000 
1 1 1  -56    0   23 o   10.230   0.3291   10.230   0.3291   10.230   0.3291 -0.000000 0.000000 
1 1 1  -56    0   24 o   6.1630   0.5018   6.1630   0.5018   6.1630   0.5018 -0.000000 0.000000 
1 1 1  -56    0   25 o   10.450   0.3404   10.450   0.3404   10.450   0.3404 -0.000000 0.000000 
1 1 1  -56    0   26 o   7.0600   0.4859   7.0600   0.4859   7.0600   0.4859 -0.000000 0.000000 
1 1 1  -56    2    1 o   2.9000   0.6319   2.8540   0.9188   2.9450   0.8678 -0.9063000E-01 1.264000 
1 1 1  -56    2    2 o   4.6930   0.4653   3.5690   0.7837   5.8160   0.5017 -2.247000 0.9305000 
1 1 1  -56    2    3 o   2.8080   0.5405   3.1410   0.8053   2.4760   0.7212 0.6650000 1.081000 
1 1 1  -56    2    4 o   5.7860   0.2307   5.6410   0.3076   5.9300   0.3438 -0.2883000 0.4613000 
1 1 1  -56    2    5 o   2.5520   0.6262   3.4180   1.0770   1.6850   0.6397 1.733000 1.252000 
1 1 1  -56    2    6 o   7.0140   0.3558   6.7470   0.6136   7.2810   0.3602 -0.5332000 0.7115000 
1 1 1  -56    2    7 o   9.1770   0.2741   9.4120   0.4636   8.9410   0.2927 0.4711000 0.5483000 
1 1 1  -56    2    8 o   8.9690   0.3024   9.2040   0.4295   8.7350   0.4257 0.4693000 0.6047000 
1 1 1  -56    2    9 o   8.5610   0.3019   8.6010   0.4100   8.5220   0.4433 0.7873000E-01 0.6038000 
1 1 1  -56    2   10 o   7.0150   0.3765   7.2140   0.4528   6.8160   0.6017 0.3976000 0.7531000 
1 1 1  -56    2   11 o   7.9840   0.3263   8.2940   0.4253   7.6730   0.4951 0.6214000 0.6527000 
1 1 1  -56    2   12 o   2.1190   0.5945   2.1300   0.9006   2.1080   0.7762 0.2142000E-01 1.189000 
1 1 1  -56    2   13 o   6.8060   0.2595   7.2430   0.3457   6.3680   0.3870 0.8749000 0.5190000 
1 1 1  -56    2   14 o   5.6340   0.3211   5.6410   0.4492   5.6270   0.4590 0.1430000E-01 0.6422000 
1 1 1  -56    2   15 o   5.1430   0.3163   5.2660   0.3326   5.0200   0.5381 0.2468000 0.6326000 
1 1 1  -56    2   16 o   11.360   0.1557   11.410   0.2257   11.310   0.2145 0.9440000E-01 0.3114000 
1 1 1  -56    2   17 o   7.7520   0.2304   8.2060   0.3017   7.2980   0.3483 0.9079000 0.4608000 
1 1 1  -56    2   18 o   11.690   0.1642   12.030   0.2140   11.350   0.2492 0.6780000 0.3285000 
1 1 1  -56    2   19 o   13.570   0.1618   13.670   0.2124   13.470   0.2443 0.1934000 0.3237000 
1 1 1  -56    2   20 o   4.9160   0.4525   4.5640   0.5994   5.2680   0.6781 -0.7034000 0.9050000 
1 1 1  -56    2   21 o   4.6130   0.4031   4.7520   0.5257   4.4750   0.6113 0.2773000 0.8062000 
1 1 1  -56    2   22 o   6.5720   0.2962   6.4050   0.4125   6.7380   0.4252 -0.3327000 0.5924000 
1 1 1  -56    2   23 f   9.5380   0.2298   9.5530   0.3041   9.5220   0.3446 0.3131000E-01 0.4596000 
1 1 1  -56    2   24 o   2.9050   0.6199   2.5800   0.8787   3.2310   0.8748 -0.6505000 1.240000 
1 1 1  -56    2   25 o   6.7470   0.3223   6.7220   0.4446   6.7720   0.4667 -0.4977000E-01 0.6446000 
1 1 1  -56    2   26 o   1.8540   0.5975   1.4570   0.7075   2.2520   0.9630 -0.7949000 1.195000 
1 1 1  -56    4    1 o   1.9320   0.5711   2.3390   0.9045   1.5250   0.6973 0.8140000 1.142000 
1 1 1  -56    4    2 o   5.1870   0.3667   4.8160   0.6065   5.5580   0.4126 -0.7417000 0.7335000 
1 1 1  -56    4    3 o   1.7950   0.5304   1.5050   0.6929   2.0840   0.8031 -0.5788000 1.061000 
1 1 1  -56    4    4 o   1.5270   0.4770   1.3310   0.6079   1.7230   0.7353 -0.3923000 0.9541000 
1 1 1  -56    4    5 o   2.5870   0.7398   3.1800   1.1540   1.9950   0.9262 1.185000 1.480000 
1 1 1  -56    4    6 o   13.030   0.2717   13.280   0.4473   12.790   0.3085 0.4871000 0.5433000 
1 1 1  -56    4    7 o   13.480   0.2644   13.200   0.4264   13.770   0.3127 -0.5699000 0.5288000 
1 1 1  -56    4    8 o   7.2930   0.4029   7.1540   0.6779   7.4320   0.4355 -0.2780000 0.8057000 
1 1 1  -56    4    9 o   3.7260   0.6415   2.9150   1.0930   4.5370   0.6720 -1.622000 1.283000 
1 1 1  -56    4   10 o   15.150   0.2448   15.070   0.4018   15.220   0.2796 -0.1526000 0.4895000 
1 1 1  -56    4   11 f   9.9650   0.2948   9.4260   0.4911   10.500   0.3262 -1.078000 0.5896000 
1 1 1  -56    4   12 o   12.590   0.2056   12.810   0.2831   12.370   0.2983 0.4410000 0.4113000 
1 1 1  -56    4   13 o   6.7790   0.3102   6.5980   0.4454   6.9600   0.4318 -0.3619000 0.6204000 
1 1 1  -56    4   14 o   3.8150   0.7144   3.6260   1.0940   4.0040   0.9190 -0.3785000 1.429000 
1 1 1  -56    4   15 o   1.9390   0.6296   2.2400   0.9836   1.6380   0.7862 0.6023000 1.259000 
1 1 1  -56    4   16 o   10.270   0.1981   10.310   0.1919   10.220   0.3466 0.8712000E-01 0.3962000 
1 1 1  -56    4   17 o   9.7760   0.1858   9.7380   0.2733   9.8140   0.2518 -0.7536000E-01 0.3716000 
1 1 1  -56    4   18 o   4.2960   0.3758   4.6430   0.4743   3.9500   0.5829 0.6931000 0.7515000 
1 1 1  -56    4   19 o   6.6430   0.2646   6.5400   0.3731   6.7470   0.3751 -0.2067000 0.5291000 
1 1 1  -56    4   20 o   3.2420   0.6399   3.5560   0.8065   2.9280   0.9937 0.6276000 1.280000 
1 1 1  -56    4   21 o   1.8720   0.5524   2.0650   0.8055   1.6780   0.7561 0.3872000 1.105000 
1 1 1  -56    4   22 o   4.0330   0.4984   4.1090   0.6551   3.9570   0.7514 0.1527000 0.9969000 
1 1 1  -56    4   23 o   11.440   0.2095   11.500   0.2727   11.370   0.3181 0.1320000 0.4190000 
1 1 1  -56    4   24 o   12.500   0.2232   12.570   0.3161   12.430   0.3152 0.1469000 0.4464000 
1 1 1  -56    4   25 o   3.1720   0.6818   2.5090   0.8991   3.8350   1.0250 -1.326000 1.364000 
1 1 1  -56    4   26 o   6.9460   0.3565   6.7590   0.4813   7.1330   0.5262 -0.3737000 0.7131000 
1 1 1  -56    6    1 o   7.1330   0.2957   7.4720   0.4582   6.7950   0.3739 0.6772000 0.5914000 
1 1 1  -56    6    2 o   2.8330   0.6050   3.3540   0.8782   2.3130   0.8325 1.040000 1.210000 
1 1 1  -56    6    3 f   4.7900   0.3679   5.0240   0.5561   4.5560   0.4819 0.4686000 0.7358000 
1 1 1  -56    6    4 o   5.6180   0.3076   6.2480   0.3676   4.9880   0.4932 1.260000 0.6151000 
1 1 1  -56    6    5 o   8.1090   0.4424   8.8700   0.6667   7.3480   0.5816 1.521000 0.8847000 
1 1 1  -56    6    6 o   15.850   0.2881   15.560   0.4706   16.140   0.3324 -0.5775000 0.5762000 
1 1 1  -56    6    7 o   8.0690   0.4045   8.5040   0.6355   7.6350   0.5005 0.8685000 0.8089000 
1 1 1  -56    6    8 o   2.0740   0.6624   2.6160   1.0980   1.5320   0.7410 1.084000 1.325000 
1 1 1  -56    6    9 o   6.2350   0.6005   5.2930   1.0910   7.1770   0.5014 -1.883000 1.201000 
1 1 1  -56    6   10 o   4.6750   0.6457   5.1530   0.9922   4.1970   0.8265 0.9553000 1.291000 
1 1 1  -56    6   11 o   13.070   0.2286   13.390   0.3150   12.750   0.3313 0.6401000 0.4571000 
1 1 1  -56    6   12 o   5.4160   0.4504   5.4170   0.6331   5.4140   0.6408 0.2734000E-02 0.9008000 
1 1 1  -56    6   13 o   8.8070   0.2977   8.3400   0.4441   9.2740   0.3967 -0.9347000 0.5955000 
1 1 1  -56    6   14 o   2.9680   0.6864   3.1710   0.9697   2.7640   0.9718 0.4073000 1.373000 
1 1 1  -56    6   15 o   5.4230   0.4656   6.0280   0.5763   4.8170   0.7314 1.211000 0.9312000 
1 1 1  -56    6   16 o   9.0700   0.1631   9.1860   0.2069   8.9540   0.2521 0.2322000 0.3261000 
1 1 1  -56    6   17 o   5.7180   0.3028   5.3750   0.4724   6.0610   0.3790 -0.6860000 0.6057000 
1 1 1  -56    6   18 o   10.260   0.1846   10.550   0.2465   9.9820   0.2747 0.5647000 0.3691000 
1 1 1  -56    6   19 o   6.5210   0.2760   6.3120   0.3814   6.7290   0.3989 -0.4170000 0.5519000 
1 1 1  -56    6   20 o   2.1910   0.5964   2.7060   0.8881   1.6770   0.7963 1.028000 1.193000 
1 1 1  -56    6   21 o   1.4130   0.4761   1.3090   0.6323   1.5160   0.7120 -0.2077000 0.9523000 
1 1 1  -56    6   22 o   4.4240   0.4720   4.3310   0.6594   4.5180   0.6757 -0.1875000 0.9441000 
1 1 1  -56    6   23 o   11.530   0.2661   11.510   0.3488   11.560   0.4018 -0.5353000E-01 0.5321000 
1 1 1  -56    6   24 o   5.6400   0.4189   5.7680   0.5524   5.5120   0.6299 0.2553000 0.8378000 
1 1 1  -56    6   25 o   3.2770   0.6485   3.1170   0.9036   3.4360   0.9305 -0.3186000 1.297000 
1 1 1  -56    8    1 o   2.4450   0.5881   2.9010   0.8493   1.9900   0.8138 0.9105000 1.176000 
1 1 1  -56    8    2 o   7.0350   0.3167   6.5040   0.5323   7.5650   0.3434 -1.061000 0.6334000 
1 1 1  -56    8    3 o   5.8190   0.3411   5.5880   0.5646   6.0510   0.3830 -0.4624000 0.6822000 
1 1 1  -56    8    4 o   4.4110   0.4055   4.6320   0.6321   4.1900   0.5079 0.4426000 0.8109000 
1 1 1  -56    8    5 o   9.2680   0.2856   9.2380   0.2968   9.2970   0.4880 -0.5869000E-01 0.5712000 
1 1 1  -56    8    6 o   3.1780   0.6356   2.6990   1.1740   3.6570   0.4884 -0.9580000 1.271000 
1 1 1  -56    8    7 o   6.0120   0.6818   4.8300   1.2250   7.1950   0.5990 -2.366000 1.364000 
1 1 1  -56    8    8 o   7.2140   0.5080   7.2590   0.8239   7.1690   0.5946 0.9005000E-01 1.016000 
1 1 1  -56    8    9 o   2.3130   0.6882   1.8880   0.9139   2.7390   1.0290 -0.8514000 1.376000 
1 1 1  -56    8   10 o   2.2220   1.0510   2.2220   1.0510  ?   ?       ?      ? 
1 1 1  -56    8   11 o   2.4990   0.6983   2.6820   1.0070   2.3150   0.9678 0.3670000 1.397000 
1 1 1  -56    8   12 o   15.370   0.2385   14.890   0.3382   15.860   0.3362 -0.9687000 0.4769000 
1 1 1  -56    8   13 o   2.2990   0.6791   2.0210   0.9024   2.5770   1.0150 -0.5560000 1.358000 
1 1 1  -56    8   14 o   3.4850   0.5584   3.7610   0.9814   3.2090   0.5331 0.5519000 1.117000 
1 1 1  -56    8   15 o   7.6780   0.1826   7.8640   0.2301   7.4910   0.2836 0.3727000 0.3653000 
1 1 1  -56    8   16 o   16.070   0.1522   16.360   0.2382   15.790   0.1896 0.5611000 0.3045000 
1 1 1  -56    8   17 o   8.3110   0.2067   8.5940   0.2853   8.0270   0.2990 0.5670000 0.4133000 
1 1 1  -56    8   18 o   7.6290   0.2499   7.4710   0.3402   7.7860   0.3663 -0.3153000 0.4999000 
1 1 1  -56    8   19 o   3.0490   0.6628   3.2180   0.8029   2.8790   1.0550 0.3392000 1.326000 
1 1 1  -56    8   20 o   2.7070   0.6255   2.0570   0.9004   3.3570   0.8684 -1.300000 1.251000 
1 1 1  -56    8   21 o   1.6740   0.5511   1.5130   0.7194   1.8340   0.8350 -0.3210000 1.102000 
1 1 1  -56    8   22 f   6.5090   0.3362   6.3640   0.4673   6.6540   0.4834 -0.2900000 0.6723000 
1 1 1  -56    8   23 o   5.9050   0.3785   5.7130   0.5331   6.0970   0.5375 -0.3837000 0.7571000 
1 1 1  -56    8   24 o   2.0410   0.6117   2.1290   0.8762   1.9530   0.8539 0.1768000 1.223000 
1 1 1  -56   10    1 o   2.5460   0.6956   2.7080   1.0610   2.3840   0.8995 0.3242000 1.391000 
1 1 1  -56   10    2 o   3.6440   0.6497   4.1030   0.9204   3.1840   0.9171 0.9193000 1.299000 
1 1 1  -56   10    3 o   2.2630   0.5847   2.0380   0.8299   2.4890   0.8240 -0.4511000 1.169000 
1 1 1  -56   10    4 o   6.7090   0.2600   6.8800   0.3733   6.5370   0.3621 0.3429000 0.5201000 
1 1 1  -56   10    5 o   12.580   0.1616   13.000   0.2330   12.170   0.2241 0.8314000 0.3233000 
1 1 1  -56   10    6 o   2.2500   0.7084   2.8750   1.2380   1.6240   0.6884 1.252000 1.417000 
1 1 1  -56   10    7 o   5.6100   0.6217   5.8460   1.1320   5.3740   0.5141 0.4726000 1.243000 
1 1 1  -56   10    8 f   2.3400   0.5633   2.7400   0.8069   1.9400   0.7862 0.7999000 1.127000 
1 1 1  -56   10    9 o   5.1180   0.6457   5.0510   1.2330   5.1850   0.3853 -0.1345000 1.291000 
1 1 1  -56   10   10 o   8.6880   0.2891   8.6750   0.5168   8.7020   0.2595 -0.2713000E-01 0.5783000 
1 1 1  -56   10   11 o   5.8780   0.2411   6.0170   0.3256   5.7380   0.3558 0.2789000 0.4822000 
1 1 1  -56   10   12 o   10.220   0.1616   10.430   0.1955  10.0000   0.2574 0.4316000 0.3233000 
1 1 1  -56   10   13 o   13.730   0.1699   13.710   0.2403   13.740   0.2403 -0.2839000E-01 0.3398000 
1 1 1  -56   10   14 o   11.690   0.1697   11.790   0.2701   11.590   0.2055 0.2093000 0.3394000 
1 1 1  -56   10   15 o   1.6370   0.4880   1.9660   0.7630   1.3080   0.6088 0.6578000 0.9761000 
1 1 1  -56   10   16 o   5.0560   0.3228   5.6800   0.4201   4.4330   0.4904 1.247000 0.6457000 
1 1 1  -56   10   17 o   5.0470   0.3809   4.8180   0.5821   5.2750   0.4913 -0.4573000 0.7617000 
1 1 1  -56   10   18 o   5.7550   0.5099   5.7550   0.5099  ?   ?       ?      ? 
1 1 1  -56   10   19 o   5.2500   0.3995   5.2240   0.6357   5.2760   0.4840 -0.5264000E-01 0.7990000 
1 1 1  -56   10   20 o   5.9860   0.3576   5.8430   0.4838   6.1300   0.5266 -0.2877000 0.7151000 
1 1 1  -56   10   21 o   5.9130   0.3723   5.5230   0.5393   6.3030   0.5135 -0.7809000 0.7446000 
1 1 1  -56   10   22 o   3.6580   0.6103   3.6650   0.8416   3.6510   0.8841 0.1396000E-01 1.221000 
1 1 1  -56   10   23 o   3.9620   0.5895   3.3440   0.9059   4.5800   0.7545 -1.237000 1.179000 
1 1 1  -56   12    1 o   4.4720   0.5013   3.9750   0.8059   4.9690   0.5965 -0.9936000 1.003000 
1 1 1  -56   12    2 o   5.4330   0.3918   5.2320   0.6111   5.6340   0.4904 -0.4014000 0.7836000 
1 1 1  -56   12    3 o   1.8730   0.5744   1.6570   0.7992   2.0890   0.8252 -0.4320000 1.149000 
1 1 1  -56   12    4 o   1.8710   0.5948   1.8300   0.8522   1.9130   0.8300 -0.8369000E-01 1.190000 
1 1 1  -56   12    5 o   1.4970   0.4972   1.6700   0.7592   1.3240   0.6423 0.3459000 0.9944000 
1 1 1  -56   12    6 o   6.2340   0.3267   6.1640   0.4910   6.3040   0.4310 -0.1399000 0.6533000 
1 1 1  -56   12    7 o   3.9600   0.6113   4.3030   0.9738   3.6170   0.7394 0.6862000 1.223000 
1 1 1  -56   12    8 o   3.4160   0.6188   2.9650   1.0560   3.8680   0.6456 -0.9036000 1.238000 
1 1 1  -56   12    9 o   2.0990   0.6222   2.5490   1.0070   1.6500   0.7306 0.8997000 1.244000 
1 1 1  -56   12   10 o   6.9380   0.3141   6.5000   0.5153   7.3750   0.3592 -0.8752000 0.6282000 
1 1 1  -56   12   11 o   6.9330   0.3220   6.5020   0.5432   7.3630   0.3460 -0.8614000 0.6440000 
1 1 1  -56   12   12 o   4.8950   0.4331   4.9120   0.7044   4.8770   0.5040 0.3460000E-01 0.8662000 
1 1 1  -56   12   13 o   7.5000   0.3104   7.4220   0.5129   7.5780   0.3498 -0.1557000 0.6208000 
1 1 1  -56   12   14 o   7.8300   0.2646   7.5610   0.4271   8.1000   0.3125 -0.5392000 0.5292000 
1 1 1  -56   12   15 o   2.1330   0.6011   2.4030   0.9200   1.8640   0.7739 0.5390000 1.202000 
1 1 1  -56   12   16 o   6.9600   0.3329   7.5830   0.4430   6.3370   0.4971 1.245000 0.6659000 
1 1 1  -56   12   17 o   3.5470   0.6314   3.3960   0.9491   3.6990   0.8331 -0.3033000 1.263000 
1 1 1  -56   12   18 o   6.4040   0.3067   6.5390   0.4408   6.2700   0.4266 0.2695000 0.6135000 
1 1 1  -56   12   19 o   4.3450   0.4817   4.1090   0.7590   4.5820   0.5933 -0.4727000 0.9634000 
1 1 1  -56   12   20 o   3.7880   0.5561   3.5360   0.8577   4.0400   0.7080 -0.5038000 1.112000 
1 1 1  -56   12   21 o   4.7090   0.5004   4.2210   0.7646   5.1960   0.6458 -0.9750000 1.001000 
1 1 1  -56   12   22 o   6.7360   0.4190   7.3480   0.5153   6.1230   0.6609 1.225000 0.8381000 
1 1 1  -56   14    1 o   2.2720   0.6434   2.1290   0.9076   2.4160   0.9122 -0.2876000 1.287000 
1 1 1  -56   14    2 o   3.0760   0.6406   2.6330   0.9636   3.5190   0.8444 -0.8861000 1.281000 
1 1 1  -56   14    3 o   3.8980   0.5648   3.2150   0.9297   4.5810   0.6417 -1.366000 1.130000 
1 1 1  -56   14    4 f   2.3570   0.6391   2.5290   0.9448   2.1840   0.8609 0.3455000 1.278000 
1 1 1  -56   14    5 o   1.5710   0.5187   1.9180   0.8429   1.2240   0.6047 0.6938000 1.037000 
1 1 1  -56   14    6 o   2.0500   0.6000   2.1380   0.8849   1.9630   0.8107 0.1756000 1.200000 
1 1 1  -56   14    7 o   2.7500   0.6820   3.2430   1.0720   2.2580   0.8428 0.9855000 1.364000 
1 1 1  -56   14    8 o   6.1700   0.4282   6.1330   0.6818   6.2070   0.5184 -0.7389000E-01 0.8565000 
1 1 1  -56   14    9 o   3.5460   0.6364   3.5410   0.9243   3.5520   0.8749 -0.1136000E-01 1.273000 
1 1 1  -56   14   10 o   6.8090   0.3528   6.6970   0.5267   6.9210   0.4694 -0.2244000 0.7055000 
1 1 1  -56   14   11 o   7.5900   0.3191   7.3170   0.4766   7.8620   0.4244 -0.5445000 0.6382000 
1 1 1  -56   14   12 o   1.7980   0.5819   2.0580   0.9059   1.5380   0.7305 0.5205000 1.164000 
1 1 1  -56   14   13 o   4.2120   0.5659   3.8460   0.8945   4.5780   0.6934 -0.7324000 1.132000 
1 1 1  -56   14   14 o   3.3580   0.6103   3.9390   0.8745   2.7770   0.8515 1.162000 1.221000 
1 1 1  -56   14   15 o   2.8130   0.6317   2.4870   0.9563   3.1380   0.8258 -0.6510000 1.263000 
1 1 1  -56   14   16 o   6.4590   0.3582   6.1290   0.5785   6.7880   0.4226 -0.6593000 0.7165000 
1 1 1  -56   14   17 o   3.3150   0.5920   2.4450   0.9644   4.1850   0.6869 -1.740000 1.184000 
1 1 1  -56   14   18 o   4.1000   0.6588   3.5860   1.1220   4.6130   0.6900 -1.027000 1.318000 
1 1 1  -56   14   19 o   4.0830   0.6674   4.1990   1.0550   3.9680   0.8181 0.2309000 1.335000 
1 1 1  -56   14   20 o   2.1160   0.6283   2.5790   1.0020   1.6520   0.7586 0.9271000 1.257000 
1 1 1  -56   16    1 o   3.2120   0.6641   3.9620   0.9423   2.4620   0.9361 1.501000 1.328000 
1 1 1  -56   16    2 o   2.9040   0.6119   1.9780   0.8846   3.8310   0.8458 -1.853000 1.224000 
1 1 1  -56   16    3 o   4.3100   0.5733   4.2570   0.8620   4.3630   0.7560 -0.1055000 1.147000 
1 1 1  -56   16    4 o   4.4620   0.5546   4.1580   0.8776   4.7670   0.6782 -0.6089000 1.109000 
1 1 1  -56   16    5 o   6.4280   0.3830   6.5130   0.5428   6.3430   0.5405 0.1697000 0.7660000 
1 1 1  -56   16    6 o   3.0560   0.6395   3.7970   0.8949   2.3150   0.9138 1.482000 1.279000 
1 1 1  -56   16    7 o   5.0110   0.5725   5.0360   0.9360   4.9860   0.6595 0.5038000E-01 1.145000 
1 1 1  -56   16    8 o   2.8120   0.5862   1.7500   0.8426   3.8730   0.8153 -2.124000 1.172000 
1 1 1  -56   16    9 o   4.3150   0.6348   3.9590   1.0750   4.6720   0.6753 -0.7125000 1.270000 
1 1 1  -56   16   10 o   5.4710   0.5248   5.0330   0.9026   5.9100   0.5357 -0.8773000 1.050000 
1 1 1  -56   16   11 o   3.8790   0.6903   3.4740   1.1570   4.2840   0.7530 -0.8102000 1.381000 
1 1 1  -56   16   12 o   4.1950   0.6916   4.2040   1.1520   4.1860   0.7651 0.1745000E-01 1.383000 
1 1 1  -56   16   13 o   2.4930   0.6723   2.1040   0.9564   2.8820   0.9452 -0.7784000 1.345000 
1 1 1  -56   16   14 o   3.9330   0.6186   3.9090   0.9694   3.9580   0.7688 -0.4928000E-01 1.237000 
1 1 1  -56   16   15 o   6.0180   0.4134   6.0510   0.6583   5.9860   0.5001 0.6597000E-01 0.8267000 
1 1 1  -56   16   16 o   2.6870   0.6510   3.4570   1.0050   1.9160   0.8277 1.541000 1.302000 
1 1 1  -56   16   17 f   3.8120   0.6109   3.1060   1.0200   4.5180   0.6732 -1.412000 1.222000 
1 1 1  -56   16   18 o   1.7850   0.8605   1.7850   0.8605  ?   ?       ?      ? 
1 1 1  -56   18    1 o   1.9820   0.6551   2.2480   1.0170   1.7150   0.8265 0.5336000 1.310000 
1 1 1  -56   18    2 o   2.1930   0.6550   2.2880   0.9634   2.0990   0.8876 0.1891000 1.310000 
1 1 1  -56   18    3 o   2.2920   0.6631   2.6210   1.0110   1.9640   0.8588 0.6574000 1.326000 
1 1 1  -56   18    4 o   2.2300   0.6580   2.4500   0.9901   2.0110   0.8669 0.4398000 1.316000 
1 1 1  -56   18    5 f   3.0150   0.6622   2.4080   0.9820   3.6220   0.8888 -1.215000 1.324000 
1 1 1  -56   18    6 o   2.1040   0.6293   2.5870   1.0040   1.6200   0.7585 0.9678000 1.259000 
1 1 1  -56   18    7 o   2.2950   0.6478   2.0250   0.8992   2.5650   0.9328 -0.5396000 1.296000 
1 1 1  -56   18    8 o   2.5310   0.7099   2.6520   1.0810   2.4110   0.9201 0.2404000 1.420000 
1 1 1  -56   18    9 o   3.2490   0.7006   3.3810   1.0630   3.1170   0.9133 0.2640000 1.401000 
1 1 1  -56   18   10 f   1.7500   0.5595   1.3840   0.6937   2.1170   0.8780 -0.7333000 1.119000 
1 1 1  -56   18   11 o   6.4630   0.4250   6.3900   0.6855   6.5360   0.5024 -0.1464000 0.8499000 
1 1 1  -56   18   12 o   2.0030   0.6104   1.6760   0.8064   2.3300   0.9167 -0.6546000 1.221000 
1 1 1  -56   18   13 o   3.6820   0.6432   4.7620   0.8848   2.6020   0.9337 2.160000 1.286000 
1 1 1  -56   18   14 o   4.6290   0.5821   4.4810   0.9184   4.7770   0.7156 -0.2959000 1.164000 
1 1 1  -56   20    2 o   1.9990   0.6436   1.9440   0.9041   2.0540   0.9164 -0.1103000 1.287000 
1 1 1  -56   20    3 f   3.4960   0.7242   3.0760   1.0820   3.9170   0.9626 -0.8411000 1.448000 
1 1 1  -56   20    4 o   2.1810   0.6692   1.9880   0.9452   2.3740   0.9475 -0.3867000 1.338000 
1 1 1  -56   20    5 o   2.3220   0.7059   1.9210   0.9176   2.7230   1.0730 -0.8017000 1.412000 
1 1 1  -56   20    6 o   1.6110   0.7851  ?   ?    1.6110   0.7851      ?      ? 
1 1 1  -56   20    7 o   4.9360   0.6069   5.1140   0.7886   4.7580   0.9228 0.3568000 1.214000 
1 1 1  -55    1    1 o   12.820   0.2164   12.780   0.3005   12.860   0.3115 -0.8385000E-01 0.4328000 
1 1 1  -55    1    2 o   11.360   0.1769   11.410   0.2482   11.310   0.2521 0.9384000E-01 0.3538000 
1 1 1  -55    1    3 f   3.7730   0.3534   3.7730   0.4934   3.7730   0.5062 0.2320000E-03 0.7069000 
1 1 1  -55    1    4 o   9.7580   0.1586   9.5760   0.2257   9.9390   0.2230 -0.3626000 0.3173000 
1 1 1  -55    1    5 o   2.3130   0.4558   2.2100   0.6172   2.4160   0.6708 -0.2055000 0.9116000 
1 1 1  -55    1    6 o   5.2240   0.5712  ?   ?    5.2240   0.5712      ?      ? 
1 1 1  -55    1    7 o   11.350   0.2143  ?   ?    11.350   0.2143      ?      ? 
1 1 1  -55    1    8 o   9.8840   0.1899   9.6300   0.3205   10.140   0.2036 -0.5075000 0.3797000 
1 1 1  -55    1    9 o   19.290   0.1957   19.500   0.3235   19.080   0.2205 0.4229000 0.3914000 
1 1 1  -55    1   10 o   11.930   0.1699   12.270   0.2806   11.590   0.1917 0.6862000 0.3399000 
1 1 1  -55    1   11 o   9.3250   0.1866   9.2770   0.3016   9.3720   0.2199 -0.9478000E-01 0.3733000 
1 1 1  -55    1   12 o   3.9360   0.4793  ?   ?    3.9360   0.4793      ?      ? 
1 1 1  -55    1   13 o   4.2430   0.5564   4.5760   0.6519   3.9090   0.9019 0.6674000 1.113000 
1 1 1  -55    1   14 o   3.8050   0.4295   4.7300   0.3562   2.8800   0.7817 1.851000 0.8591000 
1 1 1  -55    1   15 o   12.840   0.1430   12.930   0.2044   12.750   0.1999 0.1743000 0.2859000 
1 1 1  -55    1   16 o   13.940   0.1376   13.890   0.1822   14.000   0.2064 -0.1029000 0.2753000 
1 1 1  -55    1   17 o   7.3720   0.2094   7.2300   0.2827   7.5130   0.3089 -0.2832000 0.4187000 
1 1 1  -55    1   18 o   17.920   0.1761   18.050   0.2286   17.800   0.2680 0.2536000 0.3522000 
1 1 1  -55    1   19 o   11.530   0.2160   11.410   0.2579   11.650   0.3467 -0.2351000 0.4321000 
1 1 1  -55    1   20 o   8.9150   0.2141   9.0730   0.2782   8.7570   0.3255 0.3163000 0.4282000 
1 1 1  -55    1   21 f   11.340   0.1882   11.370   0.2486   11.320   0.2827 0.5338000E-01 0.3765000 
1 1 1  -55    1   22 o   2.4930   0.5949   2.1020   0.8143   2.8840   0.8674 -0.7818000 1.190000 
1 1 1  -55    1   23 o   2.1410   0.5831   2.4760   0.8511   1.8050   0.7974 0.6713000 1.166000 
1 1 1  -55    1   24 o   8.4590   0.2546   8.1930   0.3538   8.7240   0.3661 -0.5315000 0.5092000 
1 1 1  -55    1   25 o   10.110   0.2314   10.150   0.3063   10.070   0.3470 0.7907000E-01 0.4629000 
1 1 1  -55    1   26 o   5.1900   0.5326   5.5530   0.6162   4.8260   0.8688 0.7263000 1.065000 
1 1 1  -55    3    1 o   2.3680   0.6336   2.4430   0.9202   2.2940   0.8713 0.1490000 1.267000 
1 1 1  -55    3    2 o   7.4060   0.2638   7.1500   0.4127   7.6630   0.3286 -0.5132000 0.5275000 
1 1 1  -55    3    3 o   6.0750   0.3071   5.9130   0.4348   6.2370   0.4338 -0.3244000 0.6143000 
1 1 1  -55    3    4 o   11.600   0.1627   11.600   0.2366   11.600   0.2233 0.3365000E-02 0.3253000 
1 1 1  -55    3    5 o   7.5880   0.3710   8.1520   0.5930   7.0230   0.4462 1.129000 0.7421000 
1 1 1  -55    3    6 o   6.9200   0.4016   6.6780   0.6816   7.1610   0.4250 -0.4830000 0.8032000 
1 1 1  -55    3    7 o   7.4040   0.3440   7.7830   0.5490   7.0260   0.4145 0.7565000 0.6880000 
1 1 1  -55    3    8 o   7.5710   0.3482   7.8800   0.5625   7.2620   0.4104 0.6176000 0.6963000 
1 1 1  -55    3    9 o   6.3820   0.3724   6.6220   0.6021   6.1420   0.4383 0.4796000 0.7447000 
1 1 1  -55    3   10 o   9.7110   0.2663   9.9880   0.4328   9.4340   0.3105 0.5541000 0.5326000 
1 1 1  -55    3   11 o   8.0900   0.3013   8.2660   0.4853   7.9140   0.3571 0.3527000 0.6025000 
1 1 1  -55    3   12 o   5.3510   0.3488   5.6260   0.4560   5.0750   0.5279 0.5511000 0.6976000 
1 1 1  -55    3   13 o   6.7900   0.2891   7.2750   0.3777   6.3050   0.4377 0.9700000 0.5781000 
1 1 1  -55    3   14 o   9.7450   0.2293   9.5650   0.3240   9.9250   0.3246 -0.3603000 0.4586000 
1 1 1  -55    3   15 o   2.0990   0.5692   2.0960   0.7565   2.1020   0.8506 -0.5840000E-02 1.138000 
1 1 1  -55    3   16 o   6.0300   0.2863   6.2630   0.4295   5.7960   0.3786 0.4669000 0.5725000 
1 1 1  -55    3   17 o   10.230   0.1709   10.010   0.2381   10.450   0.2453 -0.4342000 0.3419000 
1 1 1  -55    3   18 o   7.9950   0.2075   7.8680   0.2834   8.1210   0.3032 -0.2533000 0.4150000 
1 1 1  -55    3   19 o   11.110   0.1764   11.350   0.2335   10.880   0.2643 0.4648000 0.3527000 
1 1 1  -55    3   20 o   18.580   0.1991   18.520   0.2473   18.630   0.3121 -0.1026000 0.3982000 
1 1 1  -55    3   21 o   3.9380   0.4908   2.9370   0.8046   4.9390   0.5624 -2.001000 0.9816000 
1 1 1  -55    3   22 o   4.4450   0.4428   4.7960   0.5330   4.0940   0.7071 0.7017000 0.8855000 
1 1 1  -55    3   23 o   10.680   0.2176   10.700   0.2873   10.660   0.3270 0.3602000E-01 0.4353000 
1 1 1  -55    3   24 o   3.5760   0.5938   3.7600   0.7588   3.3930   0.9136 0.3676000 1.188000 
1 1 1  -55    3   25 o   3.3180   0.7108   3.2200   0.9436   3.4170   1.0630 -0.1973000 1.422000 
1 1 1  -55    3   26 o   2.8470   0.6651   2.6530   0.9178   3.0400   0.9628 -0.3872000 1.330000 
1 1 1  -55    5    1 f   6.8680   0.2980   6.9030   0.4712   6.8340   0.3648 0.6874000E-01 0.5959000 
1 1 1  -55    5    2 f   5.2440   0.3597   5.0670   0.5831   5.4200   0.4215 -0.3534000 0.7195000 
1 1 1  -55    5    3 o   10.780   0.2016   11.020   0.2854   10.550   0.2848 0.4707000 0.4032000 
1 1 1  -55    5    4 o   4.5920   0.3415   4.8470   0.4261   4.3370   0.5338 0.5105000 0.6830000 
1 1 1  -55    5    5 o   3.1550   0.7870   3.5190   1.2030   2.7920   1.0150 0.7268000 1.574000 
1 1 1  -55    5    6 o   2.3300   0.7238   2.5940   1.0930   2.0660   0.9488 0.5282000 1.448000 
1 1 1  -55    5    7 o   3.6230   0.7867   3.3320   1.1460   3.9130   1.0780 -0.5811000 1.573000 
1 1 1  -55    5    8 o   5.1590   0.6499   6.4360   0.7358   3.8820   1.0720 2.554000 1.300000 
1 1 1  -55    5    9 o   7.7870   0.4469   7.5210   0.6967   8.0520   0.5600 -0.5317000 0.8939000 
1 1 1  -55    5   10 o   14.950   0.2952   14.880   0.4342   15.030   0.4000 -0.1436000 0.5903000 
1 1 1  -55    5   11 o   2.1280   0.6762   2.2520   0.9990   2.0040   0.9117 0.2485000 1.352000 
1 1 1  -55    5   12 o   8.3960   0.3937   8.4360   0.5756   8.3560   0.5373 0.7957000E-01 0.7874000 
1 1 1  -55    5   13 f   17.450   0.2417   17.370   0.2870   17.530   0.3889 -0.1603000 0.4833000 
1 1 1  -55    5   14 o   11.810   0.3237  ?   ?    11.810   0.3237      ?      ? 
1 1 1  -55    5   15 o   9.1060   0.2278   8.7100   0.4033   9.5020   0.2119 -0.7924000 0.4556000 
1 1 1  -55    5   16 o   3.0230   0.4378   2.9300   0.6024   3.1170   0.6354 -0.1867000 0.8755000 
1 1 1  -55    5   17 o   2.1420   0.4950   2.8120   0.7318   1.4710   0.6667 1.341000 0.9899000 
1 1 1  -55    5   18 o   6.8140   0.2451   7.1090   0.3248   6.5190   0.3671 0.5898000 0.4901000 
1 1 1  -55    5   19 o   6.9260   0.2602   6.9080   0.3526   6.9430   0.3827 -0.3556000E-01 0.5204000 
1 1 1  -55    5   20 o   2.8510   0.6550   3.1980   0.8705   2.5040   0.9789 0.6941000 1.310000 
1 1 1  -55    5   21 o   3.7090   0.5263   4.0700   0.6470   3.3480   0.8302 0.7218000 1.053000 
1 1 1  -55    5   22 o   9.9310   0.2265   9.8370   0.3047   10.020   0.3353 -0.1870000 0.4531000 
1 1 1  -55    5   23 o   6.0410   0.3806   5.9100   0.5489   6.1730   0.5273 -0.2630000 0.7611000 
1 1 1  -55    5   24 o   13.120   0.2756   13.220   0.3937   13.030   0.3859 0.1909000 0.5513000 
1 1 1  -55    5   25 o   8.9370   0.2708   8.7690   0.3639   9.1060   0.4010 -0.3364000 0.5415000 
1 1 1  -55    5   26 o   5.2060   0.4514   5.1740   0.6068   5.2380   0.6685 -0.6403000E-01 0.9028000 
1 1 1  -55    7    1 o   12.890   0.2044   13.110   0.3286   12.670   0.2432 0.4417000 0.4088000 
1 1 1  -55    7    2 o   3.2340   0.5864   3.4130   0.8899   3.0550   0.7639 0.3583000 1.173000 
1 1 1  -55    7    3 o   9.0820   0.2176   9.4220   0.3401   8.7420   0.2716 0.6806000 0.4352000 
1 1 1  -55    7    4 o   2.5890   0.5953   2.4460   0.8351   2.7320   0.8485 -0.2862000 1.191000 
1 1 1  -55    7    5 o   6.1360   0.4848   6.7420   0.8957   5.5300   0.3714 1.212000 0.9697000 
1 1 1  -55    7    6 o   5.8320   0.6049   6.0980   0.9669   5.5650   0.7272 0.5332000 1.210000 
1 1 1  -55    7    7 o   15.280   0.2968   14.750   0.4894   15.810   0.3360 -1.062000 0.5937000 
1 1 1  -55    7    8 o   5.6660   0.5968   6.5950   0.8296   4.7380   0.8582 1.857000 1.194000 
1 1 1  -55    7    9 o   5.7830   0.6279   5.3530   1.0930   6.2130   0.6177 -0.8599000 1.256000 
1 1 1  -55    7   10 o   9.8550   0.3788   9.8380   0.6336   9.8720   0.4155 -0.3455000E-01 0.7577000 
1 1 1  -55    7   11 o   7.1900   0.3744   6.9440   0.5450   7.4360   0.5134 -0.4919000 0.7487000 
1 1 1  -55    7   12 o   12.330   0.2504   12.650   0.3472   12.000   0.3610 0.6404000 0.5009000 
1 1 1  -55    7   13 o   7.0870   0.3806   7.1280   0.5326   7.0450   0.5438 0.8298000E-01 0.7611000 
1 1 1  -55    7   14 o   5.0950   0.5130   5.0530   0.7392   5.1360   0.7117 -0.8329000E-01 1.026000 
1 1 1  -55    7   15 o   6.4050   0.2283   6.1180   0.3428   6.6930   0.3016 -0.5754000 0.4566000 
1 1 1  -55    7   16 o   8.3350   0.1956   8.5970   0.3090   8.0720   0.2400 0.5254000 0.3912000 
1 1 1  -55    7   17 o   11.120   0.1766   11.340   0.2317   10.900   0.2666 0.4400000 0.3532000 
1 1 1  -55    7   18 o   9.6180   0.1989   9.6950   0.2692   9.5400   0.2928 0.1554000 0.3978000 
1 1 1  -55    7   19 o   10.180   0.2523   10.180   0.2746   10.170   0.4233 0.2633000E-02 0.5045000 
1 1 1  -55    7   20 o   7.6190   0.3476   7.4120   0.4437   7.8260   0.5353 -0.4145000 0.6953000 
1 1 1  -55    7   21 o   7.0560   0.3105   6.9950   0.4472   7.1170   0.4308 -0.1221000 0.6209000 
1 1 1  -55    7   22 o   3.5520   0.6645   3.6960   0.8808   3.4080   0.9952 0.2879000 1.329000 
1 1 1  -55    7   23 o   7.2780   0.3176   7.4140   0.4265   7.1420   0.4708 0.2719000 0.6353000 
1 1 1  -55    7   24 o   3.6990   0.5977   4.4730   0.7097   2.9250   0.9620 1.548000 1.195000 
1 1 1  -55    7   25 o   5.2010   0.4574   4.9370   0.6702   5.4660   0.6226 -0.5287000 0.9148000 
1 1 1  -55    9    1 o   10.810   0.2552   11.090   0.3854   10.530   0.3347 0.5651000 0.5104000 
1 1 1  -55    9    2 o   4.2490   0.4397   3.9850   0.6781   4.5120   0.5601 -0.5275000 0.8795000 
1 1 1  -55    9    3 o   8.5910   0.2143   8.8920   0.3036   8.2900   0.3025 0.6021000 0.4286000 
1 1 1  -55    9    4 o   8.1370   0.2084   8.4500   0.2909   7.8240   0.2984 0.6258000 0.4167000 
1 1 1  -55    9    5 o   2.9370   0.5572   2.9960   0.8584   2.8780   0.7107 0.1183000 1.114000 
1 1 1  -55    9    6 o   10.460   0.2008   10.290   0.2822   10.630   0.2858 -0.3409000 0.4017000 
1 1 1  -55    9    7 o   6.6810   0.5105   6.3920   0.9758   6.9700   0.3006 -0.5782000 1.021000 
1 1 1  -55    9    8 o   6.0690   0.4898   6.4850   0.9378   5.6540   0.2833 0.8309000 0.9797000 
1 1 1  -55    9    9 o   6.7470   0.5577   6.6520   0.9191   6.8420   0.6322 -0.1909000 1.115000 
1 1 1  -55    9   10 o   2.7130   0.7359   2.5750   1.0260   2.8500   1.0550 -0.2749000 1.472000 
1 1 1  -55    9   11 o   4.9770   0.5941   4.8210   0.8559   5.1320   0.8241 -0.3108000 1.188000 
1 1 1  -55    9   12 o   6.4800   0.3457   6.5380   0.6308   6.4220   0.2833 0.1160000 0.6915000 
1 1 1  -55    9   13 o   5.0360   0.2839   5.4060   0.3767   4.6660   0.4248 0.7399000 0.5678000 
1 1 1  -55    9   14 o   4.9610   0.3250   5.0760   0.4591   4.8460   0.4603 0.2301000 0.6501000 
1 1 1  -55    9   15 o   21.900   0.1631   21.800   0.2513   21.990   0.2079 -0.1933000 0.3261000 
1 1 1  -55    9   16 o   2.6790   0.5266   2.9950   0.7395   2.3620   0.7499 0.6331000 1.053000 
1 1 1  -55    9   17 f   2.7960   0.5411   3.1790   0.7579   2.4130   0.7724 0.7669000 1.082000 
1 1 1  -55    9   18 o   4.9200   0.3554   5.6390   0.4501   4.2010   0.5501 1.438000 0.7108000 
1 1 1  -55    9   19 o   11.450   0.3796   11.390   0.3852   11.510   0.6543 -0.1215000 0.7593000 
1 1 1  -55    9   20 o   5.1850   0.4398   4.5630   0.6031   5.8080   0.6402 -1.244000 0.8795000 
1 1 1  -55    9   21 o   3.8180   0.5589   4.3520   0.6679   3.2830   0.8962 1.068000 1.118000 
1 1 1  -55    9   22 o   6.3900   0.3503   6.3710   0.4778   6.4100   0.5123 -0.3878000E-01 0.7005000 
1 1 1  -55    9   23 o   3.1440   0.6568   2.9030   0.9374   3.3850   0.9202 -0.4827000 1.314000 
1 1 1  -55    9   24 o   9.1200   0.2743   8.9620   0.3823   9.2780   0.3934 -0.3154000 0.5485000 
1 1 1  -55   11    1 o   2.4200   0.6055   2.9390   0.9014   1.9010   0.8088 1.039000 1.211000 
1 1 1  -55   11    2 o   2.2420   0.6577   1.8680   0.8868   2.6160   0.9714 -0.7479000 1.315000 
1 1 1  -55   11    3 o   7.7470   0.3807   7.8810   0.5863   7.6130   0.4858 0.2686000 0.7614000 
1 1 1  -55   11    4 o   3.4450   0.5759   3.2530   0.8708   3.6370   0.7540 -0.3842000 1.152000 
1 1 1  -55   11    5 o   8.3190   0.2272   8.4230   0.3348   8.2140   0.3074 0.2091000 0.4545000 
1 1 1  -55   11    6 o   5.6820   0.3515   6.3140   0.5469   5.0510   0.4418 1.263000 0.7030000 
1 1 1  -55   11    7 o   8.9380   0.2442   8.5230   0.4161   9.3540   0.2556 -0.8313000 0.4884000 
1 1 1  -55   11    8 o   2.3830   0.5829   2.2160   0.8931   2.5510   0.7493 -0.3349000 1.166000 
1 1 1  -55   11    9 o   8.5050   0.2336   8.4300   0.3837   8.5810   0.2665 -0.1508000 0.4672000 
1 1 1  -55   11   10 o   2.7220   0.6308   2.5640   1.0520   2.8800   0.6959 -0.3164000 1.262000 
1 1 1  -55   11   11 o   3.8330   0.4687   3.3160   0.8133   4.3500   0.4663 -1.034000 0.9375000 
1 1 1  -55   11   12 o   2.2670   0.5758   2.5760   0.8827   1.9580   0.7395 0.6175000 1.152000 
1 1 1  -55   11   13 o   4.0530   0.4654   3.9240   0.7742   4.1820   0.5165 -0.2580000 0.9307000 
1 1 1  -55   11   14 o   3.6060   0.5573   3.7860   0.8656   3.4260   0.7022 0.3605000 1.115000 
1 1 1  -55   11   15 o   10.550   0.2069   11.100   0.3056  10.0000   0.2792 1.095000 0.4139000 
1 1 1  -55   11   16 o   5.8340   0.3309   6.4450   0.4297   5.2230   0.5035 1.222000 0.6619000 
1 1 1  -55   11   17 f   9.1100   0.2658   8.5890   0.4002   9.6300   0.3500 -1.040000 0.5316000 
1 1 1  -55   11   18 o   10.470   0.2239   10.690   0.3517   10.250   0.2773 0.4480000 0.4479000 
1 1 1  -55   11   19 f   5.6600   0.3470   5.6540   0.5189   5.6660   0.4607 -0.1214000E-01 0.6939000 
1 1 1  -55   11   20 o   1.6870   0.5478   1.5680   0.7355   1.8050   0.8122 -0.2371000 1.096000 
1 1 1  -55   11   21 o   5.1810   0.4421   5.1010   0.6154   5.2610   0.6348 -0.1603000 0.8841000 
1 1 1  -55   11   22 o   3.4290   0.6296   2.7570   0.9445   4.1010   0.8326 -1.344000 1.259000 
1 1 1  -55   11   23 f   3.1760   0.7170   2.9720   1.0040   3.3790   1.0240 -0.4070000 1.434000 
1 1 1  -55   13    1 o   2.6630   0.6061   1.9800   0.8606   3.3460   0.8537 -1.366000 1.212000 
1 1 1  -55   13    2 o   5.9750   0.3663   5.9620   0.5461   5.9880   0.4883 -0.2556000E-01 0.7326000 
1 1 1  -55   13    3 o   2.3490   0.6244   2.6390   0.9268   2.0580   0.8371 0.5801000 1.249000 
1 1 1  -55   13    4 o   6.9870   0.3048   6.9950   0.4576   6.9780   0.4029 0.1700000E-01 0.6096000 
1 1 1  -55   13    5 f   5.5810   0.4664   5.7810   0.7235   5.3820   0.5888 0.3986000 0.9328000 
1 1 1  -55   13    6 o   5.5750   0.4913   4.9890   0.8350   6.1600   0.5178 -1.171000 0.9825000 
1 1 1  -55   13    7 o   4.0560   0.6048   3.4280   1.0130   4.6830   0.6610 -1.255000 1.210000 
1 1 1  -55   13    8 o   3.7830   0.5996   3.3430   1.0310   4.2220   0.6119 -0.8797000 1.199000 
1 1 1  -55   13    9 o   4.9490   0.4240   5.1250   0.6494   4.7720   0.5453 0.3530000 0.8480000 
1 1 1  -55   13   10 o   6.4910   0.3202   6.7010   0.4904   6.2820   0.4119 0.4194000 0.6404000 
1 1 1  -55   13   11 o   3.3590   0.5902   4.0480   0.8201   2.6690   0.8491 1.379000 1.180000 
1 1 1  -55   13   12 o   5.8900   0.3669   5.8360   0.5968   5.9440   0.4271 -0.1079000 0.7339000 
1 1 1  -55   13   13 o   6.6670   0.3470   6.3630   0.5304   6.9710   0.4477 -0.6085000 0.6941000 
1 1 1  -55   13   14 o   7.9960   0.2982   8.3090   0.4223   7.6830   0.4212 0.6256000 0.5965000 
1 1 1  -55   13   15 o   6.7200   0.3466   6.7600   0.5069   6.6810   0.4729 0.7867000E-01 0.6933000 
1 1 1  -55   13   16 o   3.1100   0.5866   4.0880   0.8254   2.1310   0.8339 1.957000 1.173000 
1 1 1  -55   13   17 o   12.070   0.2169   11.820   0.3424   12.320   0.2663 -0.4985000 0.4338000 
1 1 1  -55   13   18 o   7.0040   0.3356   7.1110   0.5253   6.8970   0.4178 0.2139000 0.6712000 
1 1 1  -55   13   19 o   3.0360   0.6366   2.5220   0.9881   3.5500   0.8030 -1.028000 1.273000 
1 1 1  -55   13   20 o   2.7860   0.6799   3.1240   1.0030   2.4470   0.9181 0.6777000 1.360000 
1 1 1  -55   13   21 o   2.8070   0.6923   2.9280   1.0120   2.6850   0.9449 0.2432000 1.385000 
1 1 1  -55   13   22 o   2.5120   0.7735   2.3410   0.9887   2.6830   1.1900 -0.3415000 1.547000 
1 1 1  -55   15    1 o   4.4200   0.5655   4.9410   0.7374   3.8990   0.8576 1.042000 1.131000 
1 1 1  -55   15    2 o   4.3310   0.5726   3.8290   0.9035   4.8330   0.7037 -1.005000 1.145000 
1 1 1  -55   15    3 o   3.0900   0.6679   2.6810   0.9716   3.4990   0.9166 -0.8175000 1.336000 
1 1 1  -55   15    4 o   3.8550   0.5876   3.5490   0.9316   4.1610   0.7165 -0.6115000 1.175000 
1 1 1  -55   15    5 o   3.4960   0.5694   2.4390   0.9390   4.5540   0.6443 -2.115000 1.139000 
1 1 1  -55   15    6 o   5.8910   0.3852   5.4670   0.6149   6.3160   0.4641 -0.8490000 0.7704000 
1 1 1  -55   15    7 o   5.3760   0.5306   4.6900   0.9484   6.0610   0.4762 -1.371000 1.061000 
1 1 1  -55   15    8 o   4.5430   0.5709   4.7540   0.9266   4.3320   0.6672 0.4215000 1.142000 
1 1 1  -55   15    9 o   7.3950   0.3224   7.2210   0.5136   7.5690   0.3897 -0.3474000 0.6447000 
1 1 1  -55   15   10 o   3.8590   0.5858   4.3340   0.8422   3.3840   0.8144 0.9500000 1.172000 
1 1 1  -55   15   11 f   2.5680   0.6681   2.7580   1.0130   2.3790   0.8712 0.3787000 1.336000 
1 1 1  -55   15   12 o   2.5450   0.6734   2.7290   1.0200   2.3600   0.8792 0.3692000 1.347000 
1 1 1  -55   15   13 o   7.4190   0.3418   6.7330   0.5704   8.1050   0.3766 -1.373000 0.6835000 
1 1 1  -55   15   14 o   7.8770   0.3546   7.6320   0.6050   8.1220   0.3700 -0.4897000 0.7092000 
1 1 1  -55   15   15 o   3.0510   0.7195   3.5190   1.1030   2.5820   0.9235 0.9369000 1.439000 
1 1 1  -55   15   16 o   7.6040   0.3753   7.1990   0.6296   8.0090   0.4088 -0.8103000 0.7507000 
1 1 1  -55   15   17 o   5.5460   0.5305   5.0380   0.9149   6.0530   0.5373 -1.015000 1.061000 
1 1 1  -55   15   18 f   3.6360   0.6491   3.5980   1.0030   3.6740   0.8243 -0.7644000E-01 1.298000 
1 1 1  -55   15   19 o   1.8690   0.5868   1.6540   0.7906   2.0850   0.8675 -0.4315000 1.174000 
1 1 1  -55   15   20 o   3.0900   0.8102   2.9390   1.1390   3.2410   1.1520 -0.3020000 1.620000 
1 1 1  -55   17    1 o   5.5900   0.4912   6.5950   0.6126   4.5860   0.7680 2.009000 0.9824000 
1 1 1  -55   17    2 o   4.1600   0.6111   3.6300   1.0010   4.6890   0.7014 -1.059000 1.222000 
1 1 1  -55   17    3 o   2.9250   0.6921   3.0600   1.0100   2.7900   0.9470 0.2703000 1.384000 
1 1 1  -55   17    4 o   6.2350   0.4203   5.5690   0.6901   6.9000   0.4799 -1.332000 0.8406000 
1 1 1  -55   17    5 o   3.7550   0.6362   4.0060   0.9092   3.5040   0.8901 0.5022000 1.272000 
1 1 1  -55   17    6 o   2.2030   0.6433   2.5180   0.9771   1.8870   0.8369 0.6308000 1.287000 
1 1 1  -55   17    7 o   2.5060   0.7042   2.5080   1.0590   2.5050   0.9283 0.2514000E-02 1.408000 
1 1 1  -55   17    8 o   3.5520   0.6269   2.7210   1.0270   4.3840   0.7192 -1.663000 1.254000 
1 1 1  -55   17    9 o   4.7530   0.5491   4.4290   0.9091   5.0770   0.6161 -0.6486000 1.098000 
1 1 1  -55   17   10 o   9.7280   0.2859   9.8860   0.4425   9.5710   0.3619 0.3144000 0.5717000 
1 1 1  -55   17   11 o   6.5410   0.4166   6.0490   0.6886   7.0330   0.4690 -0.9835000 0.8331000 
1 1 1  -55   17   12 o   5.2930   0.5343   4.5020   0.9329   6.0840   0.5213 -1.582000 1.069000 
1 1 1  -55   17   13 o   3.8540   0.6575   3.5890   1.0410   4.1180   0.8037 -0.5294000 1.315000 
1 1 1  -55   17   14 o   8.5790   0.3311   8.2920   0.5315   8.8660   0.3950 -0.5744000 0.6622000 
1 1 1  -55   17   15 o   2.3270   0.6649   2.6830   1.0220   1.9710   0.8503 0.7127000 1.330000 
1 1 1  -55   17   16 o   4.5250   0.5786   4.2090   0.9432   4.8400   0.6703 -0.6303000 1.157000 
1 1 1  -55   17   17 o   6.6310   0.3973   6.2780   0.6359   6.9830   0.4765 -0.7050000 0.7947000 
1 1 1  -55   19    1 o   2.4830   0.7013   2.3670   0.9957   2.5980   0.9879 -0.2312000 1.403000 
1 1 1  -55   19    2 o   2.2560   0.7110   2.1700   1.0030   2.3420   1.0080 -0.1719000 1.422000 
1 1 1  -55   19    3 o   5.5280   0.6426   6.3400   0.8439   4.7160   0.9694 1.625000 1.285000 
1 1 1  -55   19    4 o   3.6040   0.7503   3.4230   1.0500   3.7860   1.0730 -0.3630000 1.501000 
1 1 1  -55   19    5 o   3.1090   0.7069   3.0580   1.0430   3.1600   0.9543 -0.1017000 1.414000 
1 1 1  -55   19    6 o   2.0610   0.5919   1.4020   0.6972   2.7190   0.9566 -1.317000 1.184000 
1 1 1  -55   19    7 o   2.6760   0.6938   2.7050   1.0130   2.6470   0.9485 0.5820000E-01 1.388000 
1 1 1  -55   19    8 o   3.6390   0.6958   3.5690   1.0840   3.7100   0.8728 -0.1408000 1.392000 
1 1 1  -55   19    9 o   2.2750   0.6597   2.0890   0.9356   2.4620   0.9303 -0.3733000 1.319000 
1 1 1  -55   19   10 o   3.3380   0.7029   3.0030   1.0880   3.6720   0.8899 -0.6688000 1.406000 
1 1 1  -55   19   11 o   8.6590   0.3346   8.0470   0.5459   9.2710   0.3872 -1.224000 0.6693000 
1 1 1  -55   19   12 o   2.5120   0.6513   3.4060   1.0570   1.6180   0.7619 1.788000 1.303000 
1 1 1  -55   19   13 o   2.4160   0.6755   2.1880   0.9636   2.6450   0.9469 -0.4568000 1.351000 
1 1 1  -54    0    1 o   3.0950   0.9175   3.0950   0.9175   3.0950   0.9175 -0.000000 0.000000 
1 1 1  -54    0    2 f   11.690   0.2410   11.690   0.2410   11.690   0.2410 -0.000000 0.000000 
1 1 1  -54    0    3 o   11.100   0.1979   11.100   0.1979   11.100   0.1979 -0.000000 0.000000 
1 1 1  -54    0    4 o   1.2720   0.7478   1.2720   0.7478   1.2720   0.7478 -0.000000 0.000000 
1 1 1  -54    0    5 o   1.1010   0.7112   1.1010   0.7112   1.1010   0.7112 -0.000000 0.000000 
1 1 1  -54    0    6 o   2.2410   0.6659   2.2410   0.6659   2.2410   0.6659 -0.000000 0.000000 
1 1 1  -54    0    7 o   5.2090   0.3816   5.2090   0.3816   5.2090   0.3816 -0.000000 0.000000 
1 1 1  -54    0   12 o   13.960   0.2653   13.960   0.2653   13.960   0.2653 -0.000000 0.000000 
1 1 1  -54    0   13 o   11.870   0.1727   11.870   0.1727   11.870   0.1727 -0.000000 0.000000 
1 1 1  -54    0   14 o   16.830   0.2372   16.830   0.2372   16.830   0.2372 -0.000000 0.000000 
1 1 1  -54    0   15 o   1.2320   0.7365   1.2320   0.7365   1.2320   0.7365 -0.000000 0.000000 
1 1 1  -54    0   16 o   8.9080   0.2227   8.9080   0.2227   8.9080   0.2227 -0.000000 0.000000 
1 1 1  -54    0   17 o   1.6320   0.8692   1.6320   0.8692   1.6320   0.8692 -0.000000 0.000000 
1 1 1  -54    0   18 o   9.0830   0.3529   9.0830   0.3529   9.0830   0.3529 -0.000000 0.000000 
1 1 1  -54    0   19 o   18.710   0.2035   18.710   0.2035   18.710   0.2035 -0.000000 0.000000 
1 1 1  -54    0   20 o   1.6040   0.9025   1.6040   0.9025   1.6040   0.9025 -0.000000 0.000000 
1 1 1  -54    0   21 o   8.6920   0.2978   8.6920   0.2978   8.6920   0.2978 -0.000000 0.000000 
1 1 1  -54    0   22 o   1.8490   0.9767   1.8490   0.9767   1.8490   0.9767 -0.000000 0.000000 
1 1 1  -54    0   23 o   8.4880   0.3749   8.4880   0.3749   8.4880   0.3749 -0.000000 0.000000 
1 1 1  -54    0   24 o   4.5100   0.7204   4.5100   0.7204   4.5100   0.7204 -0.000000 0.000000 
1 1 1  -54    0   25 o   6.3190   0.5090   6.3190   0.5090   6.3190   0.5090 -0.000000 0.000000 
1 1 1  -54    0   26 o   8.8010   0.4994   8.8010   0.4994   8.8010   0.4994 -0.000000 0.000000 
1 1 1  -54    0   27 o   4.3910   0.8677   4.3910   0.8677   4.3910   0.8677 -0.000000 0.000000 
1 1 1  -54    2    1 o   5.8640   0.3942   5.0840   0.6037   6.6450   0.5069 -1.561000 0.7883000 
1 1 1  -54    2    2 o   8.2140   0.2355   8.2670   0.3553   8.1620   0.3091 0.1050000 0.4709000 
1 1 1  -54    2    3 o   4.4100   0.4006   3.5560   0.7172   5.2640   0.3571 -1.708000 0.8012000 
1 1 1  -54    2    4 o   6.2750   0.1917   6.4560   0.2723   6.0940   0.2697 0.3623000 0.3833000 
1 1 1  -54    2    5 o   5.1200   0.4685   4.8540   0.8946   5.3860   0.2785 -0.5315000 0.9370000 
1 1 1  -54    2    6 o   9.8020   0.2673   10.100   0.4446   9.5010   0.2970 0.6022000 0.5346000 
1 1 1  -54    2    7 o   3.1690   0.6371   3.0080   1.0460   3.3290   0.7274 -0.3207000 1.274000 
1 1 1  -54    2    8 o   4.9030   0.5216   4.8490   0.7532   4.9570   0.7217 -0.1077000 1.043000 
1 1 1  -54    2    9 o   9.9990   0.2842   10.310   0.3637   9.6890   0.4369 0.6195000 0.5685000 
1 1 1  -54    2   10 o   5.7440   0.4424   4.9300   0.6686   6.5590   0.5794 -1.628000 0.8847000 
1 1 1  -54    2   11 o   7.9050   0.2708   7.6910   0.4520   8.1200   0.2982 -0.4293000 0.5415000 
1 1 1  -54    2   12 o   11.330   0.1818   11.380   0.2531   11.290   0.2610 0.8736000E-01 0.3636000 
1 1 1  -54    2   13 o   11.930   0.2615  ?   ?    11.930   0.2615      ?      ? 
1 1 1  -54    2   14 o   15.020   0.1816   14.820   0.2543   15.220   0.2593 -0.3998000 0.3632000 
1 1 1  -54    2   15 o   17.810   0.1343   17.910   0.1743   17.710   0.2043 0.2053000 0.2686000 
1 1 1  -54    2   16 o   3.2050   0.4379   3.3550   0.5597   3.0560   0.6737 0.2996000 0.8758000 
1 1 1  -54    2   17 o   16.160   0.1684   16.200   0.2193   16.110   0.2557 0.9345000E-01 0.3369000 
1 1 1  -54    2   18 o   5.7320   0.2855   5.5880   0.3860   5.8770   0.4208 -0.2890000 0.5710000 
1 1 1  -54    2   19 o   9.8750   0.2436   10.380   0.2833   9.3720   0.3964 1.006000 0.4872000 
1 1 1  -54    2   20 o   15.310   0.1632   15.580   0.2153   15.030   0.2454 0.5480000 0.3265000 
1 1 1  -54    2   21 o   5.4910   0.3343   5.6970   0.4342   5.2860   0.5085 0.4107000 0.6687000 
1 1 1  -54    2   22 o   7.9980   0.2474   7.8570   0.3348   8.1380   0.3644 -0.2806000 0.4948000 
1 1 1  -54    2   23 o   2.2440   0.6025   1.9240   0.8029   2.5630   0.8984 -0.6392000 1.205000 
1 1 1  -54    2   24 o   12.250   0.2045   12.420   0.2710   12.080   0.3062 0.3403000 0.4089000 
1 1 1  -54    2   25 o   3.5310   0.6829   3.1430   0.9395   3.9200   0.9913 -0.7769000 1.366000 
1 1 1  -54    2   26 o   5.0020   0.4623   4.7650   0.6366   5.2400   0.6706 -0.4750000 0.9247000 
1 1 1  -54    2   27 o   1.5840   0.5321   1.9950   0.8839   1.1730   0.5928 0.8219000 1.064000 
1 1 1  -54    4    1 o   10.030   0.2227   9.7910   0.3568   10.280   0.2666 -0.4858000 0.4454000 
1 1 1  -54    4    2 o   4.7630   0.3841   4.9540   0.5858   4.5720   0.4968 0.3815000 0.7681000 
1 1 1  -54    4    3 o   7.1000   0.2549   7.1540   0.3655   7.0450   0.3555 0.1085000 0.5098000 
1 1 1  -54    4    4 o   2.4970   0.5210   1.9820   0.7246   3.0110   0.7488 -1.029000 1.042000 
1 1 1  -54    4    5 o   8.3040   0.4224   8.0410   0.6325   8.5660   0.5600 -0.5249000 0.8447000 
1 1 1  -54    4    6 o   2.0600   0.6508   2.1470   0.9724   1.9720   0.8653 0.1747000 1.302000 
1 1 1  -54    4    7 o   7.2370   0.3985   7.0160   0.6517   7.4580   0.4587 -0.4416000 0.7970000 
1 1 1  -54    4    8 o   12.860   0.2699   12.460   0.4507   13.260   0.2969 -0.8087000 0.5397000 
1 1 1  -54    4    9 o   7.2280   0.3943   6.7960   0.6687   7.6590   0.4179 -0.8628000 0.7885000 
1 1 1  -54    4   10 o   2.6850   0.6891   3.3340   1.0820   2.0370   0.8530 1.297000 1.378000 
1 1 1  -54    4   11 o   17.510   0.1950   17.700   0.2719   17.320   0.2797 0.3769000 0.3901000 
1 1 1  -54    4   12 o   16.120   0.1964   16.230   0.2739   16.010   0.2815 0.2241000 0.3928000 
1 1 1  -54    4   13 o   2.7850   0.6778   3.6420   1.0710   1.9270   0.8304 1.716000 1.356000 
1 1 1  -54    4   14 o   5.3370   0.5610   5.0070   0.8815   5.6660   0.6942 -0.6591000 1.122000 
1 1 1  -54    4   15 f   11.300   0.2326   11.380   0.2121   11.210   0.4139 0.1658000 0.4651000 
1 1 1  -54    4   16 o   7.8920   0.2041   8.1100   0.2947   7.6740   0.2824 0.4360000 0.4082000 
1 1 1  -54    4   17 o   11.010   0.1658   11.140   0.2227   10.880   0.2458 0.2631000 0.3317000 
1 1 1  -54    4   18 o   4.2830   0.3943   3.8220   0.6083   4.7430   0.5020 -0.9207000 0.7887000 
1 1 1  -54    4   19 o   2.5730   0.5952   2.8920   0.8634   2.2550   0.8194 0.6370000 1.190000 
1 1 1  -54    4   20 o   19.330   0.2029   19.230   0.2501   19.420   0.3197 -0.1891000 0.4059000 
1 1 1  -54    4   21 o   6.2500   0.3081   6.3440   0.4042   6.1570   0.4652 0.1870000 0.6163000 
1 1 1  -54    4   22 o   2.2390   0.5928   1.7990   0.7719   2.6790   0.8998 -0.8801000 1.186000 
1 1 1  -54    4   23 o   7.4950   0.2895   7.3710   0.3878   7.6200   0.4300 -0.2491000 0.5790000 
1 1 1  -54    4   24 o   5.3260   0.4929   5.2320   0.6340   5.4190   0.7548 -0.1876000 0.9857000 
1 1 1  -54    4   25 o   6.2080   0.3692   6.1400   0.4995   6.2770   0.5440 -0.1378000 0.7385000 
1 1 1  -54    4   26 o   1.8030   0.5683   1.3760   0.6686   2.2310   0.9190 -0.8546000 1.137000 
1 1 1  -54    4   27 o   2.0190   0.9940   2.0190   0.9940  ?   ?       ?      ? 
1 1 1  -54    6    1 o   3.9010   0.5362   4.0100   0.8456   3.7930   0.6595 0.2169000 1.072000 
1 1 1  -54    6    2 o   6.4450   0.3123   5.9290   0.5235   6.9600   0.3407 -1.031000 0.6246000 
1 1 1  -54    6    3 o   5.7070   0.3127   5.5180   0.5036   5.8960   0.3710 -0.3776000 0.6255000 
1 1 1  -54    6    4 o   10.600   0.1682   10.810   0.2652   10.400   0.2069 0.4086000 0.3364000 
1 1 1  -54    6    5 o   10.980   0.3519   10.560   0.5743   11.400   0.4068 -0.8454000 0.7038000 
1 1 1  -54    6    6 o   10.160   0.3523   10.420   0.5667   9.9120   0.4188 0.5036000 0.7046000 
1 1 1  -54    6    7 o   6.3360   0.5463   5.4110   0.9659   7.2600   0.5109 -1.848000 1.093000 
1 1 1  -54    6    8 o   2.5640   0.7198   2.3690   1.0430   2.7590   0.9926 -0.3895000 1.440000 
1 1 1  -54    6    9 o   16.050   0.2811   16.000   0.4703   16.090   0.3082 -0.9674000E-01 0.5622000 
1 1 1  -54    6   10 o   8.0780   0.3991   8.6540   0.6283   7.5020   0.4923 1.152000 0.7982000 
1 1 1  -54    6   11 o   13.380   0.2287   13.120   0.3237   13.640   0.3231 -0.5168000 0.4574000 
1 1 1  -54    6   12 o   13.030   0.2329   13.180   0.3268   12.880   0.3319 0.2908000 0.4658000 
1 1 1  -54    6   13 o   3.0930   0.6637   3.6640   0.9222   2.5230   0.9548 1.142000 1.327000 
1 1 1  -54    6   14 o   8.2060   0.4299  ?   ?    8.2060   0.4299      ?      ? 
1 1 1  -54    6   15 o   17.970   0.1420   17.930   0.1803   18.010   0.2194 -0.7770000E-01 0.2840000 
1 1 1  -54    6   16 o   9.4500   0.1924   9.4420   0.2814   9.4580   0.2625 -0.1550000E-01 0.3848000 
1 1 1  -54    6   17 o   4.8860   0.3360   4.3600   0.5112   5.4120   0.4360 -1.051000 0.6719000 
1 1 1  -54    6   18 o   8.9020   0.2098   9.2250   0.2769   8.5790   0.3152 0.6458000 0.4195000 
1 1 1  -54    6   19 o   17.730   0.1966   17.980   0.2163   17.480   0.3284 0.4998000 0.3932000 
1 1 1  -54    6   20 o   5.3180   0.3915   5.4630   0.5740   5.1730   0.5326 0.2899000 0.7830000 
1 1 1  -54    6   21 o   5.8620   0.3466   5.5490   0.5047   6.1750   0.4750 -0.6261000 0.6931000 
1 1 1  -54    6   22 o   6.5740   0.3505   6.7470   0.4947   6.4000   0.4967 0.3462000 0.7010000 
1 1 1  -54    6   23 o   8.5400   0.3320   7.9210   0.4603   9.1590   0.4786 -1.238000 0.6640000 
1 1 1  -54    6   24 o   1.6530   0.5440   1.5360   0.7256   1.7690   0.8106 -0.2329000 1.088000 
1 1 1  -54    6   25 f   5.0970   0.4587   4.8430   0.6447   5.3520   0.6527 -0.5091000 0.9175000 
1 1 1  -54    6   26 o   4.0440   0.5800   4.0520   0.8079   4.0360   0.8325 0.1653000E-01 1.160000 
1 1 1  -54    8    1 o   12.990   0.1794   13.090   0.2587   12.880   0.2487 0.2018000 0.3588000 
1 1 1  -54    8    2 o   6.5330   0.2776   6.6920   0.3897   6.3730   0.3954 0.3183000 0.5551000 
1 1 1  -54    8    3 o   8.9650   0.1974   9.1480   0.2816   8.7820   0.2767 0.3660000 0.3948000 
1 1 1  -54    8    4 o   6.3010   0.2925   6.0650   0.4840   6.5370   0.3284 -0.4728000 0.5849000 
1 1 1  -54    8    5 o   5.5170   0.3328   5.3000   0.4753   5.7340   0.4660 -0.4340000 0.6656000 
1 1 1  -54    8    6 o   5.0950   0.6125   4.7730   1.1690   5.4170   0.3656 -0.6440000 1.225000 
1 1 1  -54    8    7 o   5.0450   0.7095   5.4920   1.0740   4.5980   0.9277 0.8932000 1.419000 
1 1 1  -54    8    8 o   4.7070   0.7177   4.6250   1.1470   4.7900   0.8627 -0.1648000 1.435000 
1 1 1  -54    8    9 o   7.1580   0.5037   6.9740   0.8414   7.3410   0.5539 -0.3670000 1.007000 
1 1 1  -54    8   10 o   7.5260   0.3854   7.5230   0.5491   7.5290   0.5408 -0.6457000E-02 0.7707000 
1 1 1  -54    8   11 o   11.150   0.2795   11.150   0.3903   11.140   0.4001 0.1159000E-01 0.5590000 
1 1 1  -54    8   12 f   7.7740   0.3687   8.1450   0.4956   7.4040   0.5460 0.7406000 0.7374000 
1 1 1  -54    8   13 o   13.710   0.2072   13.810   0.3564   13.600   0.2114 0.2092000 0.4144000 
1 1 1  -54    8   14 f   3.1910   0.5837   3.0550   0.5667   3.3270   1.0210 -0.2717000 1.167000 
1 1 1  -54    8   15 o   5.8240   0.2669   6.2830   0.4146   5.3660   0.3363 0.9176000 0.5338000 
1 1 1  -54    8   16 o   4.5340   0.3242   4.6600   0.4742   4.4070   0.4423 0.2531000 0.6484000 
1 1 1  -54    8   17 o   8.3870   0.1971   8.2700   0.2965   8.5040   0.2597 -0.2340000 0.3941000 
1 1 1  -54    8   18 o   3.2690   0.5439   3.2570   0.7515   3.2820   0.7865 -0.2412000E-01 1.088000 
1 1 1  -54    8   19 o   5.4250   0.4727   5.1170   0.6267   5.7330   0.7079 -0.6166000 0.9454000 
1 1 1  -54    8   20 o   9.6590   0.2654   9.5790   0.3425   9.7380   0.4055 -0.1589000 0.5308000 
1 1 1  -54    8   21 o   5.0000   0.5093   5.5330   0.5734   4.4670   0.8419 1.066000 1.019000 
1 1 1  -54    8   22 o   2.7650   0.5915   1.9340   0.8257   3.5960   0.8470 -1.662000 1.183000 
1 1 1  -54    8   23 f   4.5730   0.5075   4.2450   0.7460   4.9000   0.6884 -0.6544000 1.015000 
1 1 1  -54    8   24 o   4.9770   0.4677   4.9260   0.6423   5.0290   0.6802 -0.1032000 0.9355000 
1 1 1  -54    8   25 o   6.4510   0.3830   6.6760   0.5144   6.2260   0.5674 0.4499000 0.7659000 
1 1 1  -54   10    1 o   1.7790   0.5883   1.9670   0.9166   1.5910   0.7379 0.3760000 1.177000 
1 1 1  -54   10    2 o   2.3000   0.6419   2.8630   1.0160   1.7360   0.7847 1.127000 1.284000 
1 1 1  -54   10    3 o   5.4210   0.3726   5.5990   0.4893   5.2420   0.5622 0.3571000 0.7453000 
1 1 1  -54   10    4 o   6.7870   0.2599   7.1910   0.3634   6.3830   0.3717 0.8084000 0.5198000 
1 1 1  -54   10    5 f   4.1820   0.4050   3.6900   0.6563   4.6740   0.4748 -0.9839000 0.8100000 
1 1 1  -54   10    6 f   12.130   0.1895   12.230   0.3087   12.040   0.2199 0.1899000 0.3790000 
1 1 1  -54   10    7 o   7.0240   0.5056   7.2040   0.9677   6.8450   0.2933 0.3587000 1.011000 
1 1 1  -54   10    8 o   3.4840   0.7658   4.5310   1.2600   2.4370   0.8710 2.095000 1.532000 
1 1 1  -54   10    9 o   12.100   0.1802   12.050   0.2365   12.150   0.2718 -0.9650000E-01 0.3603000 
1 1 1  -54   10   10 o   4.6310   0.3705   5.0730   0.4401   4.1890   0.5961 0.8843000 0.7410000 
1 1 1  -54   10   11 o   8.5750   0.2935   8.9220   0.4934   8.2290   0.3182 0.6931000 0.5871000 
1 1 1  -54   10   12 o   3.6120   0.6202   3.1210   1.0670   4.1040   0.6322 -0.9839000 1.240000 
1 1 1  -54   10   13 o   7.9050   0.2228   7.7090   0.3623   8.1010   0.2594 -0.3918000 0.4456000 
1 1 1  -54   10   14 o   7.4670   0.2110   7.5890   0.3038   7.3450   0.2930 0.2441000 0.4221000 
1 1 1  -54   10   15 o   17.070   0.1484   16.880   0.2119   17.270   0.2079 -0.3905000 0.2969000 
1 1 1  -54   10   16 o   7.6740   0.2263   7.4560   0.3361   7.8920   0.3031 -0.4362000 0.4526000 
1 1 1  -54   10   17 o   5.3580   0.3608   5.7960   0.4774   4.9200   0.5412 0.8760000 0.7216000 
1 1 1  -54   10   18 o   3.3490   0.6922   3.6750   0.9639   3.0220   0.9938 0.6526000 1.384000 
1 1 1  -54   10   19 o   6.2080   0.3377   6.3160   0.4490   6.1000   0.5044 0.2160000 0.6753000 
1 1 1  -54   10   20 o   4.1340   0.5236   4.6450   0.6252   3.6240   0.8402 1.021000 1.047000 
1 1 1  -54   10   21 o   2.4500   0.6396   2.1870   0.8720   2.7130   0.9359 -0.5257000 1.279000 
1 1 1  -54   10   22 o   3.4210   0.6212   3.9990   0.8014   2.8440   0.9494 1.155000 1.242000 
1 1 1  -54   10   23 o   8.6760   0.2839   8.2940   0.4086   9.0570   0.3942 -0.7630000 0.5677000 
1 1 1  -54   10   24 o   2.7990   1.0230   2.7990   1.0230  ?   ?       ?      ? 
1 1 1  -54   12    1 o   10.140   0.2345   9.7210   0.3548   10.560   0.3068 -0.8370000 0.4690000 
1 1 1  -54   12    2 o   2.3380   0.5947   2.9660   0.9122   1.7110   0.7632 1.255000 1.189000 
1 1 1  -54   12    3 o   4.5270   0.5388   4.4820   0.9042   4.5730   0.5862 -0.9158000E-01 1.078000 
1 1 1  -54   12    4 o   9.7500   0.3020   9.3470   0.4641   10.150   0.3865 -0.8059000 0.6040000 
1 1 1  -54   12    5 o   1.7530   0.5448   2.2020   0.8854   1.3030   0.6352 0.8993000 1.090000 
1 1 1  -54   12    6 o   3.6130   0.5582   4.2830   0.7221   2.9440   0.8514 1.340000 1.116000 
1 1 1  -54   12    7 o   3.4250   0.6602   4.0780   1.0160   2.7720   0.8437 1.306000 1.320000 
1 1 1  -54   12    8 o   6.4970   0.3765   6.8160   0.6212   6.1770   0.4258 0.6391000 0.7531000 
1 1 1  -54   12    9 o   6.3530   0.3443   6.0630   0.5618   6.6420   0.3980 -0.5791000 0.6885000 
1 1 1  -54   12   10 o   9.2080   0.2557   9.3450   0.4031   9.0710   0.3148 0.2744000 0.5114000 
1 1 1  -54   12   11 o   11.930   0.2150   11.550   0.3454   12.310   0.2561 -0.7593000 0.4300000 
1 1 1  -54   12   12 o   3.5590   0.5992   3.5280   0.9543   3.5890   0.7250 -0.6107000E-01 1.198000 
1 1 1  -54   12   13 o   12.620   0.2179   12.570   0.3496   12.660   0.2601 -0.9649000E-01 0.4358000 
1 1 1  -54   12   14 o   3.2910   0.5779   3.3050   0.8935   3.2770   0.7331 0.2787000E-01 1.156000 
1 1 1  -54   12   15 o   3.9550   0.5617   4.5110   0.7227   3.3980   0.8601 1.113000 1.123000 
1 1 1  -54   12   16 o   12.420   0.2192   12.080   0.3232   12.760   0.2961 -0.6871000 0.4383000 
1 1 1  -54   12   17 o   2.6440   0.6240   2.3740   0.9323   2.9150   0.8297 -0.5412000 1.248000 
1 1 1  -54   12   18 o   7.6720   0.2658   7.4720   0.3960   7.8730   0.3546 -0.4004000 0.5316000 
1 1 1  -54   12   19 o   8.9940   0.2407   8.9880   0.3537   9.0000   0.3267 -0.1185000E-01 0.4814000 
1 1 1  -54   12   20 o   7.9480   0.2781   7.5220   0.4253   8.3730   0.3583 -0.8514000 0.5561000 
1 1 1  -54   12   21 o   2.1470   0.6411   1.8900   0.8600   2.4050   0.9512 -0.5150000 1.282000 
1 1 1  -54   12   22 o   9.1110   0.3200   9.4750   0.4194   8.7460   0.4835 0.7291000 0.6400000 
1 1 1  -54   12   23 o   2.6290   0.6455   1.9950   0.8654   3.2640   0.9581 -1.268000 1.291000 
1 1 1  -54   14    1 o   2.8710   0.6013   3.9640   0.8951   1.7780   0.8032 2.187000 1.203000 
1 1 1  -54   14    2 o   1.9470   0.5964   2.0130   0.8679   1.8810   0.8183 0.1321000 1.193000 
1 1 1  -54   14    3 f   3.8570   0.5713   3.8340   0.8459   3.8790   0.7681 -0.4461000E-01 1.143000 
1 1 1  -54   14    4 o   2.4510   0.6337   2.2370   0.8996   2.6650   0.8928 -0.4274000 1.267000 
1 1 1  -54   14    5 o   10.130   0.2310   10.510   0.3384   9.7640   0.3146 0.7428000 0.4621000 
1 1 1  -54   14    6 o   5.9970   0.3528   6.0830   0.5308   5.9110   0.4650 0.1719000 0.7057000 
1 1 1  -54   14    7 o   2.5530   0.6665   3.2610   1.0720   1.8460   0.7920 1.415000 1.333000 
1 1 1  -54   14    8 o   3.2200   0.6643   3.1060   1.0720   3.3340   0.7840 -0.2283000 1.329000 
1 1 1  -54   14    9 o   6.0940   0.3866   6.0790   0.5760   6.1100   0.5156 -0.3120000E-01 0.7731000 
1 1 1  -54   14   10 o   6.0050   0.3899   5.8990   0.5795   6.1110   0.5217 -0.2123000 0.7797000 
1 1 1  -54   14   11 o   1.9840   0.6102   1.9590   0.8728   2.0080   0.8530 -0.4989000E-01 1.220000 
1 1 1  -54   14   12 o   4.8320   0.4630   5.2890   0.6704   4.3750   0.6388 0.9137000 0.9260000 
1 1 1  -54   14   13 o   9.6850   0.2457   9.6400   0.3885   9.7290   0.3009 -0.8948000E-01 0.4914000 
1 1 1  -54   14   14 o   8.6680   0.2709   8.6770   0.4234   8.6590   0.3382 0.1798000E-01 0.5419000 
1 1 1  -54   14   15 o   5.8100   0.3868   5.9960   0.5913   5.6240   0.4988 0.3721000 0.7736000 
1 1 1  -54   14   16 o   2.6410   0.6250   2.1190   0.9072   3.1620   0.8599 -1.043000 1.250000 
1 1 1  -54   14   17 o   6.3100   0.3742   6.7360   0.5591   5.8840   0.4974 0.8516000 0.7484000 
1 1 1  -54   14   18 o   8.3630   0.3635   7.8940   0.6140   8.8320   0.3891 -0.9384000 0.7269000 
1 1 1  -54   14   19 o   9.2070   0.3517   8.7230   0.5953   9.6910   0.3746 -0.9676000 0.7034000 
1 1 1  -54   14   20 o   7.0940   0.3664   6.6720   0.5976   7.5160   0.4239 -0.8443000 0.7327000 
1 1 1  -54   14   21 o   11.580   0.2465   11.310   0.3897   11.850   0.3021 -0.5378000 0.4931000 
1 1 1  -54   16    1 o   7.1170   0.3601   7.3680   0.5284   6.8660   0.4894 0.5024000 0.7202000 
1 1 1  -54   16    2 o   4.6590   0.5364   4.4820   0.8531   4.8360   0.6504 -0.3543000 1.073000 
1 1 1  -54   16    3 o   2.5690   0.6675   2.8050   0.9808   2.3340   0.9056 0.4713000 1.335000 
1 1 1  -54   16    4 o   3.0210   0.6710   2.6010   0.9788   3.4420   0.9180 -0.8412000 1.342000 
1 1 1  -54   16    5 o   1.5780   0.5307   1.7220   0.8025   1.4330   0.6947 0.2895000 1.061000 
1 1 1  -54   16    6 o   6.4480   0.3776   6.2090   0.5678   6.6860   0.4979 -0.4773000 0.7552000 
1 1 1  -54   16    7 o   2.6760   0.7217   2.8660   1.1020   2.4860   0.9319 0.3800000 1.443000 
1 1 1  -54   16    8 o   7.8250   0.3691   8.1330   0.5887   7.5170   0.4453 0.6157000 0.7381000 
1 1 1  -54   16    9 o   3.8760   0.6718   4.2720   1.0130   3.4810   0.8827 0.7913000 1.344000 
1 1 1  -54   16   10 o   10.210   0.3109   9.8330   0.5229   10.600   0.3365 -0.7639000 0.6218000 
1 1 1  -54   16   11 o   3.9260   0.6974   4.0430   1.1160   3.8100   0.8362 0.2326000 1.395000 
1 1 1  -54   16   12 o   2.6780   0.7110   2.6550   1.0740   2.7020   0.9323 -0.4778000E-01 1.422000 
1 1 1  -54   16   13 o   4.7500   0.6078   4.4100   1.0240   5.0900   0.6542 -0.6800000 1.216000 
1 1 1  -54   16   14 o   2.4000   0.6684   2.4530   0.9859   2.3470   0.9027 0.1053000 1.337000 
1 1 1  -54   16   15 o   2.3290   0.6601   2.6980   1.0180   1.9600   0.8411 0.7376000 1.320000 
1 1 1  -54   16   16 f   6.0510   0.4112   6.3810   0.6148   5.7200   0.5462 0.6609000 0.8224000 
1 1 1  -54   16   17 o   8.1290   0.3171   8.4420   0.4791   7.8150   0.4154 0.6270000 0.6341000 
1 1 1  -54   16   18 o   2.6390   0.6896   2.8840   1.0320   2.3940   0.9149 0.4892000 1.379000 
1 1 1  -54   16   19 o   10.780   0.2653   10.890   0.4076   10.670   0.3398 0.2126000 0.5307000 
1 1 1  -54   18    1 o   3.6690   0.8020   3.4320   1.1900   3.9060   1.0760 -0.4735000 1.604000 
1 1 1  -54   18    2 o   2.8480   0.7191   3.0610   1.0650   2.6360   0.9668 0.4253000 1.438000 
1 1 1  -54   18    3 o   2.8980   0.6999   3.3480   1.0350   2.4470   0.9428 0.9008000 1.400000 
1 1 1  -54   18    4 o   2.3090   0.6527   2.0030   0.8971   2.6160   0.9482 -0.6132000 1.305000 
1 1 1  -54   18    5 o   1.6560   0.5519   1.6320   0.7803   1.6800   0.7807 -0.4777000E-01 1.104000 
1 1 1  -54   18    6 f   2.4260   0.6612   2.1610   0.9282   2.6910   0.9419 -0.5299000 1.322000 
1 1 1  -54   18    7 o   1.7210   0.5646   1.9070   0.8621   1.5350   0.7294 0.3714000 1.129000 
1 1 1  -54   18    8 o   4.6650   0.5616   5.0490   0.8332   4.2800   0.7531 0.7692000 1.123000 
1 1 1  -54   18    9 o   3.4180   0.6911   3.7910   1.0300   3.0450   0.9222 0.7463000 1.382000 
1 1 1  -54   18   10 o   1.9430   0.5965   1.5930   0.7780   2.2930   0.9045 -0.6994000 1.193000 
1 1 1  -54   18   11 o   3.3570   0.7037   3.3390   1.0710   3.3760   0.9138 -0.3722000E-01 1.407000 
1 1 1  -54   18   12 o   4.5600   0.6064   3.6850   1.0550   5.4350   0.5988 -1.750000 1.213000 
1 1 1  -54   18   13 o   5.3270   0.5190   4.8860   0.8715   5.7690   0.5640 -0.8830000 1.038000 
1 1 1  -54   18   14 o   3.0360   0.6917   2.7030   1.0340   3.3690   0.9184 -0.6660000 1.383000 
1 1 1  -54   18   15 o   6.3520   0.4329   5.9580   0.7063   6.7460   0.5007 -0.7883000 0.8658000 
1 1 1  -54   18   16 o   1.9320   0.5860   1.4380   0.7118   2.4250   0.9311 -0.9876000 1.172000 
1 1 1  -54   20    1 o   2.6440   0.7206   2.6510   1.0430   2.6380   0.9950 0.1259000E-01 1.441000 
1 1 1  -54   20    2 o   2.0170   0.6409   1.9760   0.9060   2.0580   0.9069 -0.8196000E-01 1.282000 
1 1 1  -54   20    3 o   1.9190   0.6236   2.0730   0.9383   1.7650   0.8218 0.3081000 1.247000 
1 1 1  -54   20    4 o   2.9460   0.7767   3.1700   1.1970   2.7220   0.9906 0.4489000 1.553000 
1 1 1  -54   20    5 o   2.2330   0.7090   2.2580   1.0290   2.2070   0.9759 0.5127000E-01 1.418000 
1 1 1  -54   20    6 o   3.1200   0.8104   3.1860   1.2020   3.0550   1.0880 0.1302000 1.621000 
1 1 1  -54   20    7 o   2.7300   0.7602   3.3710   1.1960   2.0890   0.9393 1.282000 1.520000 
1 1 1  -54   20    8 o   3.1170   0.7747   2.9780   1.0980   3.2560   1.0930 -0.2773000 1.549000 
1 1 1  -54   20    9 o   4.6160   0.6790   5.1760   0.8804   4.0570   1.0340 1.119000 1.358000 
1 1 1  -54   20   10 o   2.1930   0.6833   2.1880   0.9657   2.1980   0.9669 -0.9527000E-02 1.367000 
1 1 1  -54   20   11 o   2.4070   0.7088   2.3130   0.9744   2.5010   1.0300 -0.1884000 1.418000 
1 1 1  -54   20   12 o   1.9970   0.6798   1.7870   0.9063   2.2080   1.0140 -0.4219000 1.360000 
1 1 1  -53    1    1 o   7.1720   0.3162   6.6340   0.4648   7.7110   0.4287 -1.077000 0.6323000 
1 1 1  -53    1    2 o   2.2410   0.5625   2.4520   0.8074   2.0300   0.7834 0.4218000 1.125000 
1 1 1  -53    1    3 f   2.5410   0.4806   1.8260   0.7777   3.2570   0.5649 -1.431000 0.9612000 
1 1 1  -53    1    4 o   11.240   0.2093  ?   ?    11.240   0.2093      ?      ? 
1 1 1  -53    1    5 o   8.3370   0.1678   8.3000   0.2486   8.3740   0.2253 -0.7394000E-01 0.3355000 
1 1 1  -53    1    6 o   5.8440   0.5222  ?   ?    5.8440   0.5222      ?      ? 
1 1 1  -53    1    7 o   7.6990   0.2638  ?   ?    7.6990   0.2638      ?      ? 
1 1 1  -53    1    8 f   2.8870   0.5015   3.5750   0.7349   2.1990   0.6826 1.376000 1.003000 
1 1 1  -53    1    9 o   7.9090   0.2042   7.9640   0.3385   7.8540   0.2285 0.1103000 0.4084000 
1 1 1  -53    1   10 o   9.8630   0.1868   9.9460   0.3065   9.7790   0.2137 0.1668000 0.3736000 
1 1 1  -53    1   11 o   9.5420   0.2293  ?   ?    9.5420   0.2293      ?      ? 
1 1 1  -53    1   12 o   15.900   0.2336   15.710   0.3155   16.080   0.3447 -0.3688000 0.4673000 
1 1 1  -53    1   13 o   12.950   0.1685   13.090   0.2318   12.820   0.2447 0.2700000 0.3370000 
1 1 1  -53    1   14 o   11.730   0.1292   11.680   0.1674   11.780   0.1969 -0.9967000E-01 0.2584000 
1 1 1  -53    1   15 o   15.090   0.1431   14.920   0.2029   15.260   0.2019 -0.3425000 0.2863000 
1 1 1  -53    1   16 o   14.500   0.1391   14.570   0.1826   14.430   0.2099 0.1436000 0.2783000 
1 1 1  -53    1   17 o   14.010   0.1717   14.060   0.2252   13.970   0.2592 0.8501000E-01 0.3434000 
1 1 1  -53    1   18 o   14.850   0.1658   14.550   0.1994   15.160   0.2650 -0.6138000 0.3317000 
1 1 1  -53    1   19 o   13.330   0.1989   13.340   0.2472   13.320   0.3116 0.1556000E-01 0.3977000 
1 1 1  -53    1   20 o   8.5400   0.2196   8.4060   0.2959   8.6750   0.3244 -0.2691000 0.4391000 
1 1 1  -53    1   21 o   8.2660   0.2308   8.0880   0.3115   8.4430   0.3406 -0.3547000 0.4615000 
1 1 1  -53    1   22 o   6.6100   0.2917   6.4280   0.3977   6.7930   0.4269 -0.3649000 0.5834000 
1 1 1  -53    1   23 o   7.4800   0.2709   7.5310   0.3583   7.4300   0.4063 0.1012000 0.5417000 
1 1 1  -53    1   24 o   9.3870   0.2385   9.3930   0.3166   9.3800   0.3567 0.1250000E-01 0.4769000 
1 1 1  -53    1   25 o   9.4790   0.2608   9.8890   0.3602   9.0690   0.3771 0.8196000 0.5215000 
1 1 1  -53    1   26 o   6.7920   0.4389   7.1400   0.5773   6.4430   0.6613 0.6967000 0.8779000 
1 1 1  -53    1   27 o   2.6910   0.6707   2.7170   0.9284   2.6660   0.9682 0.5096000E-01 1.341000 
1 1 1  -53    3    1 o   3.6170   0.5795   3.7380   0.8329   3.4960   0.8059 0.2419000 1.159000 
1 1 1  -53    3    2 o   9.0590   0.2943  ?   ?    9.0590   0.2943      ?      ? 
1 1 1  -53    3    3 o   3.3650   0.5084   4.4220   0.5634   2.3090   0.8464 2.113000 1.017000 
1 1 1  -53    3    4 o   2.5560   0.4963   3.1540   0.6577   1.9590   0.7434 1.195000 0.9926000 
1 1 1  -53    3    5 o   5.8760   0.4605   6.2520   0.7369   5.5000   0.5525 0.7525000 0.9211000 
1 1 1  -53    3    6 o   5.7570   0.4544   6.1930   0.7164   5.3220   0.5591 0.8712000 0.9087000 
1 1 1  -53    3    7 o   9.1790   0.2960   9.5250   0.4677   8.8330   0.3630 0.6918000 0.5920000 
1 1 1  -53    3    8 o   13.090   0.4124   13.090   0.4124  ?   ?       ?      ? 
1 1 1  -53    3    9 o   18.160   0.2286   18.640   0.3754   17.680   0.2611 0.9664000 0.4573000 
1 1 1  -53    3   10 o   7.6750   0.3209   7.5500   0.5294   7.8000   0.3628 -0.2501000 0.6418000 
1 1 1  -53    3   11 o   14.330   0.1843   14.420   0.2537   14.240   0.2675 0.1800000 0.3686000 
1 1 1  -53    3   12 o   20.800   0.1938   20.550   0.2708   21.060   0.2774 -0.5022000 0.3877000 
1 1 1  -53    3   13 o   10.010   0.2220   9.8710   0.3124   10.140   0.3155 -0.2725000 0.4440000 
1 1 1  -53    3   14 o   3.9180   0.5279   3.2560   0.8452   4.5810   0.6328 -1.325000 1.056000 
1 1 1  -53    3   15 o   14.960   0.1503   15.000   0.1936   14.920   0.2300 0.8352000E-01 0.3006000 
1 1 1  -53    3   16 o   9.4380   0.1915   9.4590   0.2566   9.4170   0.2844 0.4190000E-01 0.3831000 
1 1 1  -53    3   17 o   10.160   0.1695   10.170   0.2272   10.140   0.2516 0.2661000E-01 0.3390000 
1 1 1  -53    3   18 o   9.1570   0.1945   9.1460   0.2640   9.1670   0.2857 -0.2040000E-01 0.3890000 
1 1 1  -53    3   19 o   2.8270   0.6165   3.2650   0.8025   2.3890   0.9362 0.8758000 1.233000 
1 1 1  -53    3   20 o   12.510   0.1786   12.690   0.2369   12.340   0.2673 0.3423000 0.3571000 
1 1 1  -53    3   21 o   15.240   0.1705   15.440   0.2257   15.040   0.2557 0.4042000 0.3411000 
1 1 1  -53    3   22 o   8.2580   0.2487   8.0990   0.3319   8.4160   0.3704 -0.3170000 0.4974000 
1 1 1  -53    3   23 o   8.2970   0.2653   8.0800   0.3588   8.5150   0.3910 -0.4349000 0.5307000 
1 1 1  -53    3   24 o   9.5950   0.2622   9.4480   0.3722   9.7430   0.3695 -0.2952000 0.5245000 
1 1 1  -53    3   25 o   3.0450   0.7048   2.4670   0.9415   3.6220   1.0490 -1.155000 1.410000 
1 1 1  -53    3   26 o   7.3990   0.3204   7.1020   0.4441   7.6970   0.4621 -0.5948000 0.6409000 
1 1 1  -53    3   27 o   13.930   0.2301   14.130   0.3296   13.730   0.3213 0.4015000 0.4603000 
1 1 1  -53    5    1 f   13.480   0.1912   13.330   0.3081   13.630   0.2266 -0.2953000 0.3825000 
1 1 1  -53    5    2 o   7.5250   0.2561   7.4520   0.4077   7.5980   0.3099 -0.1462000 0.5121000 
1 1 1  -53    5    3 o   3.2120   0.5684   3.1980   0.7972   3.2260   0.8106 -0.2778000E-01 1.137000 
1 1 1  -53    5    4 o   6.0100   0.2723   5.9140   0.3710   6.1060   0.3987 -0.1922000 0.5446000 
1 1 1  -53    5    5 o   8.0840   0.4550   8.1240   0.6682   8.0440   0.6177 0.7977000E-01 0.9099000 
1 1 1  -53    5    6 o   8.4030   0.4304   8.6980   0.6138   8.1070   0.6035 0.5907000 0.8608000 
1 1 1  -53    5    7 o   7.5880   0.4449   7.6330   0.6509   7.5430   0.6068 0.8927000E-01 0.8898000 
1 1 1  -53    5    8 o   8.7600   0.3945   8.6380   0.5840   8.8820   0.5306 -0.2439000 0.7890000 
1 1 1  -53    5    9 o   14.140   0.3032   14.480   0.4504   13.800   0.4060 0.6866000 0.6063000 
1 1 1  -53    5   10 o   20.580   0.2911   20.790   0.4208   20.370   0.4025 0.4223000 0.5822000 
1 1 1  -53    5   11 f   12.060   0.3117   11.890   0.4604   12.240   0.4202 -0.3444000 0.6234000 
1 1 1  -53    5   12 o   21.950   0.2973   21.790   0.4253   22.110   0.4157 -0.3223000 0.5947000 
1 1 1  -53    5   13 o   14.050   0.2144   14.140   0.2989   13.960   0.3075 0.1794000 0.4288000 
1 1 1  -53    5   14 o   16.510   0.2090   16.560   0.2917   16.460   0.2994 0.9843000E-01 0.4180000 
1 1 1  -53    5   15 o   10.720   0.1998   10.740   0.1905   10.700   0.3512 0.4336000E-01 0.3996000 
1 1 1  -53    5   16 o   3.7970   0.4291   3.7870   0.6489   3.8060   0.5617 -0.1952000E-01 0.8582000 
1 1 1  -53    5   17 o   4.5860   0.3407   4.3610   0.4893   4.8110   0.4741 -0.4499000 0.6813000 
1 1 1  -53    5   18 o   3.9180   0.4443   3.9790   0.5971   3.8580   0.6582 0.1214000 0.8886000 
1 1 1  -53    5   19 o   7.6170   0.3148   7.6640   0.4009   7.5710   0.4854 0.9364000E-01 0.6295000 
1 1 1  -53    5   20 o   14.420   0.1739   14.540   0.2333   14.300   0.2580 0.2389000 0.3478000 
1 1 1  -53    5   21 o   8.1820   0.2484   8.2340   0.3350   8.1300   0.3667 0.1043000 0.4967000 
1 1 1  -53    5   22 o   8.0740   0.2658   8.4890   0.3340   7.6590   0.4135 0.8307000 0.5315000 
1 1 1  -53    5   23 o   6.1770   0.4269   6.6310   0.5040   5.7230   0.6891 0.9087000 0.8538000 
1 1 1  -53    5   24 o   6.4680   0.4036   6.9200   0.4416   6.0160   0.6758 0.9047000 0.8073000 
1 1 1  -53    5   25 o   10.280   0.2428   10.340   0.3262   10.230   0.3598 0.1070000 0.4857000 
1 1 1  -53    5   26 o   10.220   0.2500   10.500   0.3329   9.9360   0.3730 0.5611000 0.5000000 
1 1 1  -53    5   27 o   4.2710   0.6155   3.2580   1.0240   5.2830   0.6840 -2.026000 1.231000 
1 1 1  -53    7    1 f   2.4160   0.5528   1.6850   0.7889   3.1470   0.7745 -1.462000 1.106000 
1 1 1  -53    7    2 o   6.7200   0.3074   6.6250   0.4948   6.8150   0.3649 -0.1907000 0.6148000 
1 1 1  -53    7    3 o   4.6510   0.4049   4.3560   0.6789   4.9460   0.4415 -0.5894000 0.8098000 
1 1 1  -53    7    4 o   5.5160   0.4844  ?   ?    5.5160   0.4844      ?      ? 
1 1 1  -53    7    5 f   6.0790   0.2510   6.1930   0.3524   5.9660   0.3574 0.2266000 0.5019000 
1 1 1  -53    7    6 o   2.7280   0.7304   2.1540   1.0060   3.3020   1.0590 -1.148000 1.461000 
1 1 1  -53    7    7 o   6.4600   0.5877   5.6240   1.0320   7.2970   0.5626 -1.672000 1.175000 
1 1 1  -53    7    8 o   10.870   0.3406   10.840   0.5502   10.890   0.4018 -0.4846000E-01 0.6813000 
1 1 1  -53    7    9 o   11.960   0.3351   12.230   0.5536   11.700   0.3778 0.5278000 0.6702000 
1 1 1  -53    7   10 o   9.1870   0.3099   8.7720   0.4551   9.6020   0.4208 -0.8297000 0.6198000 
1 1 1  -53    7   11 o   24.850   0.2353   25.030   0.3341   24.670   0.3315 0.3540000 0.4706000 
1 1 1  -53    7   12 o   6.1720   0.4291   6.0880   0.6126   6.2560   0.6011 -0.1678000 0.8582000 
1 1 1  -53    7   13 o   13.180   0.2451   13.430   0.3399   12.930   0.3532 0.5030000 0.4902000 
1 1 1  -53    7   14 f   9.3220   0.1768   9.3390   0.2455   9.3050   0.2546 0.3408000E-01 0.3536000 
1 1 1  -53    7   15 o   5.6620   0.2820   5.9060   0.4091   5.4190   0.3882 0.4876000 0.5640000 
1 1 1  -53    7   16 o   6.8860   0.2126   7.0600   0.3140   6.7130   0.2867 0.3475000 0.4252000 
1 1 1  -53    7   17 o   11.640   0.1766   11.690   0.2347   11.590   0.2638 0.1087000 0.3531000 
1 1 1  -53    7   18 o   15.690   0.1642   15.840   0.2199   15.540   0.2440 0.3017000 0.3284000 
1 1 1  -53    7   19 o   15.120   0.2206   15.020   0.2716   15.220   0.3476 -0.1982000 0.4411000 
1 1 1  -53    7   20 o   5.5010   0.3622   5.1540   0.5284   5.8480   0.4955 -0.6938000 0.7244000 
1 1 1  -53    7   21 o   2.5760   0.6662   2.3090   0.8996   2.8430   0.9829 -0.5340000 1.332000 
1 1 1  -53    7   22 o   6.2780   0.4076   6.2430   0.5309   6.3120   0.6186 -0.6947000E-01 0.8151000 
1 1 1  -53    7   23 o   12.240   0.2182   12.210   0.2965   12.270   0.3201 -0.5726000E-01 0.4363000 
1 1 1  -53    7   24 o   6.3070   0.3703   6.3320   0.5122   6.2830   0.5349 0.4903000E-01 0.7406000 
1 1 1  -53    7   25 o   7.3790   0.3314   7.6530   0.4438   7.1060   0.4923 0.5464000 0.6628000 
1 1 1  -53    7   26 o   7.1970   0.3398   7.4340   0.4628   6.9600   0.4977 0.4740000 0.6796000 
1 1 1  -53    9    1 o   10.910   0.2717   10.710   0.3832   11.110   0.3854 -0.3991000 0.5435000 
1 1 1  -53    9    2 f   11.070   0.1891   11.170   0.2734   10.970   0.2613 0.1969000 0.3782000 
1 1 1  -53    9    3 o   1.8330   0.5180   2.3450   0.8235   1.3210   0.6287 1.024000 1.036000 
1 1 1  -53    9    4 o   5.2170   0.3077   5.2990   0.4386   5.1340   0.4318 0.1655000 0.6155000 
1 1 1  -53    9    5 o   11.420   0.1887   11.770   0.3016   11.070   0.2269 0.6937000 0.3774000 
1 1 1  -53    9    6 o   6.5090   0.5130   6.8910   0.9174   6.1280   0.4594 0.7632000 1.026000 
1 1 1  -53    9    7 o   6.3060   0.2495   6.6960   0.3536   5.9170   0.3520 0.7799000 0.4989000 
1 1 1  -53    9    8 o   15.740   0.2734   15.640   0.5002   15.830   0.2210 -0.1861000 0.5469000 
1 1 1  -53    9    9 o   5.3690   0.4334   4.9380   0.8074   5.8000   0.3156 -0.8626000 0.8669000 
1 1 1  -53    9   10 o   9.4990   0.1644   10.040   0.2193   8.9560   0.2450 1.085000 0.3288000 
1 1 1  -53    9   11 o   3.7160   0.3762   4.0950   0.4716   3.3380   0.5864 0.7574000 0.7525000 
1 1 1  -53    9   12 o   2.9010   0.6118   2.6400   0.6237   3.1630   1.0530 -0.5231000 1.224000 
1 1 1  -53    9   13 o   14.830   0.1638   14.730   0.2327   14.920   0.2306 -0.1895000 0.3276000 
1 1 1  -53    9   14 o   8.0960   0.2297   8.4290   0.3749   7.7630   0.2657 0.6662000 0.4595000 
1 1 1  -53    9   15 o   6.3230   0.2437   6.0960   0.3715   6.5500   0.3155 -0.4533000 0.4874000 
1 1 1  -53    9   16 o   7.4680   0.2224   7.6650   0.3200   7.2700   0.3089 0.3951000 0.4448000 
1 1 1  -53    9   17 o   9.1870   0.2000   9.0700   0.2965   9.3030   0.2686 -0.2330000 0.4000000 
1 1 1  -53    9   18 o   6.8260   0.3959   7.1490   0.4633   6.5020   0.6421 0.6466000 0.7918000 
1 1 1  -53    9   19 o   5.4420   0.4290   5.0910   0.5959   5.7930   0.6173 -0.7027000 0.8580000 
1 1 1  -53    9   20 o   8.9000   0.2807   9.4420   0.3190   8.3580   0.4619 1.084000 0.5614000 
1 1 1  -53    9   21 o   3.8290   0.5596   3.8780   0.7529   3.7800   0.8281 0.9805000E-01 1.119000 
1 1 1  -53    9   22 f   5.8330   0.3874   6.0280   0.5071   5.6380   0.5857 0.3905000 0.7747000 
1 1 1  -53    9   23 o   9.3470   0.2655   9.4800   0.3568   9.2140   0.3933 0.2665000 0.5310000 
1 1 1  -53    9   24 o   7.9240   0.3122   8.1590   0.4107   7.6880   0.4703 0.4712000 0.6244000 
1 1 1  -53    9   25 o   10.910   0.2866   10.310   0.4115   11.520   0.3989 -1.211000 0.5731000 
1 1 1  -53   11    1 o   5.9290   0.3826   5.4640   0.6049   6.3940   0.4685 -0.9298000 0.7651000 
1 1 1  -53   11    2 o   6.5530   0.4552   6.2270   0.7508   6.8790   0.5149 -0.6521000 0.9104000 
1 1 1  -53   11    3 o   5.6540   0.4950   5.8600   0.7705   5.4490   0.6216 0.4110000 0.9900000 
1 1 1  -53   11    4 o   4.7430   0.3945   5.2010   0.5381   4.2850   0.5770 0.9159000 0.7890000 
1 1 1  -53   11    5 o   3.7370   0.4869   4.2770   0.6265   3.1960   0.7454 1.081000 0.9737000 
1 1 1  -53   11    6 o   7.3210   0.2437   7.5590   0.3454   7.0830   0.3439 0.4766000 0.4874000 
1 1 1  -53   11    7 o   10.920   0.2119   11.120   0.3423   10.720   0.2497 0.4034000 0.4237000 
1 1 1  -53   11    8 o   2.2020   0.5975   2.5330   0.9283   1.8720   0.7526 0.6613000 1.195000 
1 1 1  -53   11    9 o   2.6000   0.5753   3.1410   0.8523   2.0600   0.7731 1.081000 1.151000 
1 1 1  -53   11   10 o   8.7840   0.2242   8.4530   0.3600   9.1150   0.2671 -0.6620000 0.4483000 
1 1 1  -53   11   11 o   10.760   0.1899   10.850   0.2962   10.670   0.2377 0.1797000 0.3798000 
1 1 1  -53   11   12 o   14.850   0.1713   14.890   0.2708   14.810   0.2100 0.8225000E-01 0.3427000 
1 1 1  -53   11   13 o   13.610   0.1764   13.560   0.2782   13.660   0.2170 -0.1017000 0.3528000 
1 1 1  -53   11   14 o   11.240   0.2219   11.580   0.3519   10.900   0.2704 0.6795000 0.4438000 
1 1 1  -53   11   15 o   3.1700   0.6156   3.9480   0.8900   2.3930   0.8507 1.556000 1.231000 
1 1 1  -53   11   16 o   8.9420   0.3081   9.1550   0.4262   8.7280   0.4450 0.4279000 0.6162000 
1 1 1  -53   11   17 o   5.7610   0.3950   5.6020   0.5914   5.9200   0.5239 -0.3179000 0.7901000 
1 1 1  -53   11   18 o   9.2080   0.2222   9.1500   0.3290   9.2660   0.2987 -0.1166000 0.4444000 
1 1 1  -53   11   19 o   7.5170   0.2943   7.7290   0.3842   7.3050   0.4459 0.4244000 0.5886000 
1 1 1  -53   11   20 o   2.9630   0.6486   3.0670   0.8848   2.8590   0.9486 0.2075000 1.297000 
1 1 1  -53   11   21 f   3.4460   0.6358   3.5680   0.8409   3.3240   0.9538 0.2443000 1.272000 
1 1 1  -53   11   22 o   1.9070   0.5961   1.8320   0.8164   1.9830   0.8688 -0.1512000 1.192000 
1 1 1  -53   11   23 o   5.2040   0.5464   5.9900   0.6418   4.4180   0.8845 1.572000 1.093000 
1 1 1  -53   11   24 o   3.7350   0.6118   2.8130   0.9604   4.6560   0.7582 -1.843000 1.224000 
1 1 1  -53   13    1 o   4.9860   0.4689   4.3940   0.7767   5.5770   0.5257 -1.183000 0.9379000 
1 1 1  -53   13    2 o   6.9770   0.3233   6.6760   0.5013   7.2790   0.4085 -0.6030000 0.6467000 
1 1 1  -53   13    3 o   5.1690   0.4096   4.9530   0.6256   5.3860   0.5291 -0.4336000 0.8193000 
1 1 1  -53   13    4 o   1.8280   0.5660   1.8190   0.8106   1.8370   0.7903 -0.1757000E-01 1.132000 
1 1 1  -53   13    5 o   4.7210   0.5343   4.5110   0.9248   4.9310   0.5354 -0.4197000 1.069000 
1 1 1  -53   13    6 o   4.3100   0.5934   3.8800   0.9770   4.7400   0.6738 -0.8599000 1.187000 
1 1 1  -53   13    7 o   3.7400   0.6402   3.1720   1.0510   4.3070   0.7309 -1.135000 1.280000 
1 1 1  -53   13    8 o   12.500   0.2191   12.870   0.3102   12.120   0.3095 0.7480000 0.4382000 
1 1 1  -53   13    9 o   8.9280   0.2712   8.8960   0.3953   8.9590   0.3715 -0.6311000E-01 0.5425000 
1 1 1  -53   13   10 o   17.300   0.1968   16.990   0.2828   17.620   0.2739 -0.6323000 0.3937000 
1 1 1  -53   13   11 f   6.0720   0.3934   5.8300   0.6132   6.3140   0.4931 -0.4845000 0.7869000 
1 1 1  -53   13   12 o   4.1780   0.5511   3.7810   0.8735   4.5760   0.6723 -0.7959000 1.102000 
1 1 1  -53   13   13 o   12.370   0.2205   12.640   0.3147   12.100   0.3089 0.5347000 0.4410000 
1 1 1  -53   13   14 o   14.580   0.2043   14.570   0.2980   14.590   0.2794 -0.1746000E-01 0.4085000 
1 1 1  -53   13   15 o   3.9580   0.5396   5.0820   0.6752   2.8350   0.8419 2.247000 1.079000 
1 1 1  -53   13   16 o   9.2610   0.2552   9.3270   0.4001   9.1950   0.3169 0.1322000 0.5104000 
1 1 1  -53   13   17 o   3.5200   0.6107   3.2350   0.9725   3.8050   0.7391 -0.5700000 1.221000 
1 1 1  -53   13   18 o   9.0180   0.3461   8.2980   0.6131   9.7390   0.3213 -1.442000 0.6922000 
1 1 1  -53   13   19 o   9.8550   0.2648   9.9410   0.4134   9.7680   0.3310 0.1732000 0.5296000 
1 1 1  -53   13   20 o   8.5600   0.3657   8.1860   0.6173   8.9340   0.3922 -0.7476000 0.7313000 
1 1 1  -53   13   21 o   6.6960   0.4152   6.5560   0.5741   6.8370   0.5999 -0.2814000 0.8303000 
1 1 1  -53   13   22 o   11.020   0.2517   11.450   0.3259   10.600   0.3837 0.8515000 0.5034000 
1 1 1  -53   13   23 o   1.6410   0.5579   1.5660   0.7497   1.7150   0.8264 -0.1494000 1.116000 
1 1 1  -53   15    1 o   5.7120   0.4481   5.1860   0.6969   6.2390   0.5635 -1.053000 0.8962000 
1 1 1  -53   15    2 o   7.1200   0.3558   6.9920   0.5235   7.2470   0.4820 -0.2549000 0.7117000 
1 1 1  -53   15    3 o   1.9380   0.5970   2.1900   0.9098   1.6860   0.7733 0.5050000 1.194000 
1 1 1  -53   15    4 o   3.3320   0.6298   2.9620   0.9609   3.7030   0.8145 -0.7408000 1.260000 
1 1 1  -53   15    5 o   8.7920   0.2672   8.8920   0.3964   8.6910   0.3584 0.2007000 0.5344000 
1 1 1  -53   15    6 o   2.6390   0.6282   3.1700   0.9244   2.1080   0.8510 1.062000 1.256000 
1 1 1  -53   15    7 o   3.0960   0.5586   1.9020   0.8878   4.2900   0.6781 -2.388000 1.117000 
1 1 1  -53   15    8 o   6.4920   0.3598   6.8660   0.5458   6.1180   0.4691 0.7477000 0.7197000 
1 1 1  -53   15    9 o   9.4940   0.2637   9.5520   0.4115   9.4350   0.3299 0.1164000 0.5274000 
1 1 1  -53   15   10 o   5.3910   0.4514   5.0670   0.7531   5.7140   0.4978 -0.6471000 0.9027000 
1 1 1  -53   15   11 o   7.6840   0.3241   7.7660   0.5132   7.6010   0.3961 0.1641000 0.6483000 
1 1 1  -53   15   12 o   6.1510   0.3937   7.2030   0.5330   5.0980   0.5796 2.105000 0.7874000 
1 1 1  -53   15   13 f   5.8920   0.4012   5.8490   0.6293   5.9340   0.4977 -0.8437000E-01 0.8024000 
1 1 1  -53   15   14 o   3.4110   0.6443   3.3900   0.9871   3.4310   0.8283 -0.4133000E-01 1.289000 
1 1 1  -53   15   15 o   2.8470   0.6960   3.5650   1.0740   2.1290   0.8860 1.437000 1.392000 
1 1 1  -53   15   16 o   2.4360   0.6619   1.9950   0.9215   2.8770   0.9504 -0.8825000 1.324000 
1 1 1  -53   15   17 o   2.9070   0.6914   3.8690   1.0910   1.9450   0.8495 1.924000 1.383000 
1 1 1  -53   15   18 o   7.5490   0.3459   7.1520   0.5584   7.9460   0.4084 -0.7937000 0.6918000 
1 1 1  -53   15   19 o   8.5820   0.3178   8.2750   0.5090   8.8890   0.3806 -0.6141000 0.6355000 
1 1 1  -53   15   20 o   6.7330   0.3857   6.6480   0.6064   6.8190   0.4769 -0.1711000 0.7714000 
1 1 1  -53   15   21 o   2.8150   0.6991   2.9260   1.0420   2.7030   0.9328 0.2233000 1.398000 
1 1 1  -53   17    1 o   2.3300   0.6718   2.3020   0.9666   2.3590   0.9332 -0.5657000E-01 1.344000 
1 1 1  -53   17    2 o   6.3680   0.4042   6.2440   0.6164   6.4920   0.5231 -0.2478000 0.8085000 
1 1 1  -53   17    3 o   1.7350   0.5675   1.6630   0.7902   1.8080   0.8147 -0.1445000 1.135000 
1 1 1  -53   17    4 o   4.5780   0.5441   4.3090   0.8643   4.8470   0.6613 -0.5381000 1.088000 
1 1 1  -53   17    5 o   4.5380   0.5493   6.1050   0.5919   2.9720   0.9257 3.133000 1.099000 
1 1 1  -53   17    6 o   3.2420   0.6511   2.7770   0.9977   3.7060   0.8370 -0.9296000 1.302000 
1 1 1  -53   17    7 o   1.8230   0.5747   1.6290   0.7721   2.0170   0.8513 -0.3884000 1.149000 
1 1 1  -53   17    8 o   6.9910   0.3664   7.9000   0.5131   6.0830   0.5232 1.817000 0.7328000 
1 1 1  -53   17    9 o   4.0490   0.6341   3.7350   1.0340   4.3630   0.7345 -0.6278000 1.268000 
1 1 1  -53   17   10 o   5.4550   0.5044   4.9620   0.8518   5.9480   0.5405 -0.9857000 1.009000 
1 1 1  -53   17   11 o   8.4080   0.3197   7.6890   0.5218   9.1260   0.3695 -1.437000 0.6394000 
1 1 1  -53   17   12 o   2.4750   0.6689   2.2750   0.9708   2.6750   0.9206 -0.4000000 1.338000 
1 1 1  -53   17   13 o   2.8420   0.6179   1.9890   0.9018   3.6940   0.8449 -1.706000 1.236000 
1 1 1  -53   17   14 o   2.1080   0.6395   2.3930   0.9812   1.8240   0.8205 0.5682000 1.279000 
1 1 1  -53   17   15 o   6.7020   0.3913   6.5760   0.6117   6.8290   0.4880 -0.2530000 0.7826000 
1 1 1  -53   17   16 o   2.7680   0.6857   2.5770   1.0050   2.9590   0.9327 -0.3814000 1.371000 
1 1 1  -53   17   17 o   2.2070   0.6512   2.4450   0.9855   1.9690   0.8515 0.4758000 1.302000 
1 1 1  -53   17   18 o   9.8030   0.2896   9.4610   0.4582   10.140   0.3544 -0.6826000 0.5792000 
1 1 1  -53   17   19 o   6.0480   1.5080   6.0480   1.5080  ?   ?       ?      ? 
1 1 1  -53   19    1 o   2.2070   0.6634   1.9330   0.8922   2.4810   0.9821 -0.5480000 1.327000 
1 1 1  -53   19    2 o   2.0740   0.6764   1.9980   0.9458   2.1500   0.9674 -0.1524000 1.353000 
1 1 1  -53   19    3 o   2.3150   0.7178   2.2250   1.0100   2.4060   1.0200 -0.1805000 1.436000 
1 1 1  -53   19    4 o   1.9940   0.6426   1.8960   0.8753   2.0930   0.9410 -0.1972000 1.285000 
1 1 1  -53   19    5 o   3.0750   0.6569   2.3100   0.9729   3.8400   0.8829 -1.530000 1.314000 
1 1 1  -53   19    6 f   2.6020   0.6800   2.3540   0.9828   2.8490   0.9399 -0.4943000 1.360000 
1 1 1  -53   19    7 o   3.4670   0.6483   2.7490   1.0330   4.1850   0.7833 -1.435000 1.297000 
1 1 1  -53   19    8 o   5.0410   0.5507   4.7440   0.9163   5.3370   0.6111 -0.5926000 1.101000 
1 1 1  -53   19    9 o   2.6890   0.7138   2.9230   1.0910   2.4540   0.9213 0.4690000 1.428000 
1 1 1  -53   19   10 o   2.9290   0.7124   2.7960   1.0680   3.0630   0.9428 -0.2675000 1.425000 
1 1 1  -53   19   11 o   10.210   0.2921   10.020   0.4629   10.400   0.3564 -0.3790000 0.5842000 
1 1 1  -53   19   12 o   3.9430   0.6742   4.0230   1.0420   3.8630   0.8552 0.1598000 1.348000 
1 1 1  -53   19   13 o   2.0920   0.6456   2.4590   1.0180   1.7260   0.7943 0.7323000 1.291000 
1 1 1  -53   19   14 o   3.0380   0.5484   1.6600   0.7991   4.4170   0.7513 -2.757000 1.097000 
1 1 1  -53   19   15 o   2.6470   0.7356   2.3540   0.9923   2.9400   1.0860 -0.5858000 1.471000 
1 1 1  -53   21    1 o   1.6410   0.5623   1.9070   0.8923   1.3750   0.6845 0.5328000 1.125000 
1 1 1  -53   21    2 o   2.9990   0.6793   4.0360   1.0300   1.9620   0.8861 2.074000 1.359000 
1 1 1  -53   21    3 o   3.5880   0.7380   3.7820   1.0790   3.3930   1.0070 0.3884000 1.476000 
1 1 1  -53   21    4 o   2.2140   0.6579   1.8660   0.8736   2.5620   0.9838 -0.6964000 1.316000 
1 1 1  -53   21    5 o   2.2760   0.6764   2.2650   0.9745   2.2860   0.9381 -0.2071000E-01 1.353000 
1 1 1  -53   21    6 o   3.2970   0.6688   2.4650   1.0190   4.1280   0.8669 -1.663000 1.338000 
1 1 1  -53   21    7 o   4.9490   0.5389   4.4620   0.8501   5.4360   0.6626 -0.9739000 1.078000 
1 1 1  -53   21    8 o   1.7780   0.5967   1.9540   0.9160   1.6020   0.7648 0.3522000 1.193000 
1 1 1  -53   21    9 f   1.9760   0.6337   1.8790   0.8891   2.0730   0.9032 -0.1931000 1.267000 
1 1 1  -53   21   10 o   2.1000   0.9234  ?   ?    2.1000   0.9234      ?      ? 
1 1 1  -52    0    1 o   5.3220   0.4741   5.3220   0.4741   5.3220   0.4741 -0.000000 0.000000 
1 1 1  -52    0    2 o   1.0330   0.7045   1.0330   0.7045   1.0330   0.7045 -0.000000 0.000000 
1 1 1  -52    0    3 f   0.8408   0.5860   0.8408   0.5860   0.8408   0.5860 -0.000000 0.000000 
1 1 1  -52    0    4 f   0.8063   0.5666   0.8063   0.5666   0.8063   0.5666 -0.000000 0.000000 
1 1 1  -52    0    5 o   0.7415   0.5295   0.7415   0.5295   0.7415   0.5295 -0.000000 0.000000 
1 1 1  -52    0    6 o   11.540   0.1608   11.540   0.1608   11.540   0.1608 -0.000000 0.000000 
1 1 1  -52    0    7 o   15.780   0.2747   15.780   0.2747   15.780   0.2747 -0.000000 0.000000 
1 1 1  -52    0   11 o   4.8940   0.3859   4.8940   0.3859   4.8940   0.3859 -0.000000 0.000000 
1 1 1  -52    0   12 o   3.8850   0.3613   3.8850   0.3613   3.8850   0.3613 -0.000000 0.000000 
1 1 1  -52    0   13 o   1.8120   0.9145   1.8120   0.9145   1.8120   0.9145 -0.000000 0.000000 
1 1 1  -52    0   14 o   6.1250   0.2618   6.1250   0.2618   6.1250   0.2618 -0.000000 0.000000 
1 1 1  -52    0   15 o   5.5480   0.3127   5.5480   0.3127   5.5480   0.3127 -0.000000 0.000000 
1 1 1  -52    0   16 o   4.4170   0.4236   4.4170   0.4236   4.4170   0.4236 -0.000000 0.000000 
1 1 1  -52    0   17 o   3.4860   0.6128   3.4860   0.6128   3.4860   0.6128 -0.000000 0.000000 
1 1 1  -52    0   18 o   1.7450   1.0060   1.7450   1.0060   1.7450   1.0060 -0.000000 0.000000 
1 1 1  -52    0   19 o   3.5190   0.6706   3.5190   0.6706   3.5190   0.6706 -0.000000 0.000000 
1 1 1  -52    0   20 o   9.6210   0.2681   9.6210   0.2681   9.6210   0.2681 -0.000000 0.000000 
1 1 1  -52    0   21 o   1.4470   0.8737   1.4470   0.8737   1.4470   0.8737 -0.000000 0.000000 
1 1 1  -52    0   22 o   10.730   0.2655   10.730   0.2655   10.730   0.2655 -0.000000 0.000000 
1 1 1  -52    0   23 o   3.9180   0.7021   3.9180   0.7021   3.9180   0.7021 -0.000000 0.000000 
1 1 1  -52    0   24 o   1.6100   0.9411   1.6100   0.9411   1.6100   0.9411 -0.000000 0.000000 
1 1 1  -52    0   25 o   1.9280   1.0860   1.9280   1.0860   1.9280   1.0860 -0.000000 0.000000 
1 1 1  -52    0   26 o   13.250   0.3913   13.250   0.3913   13.250   0.3913 -0.000000 0.000000 
1 1 1  -52    0   27 o   11.560   0.3547   11.560   0.3547   11.560   0.3547 -0.000000 0.000000 
1 1 1  -52    0   28 o   3.3680   1.1540   3.3680   1.1540   3.3680   1.1540 -0.000000 0.000000 
1 1 1  -52    2    1 o   3.8850   0.5883   3.5400   0.8426   4.2310   0.8212 -0.6919000 1.177000 
1 1 1  -52    2    2 o   3.6570   0.4829   3.4370   0.8074   3.8770   0.5299 -0.4404000 0.9658000 
1 1 1  -52    2    3 o   9.4600   0.1977   9.6790   0.2975   9.2400   0.2604 0.4387000 0.3953000 
1 1 1  -52    2    4 o   19.080   0.1341   19.380   0.2012   18.790   0.1773 0.5922000 0.2682000 
1 1 1  -52    2    5 o   9.0950   0.2628   9.5460   0.4872   8.6440   0.1969 0.9025000 0.5255000 
1 1 1  -52    2    6 o   14.890   0.2244   14.910   0.3706   14.870   0.2531 0.3690000E-01 0.4488000 
1 1 1  -52    2    7 o   15.030   0.2188   15.430   0.3613   14.630   0.2468 0.7972000 0.4376000 
1 1 1  -52    2    8 o   4.9930   0.5837   5.4920   0.6598   4.4940   0.9629 0.9973000 1.167000 
1 1 1  -52    2    9 o   2.8010   0.6927   2.4770   0.9370   3.1240   1.0200 -0.6477000 1.385000 
1 1 1  -52    2   10 o   10.210   0.2809   10.060   0.3746   10.360   0.4187 -0.2944000 0.5618000 
1 1 1  -52    2   11 f   4.4020   0.3825   4.5030   0.5245   4.3020   0.5569 0.2008000 0.7650000 
1 1 1  -52    2   12 o   12.280   0.1820   12.300   0.2535   12.260   0.2611 0.4808000E-01 0.3639000 
1 1 1  -52    2   13 o   6.7260   0.2745   6.7130   0.3806   6.7380   0.3955 -0.2505000E-01 0.5489000 
1 1 1  -52    2   14 o   20.270   0.1631   20.120   0.1785   20.410   0.2729 -0.2871000 0.3261000 
1 1 1  -52    2   15 o   13.960   0.1585   14.480   0.2072   13.430   0.2398 1.046000 0.3169000 
1 1 1  -52    2   16 o   3.5570   0.4695   4.2190   0.5341   2.8960   0.7722 1.324000 0.9389000 
1 1 1  -52    2   17 o   12.990   0.1652   12.850   0.2017   13.130   0.2617 -0.2808000 0.3304000 
1 1 1  -52    2   18 o   7.8570   0.2142   7.9030   0.2845   7.8100   0.3202 0.9380000E-01 0.4283000 
1 1 1  -52    2   19 o   3.9100   0.5529   4.4800   0.5858   3.3400   0.9378 1.139000 1.106000 
1 1 1  -52    2   20 o   16.490   0.1618   16.540   0.2143   16.430   0.2426 0.1040000 0.3237000 
1 1 1  -52    2   21 f   12.530   0.1803   12.470   0.2402   12.590   0.2690 -0.1160000 0.3606000 
1 1 1  -52    2   22 o   2.4510   0.6031   2.2810   0.8293   2.6210   0.8760 -0.3391000 1.206000 
1 1 1  -52    2   23 o   5.4550   0.3694   4.9950   0.5400   5.9160   0.5041 -0.9217000 0.7388000 
1 1 1  -52    2   24 o   2.5690   0.6123   3.0690   0.8648   2.0680   0.8672 1.001000 1.225000 
1 1 1  -52    2   25 o   7.3400   0.3721   7.1540   0.4849   7.5250   0.5644 -0.3710000 0.7441000 
1 1 1  -52    2   26 o   9.1780   0.2890   9.3530   0.4072   9.0030   0.4100 0.3505000 0.5779000 
1 1 1  -52    2   27 o   2.2020   0.6312   1.7110   0.7886   2.6930   0.9858 -0.9819000 1.262000 
1 1 1  -52    2   28 o   8.1170   0.3243   8.5170   0.4129   7.7170   0.5001 0.8001000 0.6485000 
1 1 1  -52    4    1 o   6.4280   0.3104   6.5530   0.4817   6.3020   0.3917 0.2517000 0.6209000 
1 1 1  -52    4    2 o   3.9360   0.4582   4.5500   0.6291   3.3230   0.6665 1.227000 0.9165000 
1 1 1  -52    4    3 o   9.6060   0.2152   9.9670   0.2880   9.2450   0.3199 0.7220000 0.4305000 
1 1 1  -52    4    4 o   4.0210   0.3820   4.1510   0.4653   3.8910   0.6060 0.2601000 0.7640000 
1 1 1  -52    4    5 o   5.7290   0.5137   6.0360   0.8331   5.4230   0.6012 0.6132000 1.027000 
1 1 1  -52    4    6 o   3.0890   0.7469   3.0550   1.1330   3.1230   0.9740 -0.6812000E-01 1.494000 
1 1 1  -52    4    7 o   5.2900   0.5384   4.9080   0.9255   5.6710   0.5505 -0.7632000 1.077000 
1 1 1  -52    4    8 o   3.5000   0.6266   5.0460   0.9313   1.9540   0.8385 3.092000 1.253000 
1 1 1  -52    4    9 o   14.760   0.2468   14.660   0.4030   14.870   0.2852 -0.2166000 0.4937000 
1 1 1  -52    4   10 o   7.3860   0.3681   7.1600   0.6101   7.6120   0.4118 -0.4520000 0.7361000 
1 1 1  -52    4   11 o   9.0010   0.2536   8.7300   0.3603   9.2730   0.3570 -0.5432000 0.5072000 
1 1 1  -52    4   12 o   7.4430   0.2976   7.5130   0.4126   7.3740   0.4288 0.1389000 0.5951000 
1 1 1  -52    4   13 o   9.7990   0.3284   9.9940   0.4819   9.6040   0.4462 0.3896000 0.6567000 
1 1 1  -52    4   14 o   7.5460   0.4091   7.5880   0.6087   7.5050   0.5467 0.8271000E-01 0.8181000 
1 1 1  -52    4   15 o   2.9320   0.4480   3.1200   0.5658   2.7440   0.6947 0.3761000 0.8959000 
1 1 1  -52    4   16 o   6.1040   0.2462   5.8320   0.3482   6.3750   0.3482 -0.5423000 0.4925000 
1 1 1  -52    4   17 o   11.160   0.1686   11.510   0.2270   10.820   0.2493 0.6826000 0.3372000 
1 1 1  -52    4   18 o   14.180   0.1593   14.280   0.2137   14.080   0.2363 0.2015000 0.3186000 
1 1 1  -52    4   19 o   12.030   0.2253   12.230   0.2746   11.830   0.3572 0.4006000 0.4505000 
1 1 1  -52    4   20 f   6.0340   0.3101   5.9880   0.4185   6.0800   0.4579 -0.9258000E-01 0.6203000 
1 1 1  -52    4   21 o   18.710   0.1673   18.710   0.2212   18.700   0.2512 0.7597000E-02 0.3347000 
1 1 1  -52    4   22 o   5.6100   0.3610   5.9190   0.4644   5.3010   0.5529 0.6180000 0.7220000 
1 1 1  -52    4   23 o   5.2820   0.4064   4.7330   0.6143   5.8310   0.5324 -1.098000 0.8129000 
1 1 1  -52    4   24 o   8.7720   0.3185   9.4620   0.3788   8.0820   0.5121 1.380000 0.6370000 
1 1 1  -52    4   25 o   3.4310   0.6269   3.7110   0.8315   3.1520   0.9385 0.5584000 1.254000 
1 1 1  -52    4   26 o   8.0550   0.3041   8.1730   0.4021   7.9370   0.4563 0.2360000 0.6082000 
1 1 1  -52    4   27 o   2.6710   0.6980   2.3970   0.9787   2.9440   0.9956 -0.5471000 1.396000 
1 1 1  -52    6    1 o   4.8290   0.4264   5.1150   0.6534   4.5440   0.5480 0.5707000 0.8528000 
1 1 1  -52    6    2 o   5.1890   0.3729   5.3430   0.5849   5.0360   0.4628 0.3074000 0.7458000 
1 1 1  -52    6    3 o   10.120   0.1988   9.9440   0.3173   10.300   0.2395 -0.3552000 0.3976000 
1 1 1  -52    6    4 o   14.770   0.1585   14.840   0.2542   14.710   0.1893 0.1282000 0.3169000 
1 1 1  -52    6    5 o   4.2720   0.6383   4.2120   1.2140   4.3320   0.3958 -0.1207000 1.277000 
1 1 1  -52    6    6 o   10.750   0.3428   11.430   0.5441   10.070   0.4170 1.363000 0.6855000 
1 1 1  -52    6    7 o   11.100   0.3235   11.590   0.5161   10.610   0.3902 0.9816000 0.6469000 
1 1 1  -52    6    8 o   4.5640   0.6774   4.3140   1.1150   4.8140   0.7699 -0.4998000 1.355000 
1 1 1  -52    6    9 o   6.6640   0.5525   5.7860   0.9924   7.5420   0.4858 -1.756000 1.105000 
1 1 1  -52    6   10 o   5.3710   0.4732   5.8140   0.5865   4.9290   0.7429 0.8852000 0.9465000 
1 1 1  -52    6   11 o   8.6850   0.4118   8.6850   0.4118  ?   ?       ?      ? 
1 1 1  -52    6   12 o   5.1340   0.4881   5.0750   0.6922   5.1940   0.6885 -0.1187000 0.9763000 
1 1 1  -52    6   13 o   19.270   0.2156   19.260   0.3047   19.270   0.3051 -0.1405000E-01 0.4312000 
1 1 1  -52    6   14 o   22.040   0.1648   21.990   0.2325   22.090   0.2336 -0.1072000 0.3295000 
1 1 1  -52    6   15 o   8.9580   0.1972   9.3310   0.2733   8.5850   0.2844 0.7467000 0.3945000 
1 1 1  -52    6   16 o   6.9970   0.2305   6.9090   0.3188   7.0850   0.3329 -0.1765000 0.4610000 
1 1 1  -52    6   17 o   8.3440   0.2113   8.2910   0.2916   8.3970   0.3058 -0.1054000 0.4225000 
1 1 1  -52    6   18 o   7.4960   0.2421   7.4870   0.3307   7.5050   0.3536 -0.1773000E-01 0.4842000 
1 1 1  -52    6   19 o   3.2090   0.6408   3.6750   0.8080   2.7430   0.9949 0.9319000 1.282000 
1 1 1  -52    6   20 o   16.030   0.1734   15.860   0.2352   16.200   0.2550 -0.3339000 0.3469000 
1 1 1  -52    6   21 o   4.7650   0.4327   4.8250   0.5807   4.7050   0.6416 0.1199000 0.8654000 
1 1 1  -52    6   22 o   7.3250   0.3584   6.9660   0.4873   7.6850   0.5257 -0.7193000 0.7168000 
1 1 1  -52    6   23 o   9.7090   0.2749   9.7740   0.3259   9.6440   0.4427 0.1306000 0.5497000 
1 1 1  -52    6   24 o   4.7690   0.4796   4.4660   0.7013   5.0710   0.6544 -0.6048000 0.9592000 
1 1 1  -52    6   25 o   2.5080   0.6545   2.7040   0.9264   2.3110   0.9249 0.3929000 1.309000 
1 1 1  -52    6   26 o   6.7380   0.3914   6.4120   0.6146   7.0640   0.4848 -0.6523000 0.7828000 
1 1 1  -52    6   27 o   5.7980   0.5579   6.2420   0.8159   5.3550   0.7611 0.8867000 1.116000 
1 1 1  -52    8    1 o   4.6540   0.4170   4.1870   0.6534   5.1210   0.5183 -0.9340000 0.8341000 
1 1 1  -52    8    2 o   8.3400   0.2259   8.5540   0.3198   8.1270   0.3193 0.4262000 0.4519000 
1 1 1  -52    8    3 o   5.9620   0.2807   6.2810   0.3861   5.6430   0.4076 0.6385000 0.5614000 
1 1 1  -52    8    4 o   14.530   0.2051  ?   ?    14.530   0.2051      ?      ? 
1 1 1  -52    8    5 f   13.750   0.1870   13.750   0.2725   13.750   0.2562 -0.3867000E-02 0.3740000 
1 1 1  -52    8    6 o   10.760   0.1708   10.730   0.2477   10.780   0.2352 -0.4683000E-01 0.3416000 
1 1 1  -52    8    7 o   9.3690   0.3554   9.3440   0.6777   9.3940   0.2141 -0.5001000E-01 0.7107000 
1 1 1  -52    8    8 f   3.5530   0.7652   4.6730   1.1550   2.4320   1.0040 2.241000 1.530000 
1 1 1  -52    8    9 o   20.350   0.2342   20.300   0.3244   20.410   0.3379 -0.1112000 0.4684000 
1 1 1  -52    8   10 o   14.790   0.2489   14.490   0.3523   15.090   0.3518 -0.6085000 0.4978000 
1 1 1  -52    8   11 o   9.1820   0.3217   9.4670   0.4352   8.8960   0.4738 0.5708000 0.6433000 
1 1 1  -52    8   12 f   3.8360   0.3474   4.4020   0.4207   3.2700   0.5529 1.132000 0.6948000 
1 1 1  -52    8   13 o   2.7890   0.6132   2.2510   0.6680   3.3280   1.0290 -1.077000 1.226000 
1 1 1  -52    8   14 o   12.180   0.1726   12.410   0.2454   11.960   0.2428 0.4517000 0.3452000 
1 1 1  -52    8   15 o   14.920   0.1411   15.030   0.2044   14.800   0.1947 0.2343000 0.2823000 
1 1 1  -52    8   16 o   14.020   0.1477   13.990   0.2151   14.050   0.2025 -0.6258000E-01 0.2954000 
1 1 1  -52    8   17 o   9.0510   0.2154   8.8630   0.2909   9.2390   0.3177 -0.3753000 0.4308000 
1 1 1  -52    8   18 o   8.1100   0.3182   7.5270   0.4210   8.6940   0.4771 -1.166000 0.6363000 
1 1 1  -52    8   19 o   5.4490   0.3550   5.1690   0.5064   5.7290   0.4975 -0.5607000 0.7099000 
1 1 1  -52    8   20 o   3.3690   0.6532   3.1960   0.8893   3.5430   0.9569 -0.3473000 1.306000 
1 1 1  -52    8   21 o   15.800   0.2062   15.790   0.2421   15.820   0.3339 -0.2628000E-01 0.4125000 
1 1 1  -52    8   22 o   3.6990   0.5871   3.8030   0.7785   3.5950   0.8791 0.2073000 1.174000 
1 1 1  -52    8   23 o   9.3980   0.2642   9.5780   0.3491   9.2190   0.3965 0.3587000 0.5284000 
1 1 1  -52    8   24 o   2.1460   0.6344   2.2140   0.9025   2.0790   0.8917 0.1345000 1.269000 
1 1 1  -52    8   25 o   7.5260   0.3357   7.4280   0.4750   7.6240   0.4744 -0.1962000 0.6714000 
1 1 1  -52    8   26 o   8.2240   0.4040   7.8970   0.6331   8.5520   0.5020 -0.6556000 0.8079000 
1 1 1  -52   10    1 o   6.7850   0.3853   6.6550   0.6077   6.9140   0.4737 -0.2590000 0.7705000 
1 1 1  -52   10    2 o   4.2470   0.5852   3.7100   0.9797   4.7830   0.6405 -1.073000 1.170000 
1 1 1  -52   10    3 o   6.0770   0.3039   6.7470   0.4108   5.4070   0.4480 1.340000 0.6078000 
1 1 1  -52   10    4 o   9.2280   0.2058   9.3080   0.3034   9.1490   0.2780 0.1592000 0.4115000 
1 1 1  -52   10    5 f   8.1020   0.2180   8.2300   0.3204   7.9740   0.2958 0.2560000 0.4361000 
1 1 1  -52   10    6 o   5.3360   0.3747   4.9020   0.6466   5.7700   0.3789 -0.8682000 0.7494000 
1 1 1  -52   10    7 o   18.780   0.1778   18.830   0.2896   18.730   0.2065 0.9908000E-01 0.3557000 
1 1 1  -52   10    8 o   9.3350   0.3780   9.3210   0.7152   9.3500   0.2454 -0.2916000E-01 0.7561000 
1 1 1  -52   10    9 o   6.8680   0.3838   6.9380   0.6195   6.7980   0.4533 0.1405000 0.7676000 
1 1 1  -52   10   10 o   8.4360   0.3136   8.5840   0.5235   8.2880   0.3454 0.2960000 0.6271000 
1 1 1  -52   10   11 o   3.0860   0.6489   3.4240   1.0850   2.7470   0.7122 0.6763000 1.298000 
1 1 1  -52   10   12 o   7.7780   0.2290   7.5890   0.3654   7.9680   0.2762 -0.3788000 0.4580000 
1 1 1  -52   10   13 o   9.1040   0.2107   9.0830   0.3341   9.1240   0.2569 -0.4068000E-01 0.4214000 
1 1 1  -52   10   14 f   11.820   0.1610   11.820   0.2292   11.820   0.2261 0.6886000E-02 0.3220000 
1 1 1  -52   10   15 o   13.610   0.1584   13.630   0.2265   13.580   0.2215 0.4656000E-01 0.3168000 
1 1 1  -52   10   16 f   6.8850   0.2578   6.9410   0.3721   6.8280   0.3570 0.1128000 0.5157000 
1 1 1  -52   10   17 o   6.8930   0.3836   7.4430   0.5184   6.3440   0.5655 1.099000 0.7672000 
1 1 1  -52   10   18 o   7.8790   0.3101   7.8270   0.4026   7.9300   0.4718 -0.1035000 0.6202000 
1 1 1  -52   10   19 f   3.2960   0.5885   3.7850   0.7534   2.8070   0.9044 0.9781000 1.177000 
1 1 1  -52   10   20 o   2.6860   0.6375   2.7390   0.8815   2.6340   0.9213 0.1048000 1.275000 
1 1 1  -52   10   21 o   3.1610   0.6153   2.5530   0.9024   3.7690   0.8368 -1.217000 1.231000 
1 1 1  -52   10   22 o   2.7720   0.6042   1.9130   0.8316   3.6320   0.8767 -1.719000 1.208000 
1 1 1  -52   10   23 o   9.6270   0.2604   9.2980   0.3610   9.9550   0.3753 -0.6570000 0.5208000 
1 1 1  -52   10   24 o   8.1530   0.3571   7.4560   0.5351   8.8510   0.4729 -1.395000 0.7141000 
1 1 1  -52   10   25 o   4.7030   0.5365   4.5690   0.7550   4.8370   0.7625 -0.2675000 1.073000 
1 1 1  -52   12    1 o   5.0070   0.4343   4.8070   0.6739   5.2070   0.5480 -0.3997000 0.8686000 
1 1 1  -52   12    2 o   3.0200   0.6019   3.6780   0.8413   2.3620   0.8611 1.316000 1.204000 
1 1 1  -52   12    3 o   8.5000   0.2578   8.6610   0.3675   8.3400   0.3616 0.3210000 0.5155000 
1 1 1  -52   12    4 o   6.9520   0.4196   6.9460   0.6592   6.9580   0.5192 -0.1208000E-01 0.8391000 
1 1 1  -52   12    5 o   3.7080   0.6969   4.4260   1.0030   2.9900   0.9674 1.436000 1.394000 
1 1 1  -52   12    6 o   8.3970   0.2579   8.2780   0.3893   8.5160   0.3384 -0.2380000 0.5158000 
1 1 1  -52   12    7 o   2.6350   0.6646   2.4490   1.0200   2.8210   0.8520 -0.3722000 1.329000 
1 1 1  -52   12    8 f   7.9430   0.2944   7.5770   0.4761   8.3090   0.3462 -0.7322000 0.5887000 
1 1 1  -52   12    9 o   14.580   0.2054   14.520   0.3234   14.630   0.2534 -0.1067000 0.4109000 
1 1 1  -52   12   10 o   5.6110   0.3864   5.8050   0.5754   5.4180   0.5157 0.3869000 0.7727000 
1 1 1  -52   12   11 o   3.5580   0.6288   3.2720   1.0080   3.8450   0.7525 -0.5733000 1.258000 
1 1 1  -52   12   12 o   13.350   0.2153   13.210   0.3400   13.480   0.2641 -0.2776000 0.4305000 
1 1 1  -52   12   13 o   10.970   0.2357   11.150   0.3676   10.790   0.2950 0.3579000 0.4714000 
1 1 1  -52   12   14 o   11.830   0.2214   11.810   0.3225   11.850   0.3036 -0.4859000E-01 0.4429000 
1 1 1  -52   12   15 o   5.8410   0.3896   6.3200   0.5325   5.3620   0.5690 0.9582000 0.7793000 
1 1 1  -52   12   16 o   8.7420   0.2558   8.9030   0.3980   8.5800   0.3214 0.3229000 0.5116000 
1 1 1  -52   12   17 o   16.520   0.1862   16.890   0.2874   16.150   0.2368 0.7372000 0.3723000 
1 1 1  -52   12   18 o   8.9740   0.2627   9.2260   0.4042   8.7210   0.3356 0.5050000 0.5254000 
1 1 1  -52   12   19 o   7.1410   0.2922   7.0930   0.4213   7.1880   0.4049 -0.9470000E-01 0.5843000 
1 1 1  -52   12   20 o   4.6830   0.5056   4.6130   0.6800   4.7520   0.7485 -0.1391000 1.011000 
1 1 1  -52   12   21 o   2.6500   0.7038   2.2860   0.9493   3.0130   1.0390 -0.7272000 1.408000 
1 1 1  -52   12   22 o   6.9330   0.4192   7.8550   0.4815   6.0110   0.6864 1.845000 0.8385000 
1 1 1  -52   12   23 f   3.9010   0.6181   3.8150   0.8639   3.9870   0.8842 -0.1719000 1.236000 
1 1 1  -52   12   24 f   4.2810   0.5776   4.5110   0.7596   4.0500   0.8703 0.4605000 1.155000 
1 1 1  -52   14    1 o   2.2120   0.6064   1.7010   0.7941   2.7220   0.9167 -1.021000 1.213000 
1 1 1  -52   14    2 o   4.4810   0.5230   3.9640   0.8558   4.9980   0.6015 -1.034000 1.046000 
1 1 1  -52   14    3 o   2.6650   0.6533   2.8900   0.9535   2.4400   0.8935 0.4496000 1.307000 
1 1 1  -52   14    4 o   4.7740   0.4674   4.2200   0.7609   5.3270   0.5430 -1.107000 0.9348000 
1 1 1  -52   14    5 o   7.2440   0.3032   7.4290   0.4456   7.0590   0.4114 0.3696000 0.6064000 
1 1 1  -52   14    6 o   3.0340   0.6272   3.1880   0.9161   2.8810   0.8569 0.3072000 1.254000 
1 1 1  -52   14    7 o   1.9940   0.6211   2.3690   0.9968   1.6180   0.7413 0.7507000 1.242000 
1 1 1  -52   14    8 o   5.3070   0.4108   5.8360   0.5928   4.7770   0.5688 1.059000 0.8216000 
1 1 1  -52   14    9 o   10.470   0.2317   10.580   0.3611   10.370   0.2905 0.2157000 0.4635000 
1 1 1  -52   14   10 o   8.0740   0.2886   8.1040   0.4584   8.0430   0.3507 0.6144000E-01 0.5771000 
1 1 1  -52   14   11 o   4.0870   0.5687   3.5740   0.9702   4.6000   0.5937 -1.026000 1.137000 
1 1 1  -52   14   12 o   5.5740   0.4109   5.7130   0.6339   5.4350   0.5230 0.2776000 0.8218000 
1 1 1  -52   14   13 o   9.1710   0.2636   8.8060   0.4223   9.5360   0.3157 -0.7304000 0.5272000 
1 1 1  -52   14   14 o   4.2470   0.5235   4.5300   0.7784   3.9630   0.7003 0.5668000 1.047000 
1 1 1  -52   14   15 o   8.6020   0.2799   8.4850   0.4422   8.7190   0.3434 -0.2343000 0.5598000 
1 1 1  -52   14   16 o   2.3440   0.6480   2.3850   0.9597   2.3030   0.8708 0.8252000E-01 1.296000 
1 1 1  -52   14   17 o   2.2410   0.6010   1.6760   0.7927   2.8050   0.9035 -1.129000 1.202000 
1 1 1  -52   14   18 o   7.9430   0.3673   8.1680   0.5806   7.7190   0.4502 0.4490000 0.7347000 
1 1 1  -52   14   19 o   8.4880   0.3603   8.5650   0.5858   8.4100   0.4197 0.1542000 0.7206000 
1 1 1  -52   14   20 o   5.8440   0.4488   5.1150   0.7568   6.5730   0.4825 -1.459000 0.8975000 
1 1 1  -52   14   21 o   7.7250   0.3345   7.7410   0.5159   7.7100   0.4259 0.3078000E-01 0.6689000 
1 1 1  -52   14   22 o   4.1730   0.6546   4.4080   0.9166   3.9380   0.9347 0.4706000 1.309000 
1 1 1  -52   16    1 o   7.3170   0.3471   7.3780   0.5081   7.2560   0.4732 0.1218000 0.6943000 
1 1 1  -52   16    2 o   9.8720   0.2681   9.5660   0.4080   10.180   0.3478 -0.6127000 0.5361000 
1 1 1  -52   16    3 o   3.9540   0.6186   3.7020   0.9253   4.2060   0.8212 -0.5037000 1.237000 
1 1 1  -52   16    4 o   3.8200   0.6326   3.4190   0.9769   4.2200   0.8039 -0.8004000 1.265000 
1 1 1  -52   16    5 o   3.9720   0.6053   4.1460   0.8557   3.7980   0.8564 0.3480000 1.211000 
1 1 1  -52   16    6 o   1.6690   0.5496   1.7320   0.8000   1.6070   0.7538 0.1256000 1.099000 
1 1 1  -52   16    7 o   3.1060   0.7248   3.3050   1.1190   2.9060   0.9213 0.3995000 1.450000 
1 1 1  -52   16    8 o   4.2480   0.6403   4.3130   1.0310   4.1840   0.7589 0.1289000 1.281000 
1 1 1  -52   16    9 f   4.6070   0.6183   4.8930   0.9841   4.3210   0.7489 0.5728000 1.237000 
1 1 1  -52   16   10 o   4.1920   0.6638   3.7520   1.1250   4.6320   0.7046 -0.8795000 1.328000 
1 1 1  -52   16   11 o   10.560   0.2932   10.640   0.4744   10.480   0.3446 0.1662000 0.5863000 
1 1 1  -52   16   12 o   9.2570   0.3289   9.4660   0.5358   9.0490   0.3818 0.4171000 0.6579000 
1 1 1  -52   16   13 o   6.6840   0.4447   6.4070   0.7381   6.9610   0.4963 -0.5540000 0.8895000 
1 1 1  -52   16   14 o   3.1560   0.6666   2.3480   1.0200   3.9640   0.8589 -1.616000 1.333000 
1 1 1  -52   16   15 o   4.8210   0.5328   4.2940   0.8900   5.3470   0.5858 -1.053000 1.066000 
1 1 1  -52   16   16 o   2.9350   0.6797   2.6560   1.0120   3.2140   0.9079 -0.5587000 1.359000 
1 1 1  -52   16   17 o   8.4890   0.3089   8.3210   0.4854   8.6570   0.3823 -0.3356000 0.6179000 
1 1 1  -52   16   18 o   10.910   0.2616   10.510   0.4146   11.300   0.3191 -0.7946000 0.5231000 
1 1 1  -52   16   19 o   5.0980   0.5141   5.2280   0.7813   4.9670   0.6684 0.2607000 1.028000 
1 1 1  -52   16   20 o   10.640   0.2711   10.370   0.4238   10.910   0.3382 -0.5414000 0.5422000 
1 1 1  -52   18    1 o   2.9770   0.7509   3.8520   1.1610   2.1010   0.9526 1.751000 1.502000 
1 1 1  -52   18    2 o   1.9350   0.6184   1.9650   0.8899   1.9060   0.8589 0.5915000E-01 1.237000 
1 1 1  -52   18    3 o   4.0330   0.6331   4.4090   0.8829   3.6570   0.9075 0.7525000 1.266000 
1 1 1  -52   18    4 o   1.8770   0.5982   1.7310   0.8162   2.0240   0.8749 -0.2925000 1.196000 
1 1 1  -52   18    5 o   4.4070   0.5890   3.9900   0.9515   4.8250   0.6946 -0.8350000 1.178000 
1 1 1  -52   18    6 o   3.1360   0.6651   2.7050   0.9973   3.5670   0.8804 -0.8621000 1.330000 
1 1 1  -52   18    7 o   2.6730   0.6612   2.6250   0.9503   2.7200   0.9196 -0.9554000E-01 1.322000 
1 1 1  -52   18    8 o   7.7800   0.3399   7.9480   0.5302   7.6120   0.4257 0.3366000 0.6799000 
1 1 1  -52   18    9 o   6.5040   0.4515   5.6890   0.7835   7.3190   0.4489 -1.630000 0.9030000 
1 1 1  -52   18   10 o   4.2860   0.6138   4.5890   0.9226   3.9830   0.8098 0.6063000 1.228000 
1 1 1  -52   18   11 o   4.0490   0.6316   3.9240   0.9955   4.1730   0.7775 -0.2481000 1.263000 
1 1 1  -52   18   12 o   3.8210   0.6491   3.1690   1.0750   4.4730   0.7271 -1.303000 1.298000 
1 1 1  -52   18   13 o   2.2990   0.6551   2.9910   1.0720   1.6080   0.7532 1.383000 1.310000 
1 1 1  -52   18   14 o   1.9080   0.6073   1.8120   0.8506   2.0040   0.8671 -0.1917000 1.215000 
1 1 1  -52   18   15 o   3.4880   0.6976   3.9720   0.9994   3.0050   0.9736 0.9664000 1.395000 
1 1 1  -52   18   16 o   6.2470   0.4178   6.3170   0.6364   6.1760   0.5415 0.1410000 0.8356000 
1 1 1  -52   18   17 o   2.9040   0.7129   3.4760   1.0270   2.3310   0.9889 1.144000 1.426000 
1 1 1  -52   18   18 o   2.3520   0.7287   2.5060   1.0950   2.1970   0.9617 0.3086000 1.457000 
1 1 1  -52   20    1 o   2.7750   0.7368   3.0000   1.0850   2.5500   0.9973 0.4507000 1.474000 
1 1 1  -52   20    2 o   2.7370   0.7338   2.9310   1.0790   2.5430   0.9952 0.3870000 1.468000 
1 1 1  -52   20    3 o   2.9690   0.7349   2.8430   1.0660   3.0940   1.0120 -0.2510000 1.470000 
1 1 1  -52   20    4 o   5.2240   0.5464   5.1080   0.8333   5.3410   0.7068 -0.2322000 1.093000 
1 1 1  -52   20    5 o   3.3990   0.8250   3.4960   1.2130   3.3030   1.1190 0.1923000 1.650000 
1 1 1  -52   20    6 o   2.6340   0.7720   2.7130   1.1390   2.5550   1.0430 0.1580000 1.544000 
1 1 1  -52   20    7 o   2.8490   0.6985   1.9430   0.9066   3.7550   1.0630 -1.812000 1.397000 
1 1 1  -52   20    8 o   8.5940   0.4434   9.1040   0.6985   8.0840   0.5462 1.020000 0.8867000 
1 1 1  -52   20    9 o   5.5110   0.6803   5.9290   1.0740   5.0920   0.8354 0.8374000 1.361000 
1 1 1  -52   20   10 o   2.5470   0.7686   2.8830   1.1940   2.2110   0.9678 0.6714000 1.537000 
1 1 1  -52   20   11 o   3.7140   0.7981   3.1230   1.2360   4.3050   1.0110 -1.183000 1.596000 
1 1 1  -52   20   12 o   2.0780   0.6708   1.8440   0.9048   2.3110   0.9907 -0.4665000 1.342000 
1 1 1  -52   20   13 o   1.5740   0.5544   1.6400   0.8220   1.5080   0.7441 0.1324000 1.109000 
1 1 1  -52   20   14 o   3.7930   0.7999   3.2460   1.2610   4.3400   0.9850 -1.094000 1.600000 
1 1 1  -52   22    2 o   2.8020   0.9151   2.6640   1.2420   2.9390   1.3440 -0.2752000 1.830000 
1 1 1  -52   22    3 o   2.4990   0.7260   2.8860   1.1100   2.1110   0.9360 0.7746000 1.452000 
1 1 1  -52   22    4 o   2.6490   0.7243   2.4070   1.0220   2.8910   1.0270 -0.4843000 1.449000 
1 1 1  -52   22    5 o   2.2980   0.6404   1.6030   0.7812   2.9930   1.0150 -1.389000 1.281000 
1 1 1  -52   22    6 o   2.3580   0.9703  ?   ?    2.3580   0.9703      ?      ? 
1 1 1  -51    1    1 o   2.5390   0.5880   2.8810   0.8135   2.1970   0.8493 0.6833000 1.176000 
1 1 1  -51    1    2 o   6.4550   0.2878   6.3250   0.4434   6.5840   0.3671 -0.2592000 0.5756000 
1 1 1  -51    1    3 o   6.5610   0.2501   6.3920   0.4166   6.7310   0.2768 -0.3389000 0.5002000 
1 1 1  -51    1    4 o   6.7950   0.2670   7.4600   0.3133   6.1290   0.4323 1.331000 0.5339000 
1 1 1  -51    1    5 o   5.7160   0.2081   5.9860   0.3103   5.4470   0.2774 0.5389000 0.4162000 
1 1 1  -51    1    6 o   2.1590   0.8758  ?   ?    2.1590   0.8758      ?      ? 
1 1 1  -51    1    7 o   14.470   0.2137  ?   ?    14.470   0.2137      ?      ? 
1 1 1  -51    1    8 o   9.1400   0.2002   9.1870   0.3288   9.0930   0.2284 0.9331000E-01 0.4004000 
1 1 1  -51    1    9 o   14.650   0.2931   14.650   0.2931  ?   ?       ?      ? 
1 1 1  -51    1   10 o   6.5070   0.2897  ?   ?    6.5070   0.2897      ?      ? 
1 1 1  -51    1   11 o   8.2710   0.4395  ?   ?    8.2710   0.4395      ?      ? 
1 1 1  -51    1   12 o   10.710   0.3945  ?   ?    10.710   0.3945      ?      ? 
1 1 1  -51    1   13 o   9.6710   0.1336   9.7460   0.1735   9.5960   0.2032 0.1498000 0.2672000 
1 1 1  -51    1   14 o   6.3610   0.2190   6.7220   0.2983   6.0000   0.3207 0.7222000 0.4380000 
1 1 1  -51    1   15 o   12.290   0.1413   12.450   0.1814   12.120   0.2166 0.3330000 0.2826000 
1 1 1  -51    1   16 o   10.350   0.1620   10.510   0.2114   10.180   0.2456 0.3308000 0.3241000 
1 1 1  -51    1   17 o   13.830   0.1738   13.720   0.2306   13.940   0.2600 -0.2231000 0.3475000 
1 1 1  -51    1   18 o   6.9930   0.2933   7.3920   0.3352   6.5950   0.4813 0.7966000 0.5865000 
1 1 1  -51    1   19 o   8.0650   0.2178   7.7570   0.3022   8.3720   0.3138 -0.6148000 0.4356000 
1 1 1  -51    1   20 o   14.730   0.1635   14.770   0.2173   14.690   0.2445 0.8175000E-01 0.3271000 
1 1 1  -51    1   21 o   12.060   0.1849   12.390   0.2414   11.740   0.2800 0.6539000 0.3697000 
1 1 1  -51    1   22 o   8.9160   0.2318   8.9090   0.3066   8.9220   0.3478 -0.1310000E-01 0.4636000 
1 1 1  -51    1   23 o   3.0810   0.5818   3.4540   0.7517   2.7090   0.8883 0.7441000 1.164000 
1 1 1  -51    1   24 o   4.7300   0.4538   5.3010   0.5210   4.1580   0.7431 1.143000 0.9075000 
1 1 1  -51    1   25 o   11.540   0.2642   11.780   0.3315   11.300   0.4115 0.4764000 0.5284000 
1 1 1  -51    1   26 o   7.9270   0.3229   7.6770   0.4749   8.1770   0.4378 -0.5005000 0.6459000 
1 1 1  -51    1   27 o   8.9990   0.2840   8.9330   0.3823   9.0650   0.4202 -0.1317000 0.5681000 
1 1 1  -51    1   28 o   2.3350   0.6256   1.5830   0.7477   3.0860   1.0030 -1.503000 1.251000 
1 1 1  -51    3    1 o   14.520   0.2459  ?   ?    14.520   0.2459      ?      ? 
1 1 1  -51    3    2 o   4.9120   0.4372   3.7120   0.7746   6.1120   0.4056 -2.400000 0.8744000 
1 1 1  -51    3    3 o   7.2160   0.2492   6.8210   0.3831   7.6110   0.3188 -0.7902000 0.4984000 
1 1 1  -51    3    4 o   9.6850   0.1742   9.8970   0.2480   9.4730   0.2447 0.4247000 0.3484000 
1 1 1  -51    3    5 o   9.8960   0.3020   10.550   0.4836   9.2390   0.3619 1.314000 0.6040000 
1 1 1  -51    3    6 o   19.940   0.2468   19.920   0.4051   19.970   0.2822 -0.4646000E-01 0.4937000 
1 1 1  -51    3    7 o   13.010   0.2485   13.240   0.3988   12.790   0.2964 0.4540000 0.4969000 
1 1 1  -51    3    8 o   6.2420   0.4189   6.7270   0.6762   5.7580   0.4947 0.9687000 0.8379000 
1 1 1  -51    3    9 o   6.1040   0.3948   6.3670   0.6250   5.8410   0.4826 0.5258000 0.7896000 
1 1 1  -51    3   10 o   11.530   0.2482   10.980   0.4094   12.080   0.2807 -1.099000 0.4964000 
1 1 1  -51    3   11 o   8.6060   0.2392   8.6610   0.3272   8.5510   0.3490 0.1098000 0.4784000 
1 1 1  -51    3   12 o   11.060   0.2068   10.850   0.2935   11.270   0.2915 -0.4249000 0.4137000 
1 1 1  -51    3   13 o   8.2390   0.2512   8.3600   0.3473   8.1190   0.3631 0.2413000 0.5025000 
1 1 1  -51    3   14 o   9.5980   0.1904   9.6210   0.1836   9.5740   0.3336 0.4691000E-01 0.3808000 
1 1 1  -51    3   15 o   11.880   0.1847   11.940   0.2748   11.810   0.2468 0.1358000 0.3694000 
1 1 1  -51    3   16 o   5.1020   0.2857   5.1000   0.3949   5.1040   0.4130 -0.4598000E-02 0.5714000 
1 1 1  -51    3   17 o   1.9200   0.5329   1.8730   0.7418   1.9660   0.7652 -0.9316000E-01 1.066000 
1 1 1  -51    3   18 o   8.3560   0.2093   8.5890   0.2771   8.1230   0.3136 0.4663000 0.4185000 
1 1 1  -51    3   19 o   12.720   0.2108   12.510   0.2623   12.920   0.3300 -0.4056000 0.4216000 
1 1 1  -51    3   20 o   11.800   0.1830   11.900   0.2421   11.700   0.2745 0.2003000 0.3660000 
1 1 1  -51    3   21 o   11.870   0.1886   11.820   0.2479   11.920   0.2843 -0.1008000 0.3771000 
1 1 1  -51    3   22 o   7.3230   0.2785   7.3770   0.3661   7.2690   0.4198 0.1084000 0.5571000 
1 1 1  -51    3   23 o   2.1650   0.5912   1.6740   0.7519   2.6570   0.9127 -0.9834000 1.182000 
1 1 1  -51    3   24 o   2.5070   0.6775   2.2310   0.9049   2.7820   1.0090 -0.5515000 1.355000 
1 1 1  -51    3   25 o   4.3320   0.5220   3.8920   0.7816   4.7730   0.6922 -0.8807000 1.044000 
1 1 1  -51    3   26 f   2.6160   0.6789   2.4380   0.9580   2.7930   0.9623 -0.3553000 1.358000 
1 1 1  -51    3   27 o   11.180   0.2409   11.070   0.3274   11.280   0.3535 -0.2029000 0.4819000 
1 1 1  -51    3   28 o   15.710   0.2074   15.730   0.2805   15.680   0.3055 0.4999000E-01 0.4147000 
1 1 1  -51    5    1 o   13.900   0.1899   14.040   0.3048   13.750   0.2265 0.2889000 0.3797000 
1 1 1  -51    5    2 o   7.8710   0.2510   7.7120   0.4122   8.0310   0.2865 -0.3198000 0.5020000 
1 1 1  -51    5    3 o   11.550   0.1943   11.390   0.2828   11.710   0.2665 -0.3202000 0.3886000 
1 1 1  -51    5    4 o   2.3190   0.5117   2.3700   0.7677   2.2690   0.6768 0.1011000 1.023000 
1 1 1  -51    5    5 o   15.120   0.3120   15.020   0.4535   15.210   0.4287 -0.1899000 0.6241000 
1 1 1  -51    5    6 o   6.7880   0.5349   6.2020   0.8381   7.3740   0.6650 -1.172000 1.070000 
1 1 1  -51    5    7 o   4.9900   0.6764   5.5140   0.9057   4.4650   1.0050 1.050000 1.353000 
1 1 1  -51    5    8 o   13.620   0.3132   14.020   0.4600   13.230   0.4251 0.7919000 0.6264000 
1 1 1  -51    5    9 o   11.090   0.3441   11.480   0.5111   10.700   0.4607 0.7865000 0.6881000 
1 1 1  -51    5   10 o   15.240   0.2884   15.030   0.4236   15.440   0.3915 -0.4138000 0.5768000 
1 1 1  -51    5   11 o   3.9990   0.7482   3.8980   1.1050   4.1000   1.0090 -0.2021000 1.496000 
1 1 1  -51    5   12 o   11.070   0.3237   11.240   0.4692   10.900   0.4461 0.3316000 0.6474000 
1 1 1  -51    5   13 o   10.390   0.2478   10.100   0.3552   10.690   0.3458 -0.5917000 0.4957000 
1 1 1  -51    5   14 o   10.270   0.1442   10.380   0.1830   10.160   0.2229 0.2284000 0.2884000 
1 1 1  -51    5   15 o   5.0710   0.3072   5.2180   0.4369   4.9250   0.4321 0.2935000 0.6145000 
1 1 1  -51    5   16 o   14.670   0.1518   14.760   0.1991   14.580   0.2291 0.1732000 0.3035000 
1 1 1  -51    5   17 o   2.5760   0.4989   3.4150   0.6657   1.7370   0.7433 1.678000 0.9978000 
1 1 1  -51    5   18 o   2.5520   0.5768   2.6710   0.8142   2.4330   0.8173 0.2378000 1.154000 
1 1 1  -51    5   19 o   8.1550   0.2985   8.0350   0.3914   8.2760   0.4508 -0.2402000 0.5970000 
1 1 1  -51    5   20 o   6.7430   0.2883   6.6210   0.3946   6.8640   0.4204 -0.2428000 0.5766000 
1 1 1  -51    5   21 o   12.580   0.1877   12.590   0.2506   12.560   0.2794 0.3305000E-01 0.3754000 
1 1 1  -51    5   22 o   2.0750   0.5666   2.6340   0.8799   1.5160   0.7141 1.118000 1.133000 
1 1 1  -51    5   23 o   2.4850   0.6776   2.2900   0.9141   2.6800   1.0010 -0.3900000 1.355000 
1 1 1  -51    5   24 o   6.6410   0.3417   7.0850   0.4384   6.1980   0.5243 0.8868000 0.6834000 
1 1 1  -51    5   25 o   11.970   0.2200   12.160   0.2956   11.770   0.3259 0.3877000 0.4400000 
1 1 1  -51    5   26 o   10.390   0.2670   10.500   0.3906   10.280   0.3643 0.2141000 0.5341000 
1 1 1  -51    5   27 o   5.9230   0.4153   5.9510   0.5767   5.8940   0.5977 0.5678000E-01 0.8306000 
1 1 1  -51    5   28 o   3.6820   1.4320   3.6820   1.4320  ?   ?       ?      ? 
1 1 1  -51    7    1 o   12.230   0.1776   12.010   0.2616   12.450   0.2402 -0.4407000 0.3551000 
1 1 1  -51    7    2 o   21.270   0.1635   21.400   0.2403   21.130   0.2218 0.2710000 0.3270000 
1 1 1  -51    7    3 o   9.7150   0.2112   10.040   0.3368   9.3870   0.2551 0.6576000 0.4225000 
1 1 1  -51    7    4 o   3.8090   0.5074   3.4520   0.7861   4.1660   0.6416 -0.7140000 1.015000 
1 1 1  -51    7    5 o   7.0120   0.2278   7.0680   0.3288   6.9550   0.3153 0.1130000 0.4556000 
1 1 1  -51    7    6 o   5.7660   0.6220   6.0870   0.9777   5.4450   0.7690 0.6420000 1.244000 
1 1 1  -51    7    7 o   13.010   0.3139   13.230   0.5074   12.790   0.3699 0.4359000 0.6279000 
1 1 1  -51    7    8 o   6.2340   0.5316   6.7530   0.8036   5.7160   0.6961 1.037000 1.063000 
1 1 1  -51    7    9 o   4.4650   0.6191   4.2020   0.9055   4.7280   0.8444 -0.5256000 1.238000 
1 1 1  -51    7   10 o   10.650   0.2834   10.930   0.3895   10.370   0.4118 0.5656000 0.5668000 
1 1 1  -51    7   11 o   37.350   0.2979   37.420   0.4209   37.270   0.4216 0.1588000 0.5957000 
1 1 1  -51    7   12 o   19.170   0.2245   19.220   0.3124   19.110   0.3225 0.1030000 0.4490000 
1 1 1  -51    7   13 o   14.680   0.1506   14.670   0.2113   14.700   0.2146 -0.3261000E-01 0.3012000 
1 1 1  -51    7   14 o   6.9070   0.2376   6.8710   0.3505   6.9430   0.3207 -0.7221000E-01 0.4751000 
1 1 1  -51    7   15 o   7.5980   0.1945   7.3430   0.2926   7.8530   0.2565 -0.5098000 0.3891000 
1 1 1  -51    7   16 o   4.9940   0.3347   4.7050   0.4780   5.2820   0.4686 -0.5770000 0.6694000 
1 1 1  -51    7   17 f   6.3660   0.2851   6.6150   0.3651   6.1170   0.4380 0.4982000 0.5702000 
1 1 1  -51    7   18 o   4.5440   0.5308   4.2750   0.7075   4.8120   0.7914 -0.5374000 1.062000 
1 1 1  -51    7   19 o   14.200   0.1912   14.280   0.2764   14.120   0.2641 0.1569000 0.3823000 
1 1 1  -51    7   20 o   9.5750   0.2223   9.8860   0.2967   9.2640   0.3311 0.6219000 0.4446000 
1 1 1  -51    7   21 o   7.6870   0.3303   8.0770   0.4075   7.2970   0.5199 0.7799000 0.6605000 
1 1 1  -51    7   22 f   14.150   0.2213   14.010   0.2617   14.280   0.3570 -0.2684000 0.4426000 
1 1 1  -51    7   23 o   7.8400   0.2935   7.8370   0.4063   7.8420   0.4236 -0.4814000E-02 0.5869000 
1 1 1  -51    7   24 o   4.7160   0.4918   4.7290   0.6940   4.7030   0.6971 0.2609000E-01 0.9836000 
1 1 1  -51    7   25 o   9.7410   0.2592   9.4970   0.3671   9.9850   0.3661 -0.4886000 0.5184000 
1 1 1  -51    7   26 o   7.3320   0.3699   7.1060   0.5605   7.5580   0.4828 -0.4520000 0.7398000 
1 1 1  -51    7   27 o   11.870   0.2819   11.850   0.3903   11.890   0.4070 -0.3597000E-01 0.5639000 
1 1 1  -51    9    1 o   8.0850   0.3117   8.5820   0.4442   7.5880   0.4375 0.9943000 0.6234000 
1 1 1  -51    9    2 o   2.3090   0.5413   1.6520   0.7415   2.9660   0.7890 -1.314000 1.083000 
1 1 1  -51    9    3 o   19.380   0.1608   19.510   0.2389   19.250   0.2152 0.2659000 0.3215000 
1 1 1  -51    9    4 o   9.8660   0.1867   9.8740   0.2731   9.8570   0.2547 0.1714000E-01 0.3735000 
1 1 1  -51    9    5 o   17.250   0.1500   17.340   0.2199   17.170   0.2040 0.1609000 0.2999000 
1 1 1  -51    9    6 o   7.7080   0.4792   7.8790   0.8733   7.5370   0.3947 0.3421000 0.9583000 
1 1 1  -51    9    7 o   13.720   0.1842   13.670   0.2627   13.780   0.2582 -0.1125000 0.3683000 
1 1 1  -51    9    8 o   13.200   0.1794   12.980   0.2539   13.420   0.2535 -0.4379000 0.3588000 
1 1 1  -51    9    9 o   14.810   0.1449   14.830   0.2246   14.780   0.1830 0.4399000E-01 0.2898000 
1 1 1  -51    9   10 o   7.4070   0.1928   7.7980   0.3003   7.0160   0.2418 0.7823000 0.3855000 
1 1 1  -51    9   11 o   11.250   0.1787   11.450   0.2454   11.040   0.2599 0.4116000 0.3575000 
1 1 1  -51    9   12 o   6.3670   0.2760   5.9870   0.4033   6.7470   0.3769 -0.7608000 0.5520000 
1 1 1  -51    9   13 o   12.120   0.1467   12.070   0.2091   12.170   0.2057 -0.1077000 0.2934000 
1 1 1  -51    9   14 o   14.460   0.1461   14.080   0.2089   14.850   0.2043 -0.7631000 0.2922000 
1 1 1  -51    9   15 o   11.120   0.1675   11.150   0.2412   11.100   0.2325 0.5069000E-01 0.3350000 
1 1 1  -51    9   16 o   13.090   0.1590   13.130   0.2294   13.050   0.2203 0.8733000E-01 0.3181000 
1 1 1  -51    9   17 o   3.8900   0.6167   2.7720   0.9287   5.0090   0.8115 -2.237000 1.233000 
1 1 1  -51    9   18 o   6.7660   0.3609   7.2390   0.5429   6.2930   0.4757 0.9460000 0.7219000 
1 1 1  -51    9   19 f   2.3500   0.6489   1.9640   0.8415   2.7360   0.9880 -0.7715000 1.298000 
1 1 1  -51    9   20 o   3.1010   0.5894   2.4000   0.8722   3.8030   0.7930 -1.403000 1.179000 
1 1 1  -51    9   21 o   11.120   0.2193   10.870   0.3024   11.380   0.3176 -0.5099000 0.4386000 
1 1 1  -51    9   22 o   9.2010   0.2617   9.1030   0.3547   9.2990   0.3849 -0.1965000 0.5234000 
1 1 1  -51    9   23 o   6.0300   0.3897   5.7960   0.5478   6.2640   0.5544 -0.4681000 0.7794000 
1 1 1  -51    9   24 o   8.4050   0.2963   8.0010   0.4206   8.8090   0.4176 -0.8085000 0.5927000 
1 1 1  -51    9   25 o   12.130   0.2648   12.010   0.3713   12.250   0.3777 -0.2421000 0.5296000 
1 1 1  -51    9   26 o   4.6840   0.5935   5.5510   0.7357   3.8180   0.9316 1.733000 1.187000 
1 1 1  -51   11    1 f   8.4160   0.2801   8.5340   0.4141   8.2990   0.3774 0.2356000 0.5603000 
1 1 1  -51   11    2 o   5.0100   0.5857   4.9770   0.9350   5.0440   0.7056 -0.6681000E-01 1.171000 
1 1 1  -51   11    3 o   2.8840   0.7222   3.1440   1.1140   2.6240   0.9197 0.5197000 1.444000 
1 1 1  -51   11    4 o   10.980   0.1966   11.020   0.2911   10.940   0.2645 0.7814000E-01 0.3933000 
1 1 1  -51   11    5 o   8.1810   0.2334   8.3820   0.3409   7.9790   0.3188 0.4029000 0.4667000 
1 1 1  -51   11    6 o   8.7240   0.2183   8.5960   0.3257   8.8510   0.2907 -0.2550000 0.4366000 
1 1 1  -51   11    7 f   15.080   0.1909   15.120   0.3114   15.040   0.2211 0.8410000E-01 0.3819000 
1 1 1  -51   11    8 o   6.5770   0.2825   6.7100   0.4371   6.4450   0.3579 0.2644000 0.5650000 
1 1 1  -51   11    9 o   3.1960   0.5509   3.0500   0.8652   3.3410   0.6821 -0.2908000 1.102000 
1 1 1  -51   11   10 o   2.8670   0.5649   2.4530   0.8789   3.2810   0.7100 -0.8283000 1.130000 
1 1 1  -51   11   11 o   8.5970   0.2318   8.5260   0.3644   8.6690   0.2865 -0.1432000 0.4635000 
1 1 1  -51   11   12 o   3.3910   0.5410   3.6690   0.7895   3.1130   0.7398 0.5562000 1.082000 
1 1 1  -51   11   13 o   8.8810   0.2315   8.9580   0.3567   8.8040   0.2951 0.1547000 0.4629000 
1 1 1  -51   11   14 o   10.110   0.2504   10.090   0.4003   10.130   0.3008 -0.3724000E-01 0.5007000 
1 1 1  -51   11   15 o   9.3970   0.2977   9.6720   0.4154   9.1220   0.4266 0.5495000 0.5954000 
1 1 1  -51   11   16 o   2.6020   0.6867   2.1980   0.9381   3.0060   1.0030 -0.8076000 1.373000 
1 1 1  -51   11   17 o   13.360   0.1742   13.380   0.2520   13.340   0.2405 0.4100000E-01 0.3483000 
1 1 1  -51   11   18 o   2.5590   0.5931   2.2490   0.8635   2.8700   0.8133 -0.6206000 1.186000 
1 1 1  -51   11   19 o   8.1180   0.2765   8.1940   0.3654   8.0430   0.4152 0.1517000 0.5531000 
1 1 1  -51   11   20 o   2.9560   0.6532   2.7640   0.8988   3.1480   0.9481 -0.3840000 1.306000 
1 1 1  -51   11   21 o   12.390   0.2202   12.510   0.2907   12.270   0.3308 0.2400000 0.4403000 
1 1 1  -51   11   22 o   6.8120   0.3496   6.3920   0.5022   7.2320   0.4866 -0.8392000 0.6993000 
1 1 1  -51   11   23 o   8.9780   0.3221   9.2890   0.4295   8.6670   0.4800 0.6227000 0.6441000 
1 1 1  -51   11   24 o   2.9970   0.6867   3.0890   0.9589   2.9060   0.9832 0.1833000 1.373000 
1 1 1  -51   11   25 o   2.3750   0.6857   2.3020   0.9718   2.4470   0.9676 -0.1454000 1.371000 
1 1 1  -51   13    1 o   9.1290   0.2592   9.0540   0.3898   9.2030   0.3418 -0.1497000 0.5184000 
1 1 1  -51   13    2 o   2.8420   0.6353   2.5830   0.9283   3.1010   0.8677 -0.5174000 1.271000 
1 1 1  -51   13    3 o   2.1400   0.5901   2.7390   0.9349   1.5420   0.7204 1.198000 1.180000 
1 1 1  -51   13    4 o   13.300   0.1925   13.270   0.2871   13.340   0.2566 -0.7560000E-01 0.3850000 
1 1 1  -51   13    5 o   5.7080   0.3546   5.6480   0.5347   5.7670   0.4660 -0.1190000 0.7093000 
1 1 1  -51   13    6 o   2.0670   0.6329   2.0990   0.9306   2.0340   0.8580 0.6500000E-01 1.266000 
1 1 1  -51   13    7 o   4.5460   0.5690   4.5960   0.8931   4.4960   0.7051 0.9985000E-01 1.138000 
1 1 1  -51   13    8 o   7.7560   0.3038   7.8730   0.4386   7.6390   0.4204 0.2339000 0.6075000 
1 1 1  -51   13    9 o   13.180   0.2116   13.240   0.3024   13.120   0.2960 0.1152000 0.4231000 
1 1 1  -51   13   10 o   11.740   0.2290   11.810   0.3292   11.660   0.3184 0.1543000 0.4580000 
1 1 1  -51   13   11 o   14.570   0.2086   14.600   0.3001   14.530   0.2899 0.7353000E-01 0.4173000 
1 1 1  -51   13   12 o   10.850   0.2419   10.730   0.3581   10.980   0.3252 -0.2466000 0.4838000 
1 1 1  -51   13   13 o   6.4320   0.3368   6.3820   0.5326   6.4830   0.4125 -0.1003000 0.6737000 
1 1 1  -51   13   14 o   12.360   0.2093   12.140   0.3301   12.590   0.2575 -0.4515000 0.4187000 
1 1 1  -51   13   15 o   6.9630   0.3337   6.3030   0.5580   7.6240   0.3660 -1.321000 0.6673000 
1 1 1  -51   13   16 o   8.5360   0.2824   7.8270   0.4640   9.2450   0.3220 -1.418000 0.5647000 
1 1 1  -51   13   17 o   7.9190   0.3007   8.0130   0.4676   7.8240   0.3782 0.1890000 0.6014000 
1 1 1  -51   13   18 o   8.4800   0.2907   8.9150   0.4434   8.0460   0.3760 0.8689000 0.5814000 
1 1 1  -51   13   19 o   5.7670   0.4347   5.3580   0.7181   6.1750   0.4900 -0.8165000 0.8693000 
1 1 1  -51   13   20 o   2.9010   0.7358   2.4060   1.0430   3.3950   1.0380 -0.9890000 1.472000 
1 1 1  -51   13   21 o   6.9220   0.3889   6.8980   0.5587   6.9460   0.5412 -0.4799000E-01 0.7779000 
1 1 1  -51   13   22 o   8.4380   0.3077   8.2910   0.4168   8.5850   0.4526 -0.2941000 0.6153000 
1 1 1  -51   13   23 o   2.1210   0.6423   1.9300   0.8560   2.3120   0.9577 -0.3821000 1.285000 
1 1 1  -51   13   24 o   1.9660   0.6346   1.9570   0.9011   1.9760   0.8937 -0.1972000E-01 1.269000 
1 1 1  -51   15    1 o   4.3540   0.5796   5.1570   0.7086   3.5520   0.9173 1.604000 1.159000 
1 1 1  -51   15    2 o   4.3380   0.5554   5.4860   0.6474   3.1900   0.9027 2.297000 1.111000 
1 1 1  -51   15    3 o   4.2810   0.5544   3.6210   0.9131   4.9410   0.6291 -1.320000 1.109000 
1 1 1  -51   15    4 o   9.3860   0.2622   9.7160   0.3789   9.0550   0.3625 0.6609000 0.5244000 
1 1 1  -51   15    5 o   2.2990   0.6405   2.4650   0.9428   2.1330   0.8672 0.3319000 1.281000 
1 1 1  -51   15    6 o   9.3950   0.2515   9.4010   0.3741   9.3890   0.3363 0.1260000E-01 0.5031000 
1 1 1  -51   15    7 o   3.9920   0.5684   5.1480   0.6978   2.8360   0.8975 2.313000 1.137000 
1 1 1  -51   15    8 o   4.6750   0.4930   4.8780   0.7464   4.4730   0.6443 0.4050000 0.9860000 
1 1 1  -51   15    9 o   6.5370   0.3675   6.8490   0.5641   6.2250   0.4711 0.6246000 0.7349000 
1 1 1  -51   15   10 o   3.5030   0.6124   2.8800   1.0100   4.1270   0.6926 -1.248000 1.225000 
1 1 1  -51   15   11 o   2.7160   0.6173   2.0820   0.9071   3.3500   0.8374 -1.268000 1.235000 
1 1 1  -51   15   12 o   3.5010   0.6475   3.3350   1.0090   3.6660   0.8123 -0.3310000 1.295000 
1 1 1  -51   15   13 f   7.8030   0.3121   7.7980   0.4764   7.8080   0.4031 -0.9860000E-02 0.6241000 
1 1 1  -51   15   14 o   4.7640   0.5337   3.9180   0.9322   5.6100   0.5198 -1.691000 1.067000 
1 1 1  -51   15   15 o   2.0230   0.6347   2.5680   1.0510   1.4770   0.7116 1.091000 1.269000 
1 1 1  -51   15   16 o   2.7090   0.6428   1.9300   0.9045   3.4890   0.9137 -1.559000 1.286000 
1 1 1  -51   15   17 o   7.6960   0.3876   7.3790   0.6431   8.0140   0.4329 -0.6353000 0.7752000 
1 1 1  -51   15   18 o   5.3390   0.4659   5.7150   0.6672   4.9630   0.6506 0.7526000 0.9319000 
1 1 1  -51   15   19 o   8.1540   0.3214   8.4590   0.4866   7.8490   0.4199 0.6101000 0.6428000 
1 1 1  -51   15   20 o   3.0870   0.6886   3.5560   1.0160   2.6190   0.9292 0.9368000 1.377000 
1 1 1  -51   15   21 o   2.9060   0.6964   3.3950   1.0420   2.4160   0.9235 0.9788000 1.393000 
1 1 1  -51   15   22 o   5.4140   0.6183   5.2190   1.0150   5.6090   0.7067 -0.3897000 1.237000 
1 1 1  -51   17    1 o   3.6430   0.6270   2.5600   0.9926   4.7260   0.7665 -2.166000 1.254000 
1 1 1  -51   17    2 o   4.3990   0.5783   4.5400   0.8389   4.2570   0.7961 0.2837000 1.157000 
1 1 1  -51   17    3 o   2.1320   0.6327   2.4650   0.9703   1.7990   0.8123 0.6658000 1.265000 
1 1 1  -51   17    4 o   3.3010   0.6511   2.6920   0.9937   3.9090   0.8418 -1.217000 1.302000 
1 1 1  -51   17    5 o   5.7240   0.4282   5.4030   0.6751   6.0460   0.5269 -0.6435000 0.8563000 
1 1 1  -51   17    6 o   2.8680   0.5677   1.7760   0.8325   3.9600   0.7721 -2.184000 1.135000 
1 1 1  -51   17    7 o   2.1580   0.6123   1.8660   0.8221   2.4510   0.9076 -0.5847000 1.225000 
1 1 1  -51   17    8 o   6.4280   0.3899   6.8410   0.5822   6.0140   0.5186 0.8274000 0.7797000 
1 1 1  -51   17    9 o   10.040   0.2768   10.250   0.4325   9.8290   0.3455 0.4248000 0.5536000 
1 1 1  -51   17   10 o   3.0510   0.5856   1.9910   0.9008   4.1100   0.7486 -2.119000 1.171000 
1 1 1  -51   17   11 o   2.9830   0.6025   2.0210   0.9100   3.9460   0.7898 -1.925000 1.205000 
1 1 1  -51   17   12 o   8.5920   0.3093   8.5310   0.4897   8.6520   0.3779 -0.1209000 0.6185000 
1 1 1  -51   17   13 o   2.5780   0.6837   2.9020   1.0380   2.2530   0.8906 0.6490000 1.367000 
1 1 1  -51   17   14 o   2.4890   0.6817   2.7080   1.0170   2.2710   0.9076 0.4368000 1.363000 
1 1 1  -51   17   15 o   3.0250   0.6985   3.4200   1.0260   2.6290   0.9478 0.7908000 1.397000 
1 1 1  -51   17   16 o   1.8580   0.5924   2.3180   0.9697   1.3980   0.6808 0.9195000 1.185000 
1 1 1  -51   17   17 o   3.0210   0.6993   3.0510   1.0430   2.9920   0.9322 0.5849000E-01 1.399000 
1 1 1  -51   17   18 o   3.6770   0.6775   3.8680   1.0120   3.4850   0.9012 0.3827000 1.355000 
1 1 1  -51   17   19 o   5.8940   0.5728   6.3690   0.8485   5.4190   0.7698 0.9500000 1.146000 
1 1 1  -51   17   20 o   2.1500   0.6869   2.1220   0.9877   2.1770   0.9548 -0.5553000E-01 1.374000 
1 1 1  -51   19    1 o   5.6550   0.5038   5.4120   0.7701   5.8980   0.6498 -0.4861000 1.008000 
1 1 1  -51   19    2 o   4.8680   0.7083   5.8640   0.8755   3.8730   1.1140 1.991000 1.417000 
1 1 1  -51   19    3 o   3.0770   0.7971   3.0220   1.1440   3.1330   1.1100 -0.1115000 1.594000 
1 1 1  -51   19    4 f   3.5600   0.8029   3.5490   1.1750   3.5710   1.0950 -0.2267000E-01 1.606000 
1 1 1  -51   19    5 o   5.0650   0.6225   6.0160   0.6614   4.1130   1.0550 1.903000 1.245000 
1 1 1  -51   19    6 o   3.0200   0.7046   2.8750   1.0430   3.1640   0.9471 -0.2890000 1.409000 
1 1 1  -51   19    7 o   6.6030   0.3737   7.0000   0.5089   6.2070   0.5474 0.7936000 0.7474000 
1 1 1  -51   19    8 o   2.1620   0.6557   2.7670   1.0810   1.5570   0.7426 1.210000 1.311000 
1 1 1  -51   19    9 o   6.4010   0.5104   5.0090   0.9204   7.7930   0.4414 -2.783000 1.021000 
1 1 1  -51   19   10 o   1.5540   0.5301   1.5570   0.7627   1.5510   0.7365 0.6114000E-02 1.060000 
1 1 1  -51   19   11 o   2.7540   0.6954   2.4890   1.0260   3.0190   0.9383 -0.5298000 1.391000 
1 1 1  -51   19   12 o   10.470   0.2896   10.170   0.4698   10.760   0.3387 -0.5921000 0.5791000 
1 1 1  -51   19   13 o   6.0770   0.4863   5.4690   0.8328   6.6850   0.5023 -1.216000 0.9726000 
1 1 1  -51   19   14 o   2.1800   0.6795   2.2390   0.9773   2.1210   0.9444 0.1178000 1.359000 
1 1 1  -51   19   15 o   4.0770   0.8055   3.8260   1.2620   4.3290   1.0020 -0.5033000 1.611000 
1 1 1  -51   19   16 o   3.1000   0.8102   2.9760   1.1870   3.2250   1.1030 -0.2487000 1.620000 
1 1 1  -51   19   17 o   2.5410   0.7390   2.6430   1.1250   2.4400   0.9591 0.2026000 1.478000 
1 1 1  -51   21    1 o   1.8180   0.6053   1.8560   0.8780   1.7790   0.8335 0.7707000E-01 1.211000 
1 1 1  -51   21    2 o   3.8070   0.7287   4.2300   1.0330   3.3840   1.0280 0.8466000 1.457000 
1 1 1  -51   21    3 o   6.4360   0.4613   6.4760   0.6902   6.3970   0.6123 0.7941000E-01 0.9226000 
1 1 1  -51   21    4 o   2.4810   0.7098   2.5480   1.0270   2.4140   0.9802 0.1338000 1.420000 
1 1 1  -51   21    5 o   2.5900   0.7071   2.3120   0.9919   2.8690   1.0080 -0.5570000 1.414000 
1 1 1  -51   21    6 o   2.4520   0.6888   3.0840   1.0840   1.8190   0.8497 1.264000 1.378000 
1 1 1  -51   21    7 o   2.6930   0.6508   3.5930   1.0040   1.7930   0.8287 1.800000 1.302000 
1 1 1  -51   21    8 o   2.1110   0.6671   2.4410   1.0490   1.7810   0.8249 0.6599000 1.334000 
1 1 1  -51   21    9 f   2.7940   0.7128   2.3750   1.0250   3.2130   0.9903 -0.8381000 1.426000 
1 1 1  -51   21   10 o   1.7860   0.5907   2.2550   0.9830   1.3160   0.6554 0.9391000 1.181000 
1 1 1  -51   21   11 o   4.4260   0.6447   3.4140   1.1040   5.4390   0.6665 -2.025000 1.289000 
1 1 1  -51   21   12 o   2.1420   0.6176   1.4970   0.7433   2.7880   0.9865 -1.292000 1.235000 
1 1 1  -51   21   13 o   2.8360   0.8340   3.6820   1.3760   1.9890   0.9428 1.693000 1.668000 
1 1 1  -50    0    1 o   5.4100   0.4733   5.4100   0.4733   5.4100   0.4733 -0.000000 0.000000 
1 1 1  -50    0    2 o   10.230   0.2589   10.230   0.2589   10.230   0.2589 -0.000000 0.000000 
1 1 1  -50    0    3 o   9.9850   0.2115   9.9850   0.2115   9.9850   0.2115 -0.000000 0.000000 
1 1 1  -50    0    4 o   7.5700   0.2951   7.5700   0.2951   7.5700   0.2951 -0.000000 0.000000 
1 1 1  -50    0    5 o   17.160   0.1806   17.160   0.1806   17.160   0.1806 -0.000000 0.000000 
1 1 1  -50    0    6 o   11.000   0.1418   11.000   0.1418   11.000   0.1418 -0.000000 0.000000 
1 1 1  -50    0    7 o   16.720   0.2856   16.720   0.2856   16.720   0.2856 -0.000000 0.000000 
1 1 1  -50    0    8 o   7.8160   0.2396   7.8160   0.2396   7.8160   0.2396 -0.000000 0.000000 
1 1 1  -50    0    9 o   0.8519   0.5779   0.8519   0.5779   0.8519   0.5779 -0.000000 0.000000 
1 1 1  -50    0   10 o   1.5380   0.8282   1.5380   0.8282   1.5380   0.8282 -0.000000 0.000000 
1 1 1  -50    0   11 o   10.390   0.2064   10.390   0.2064   10.390   0.2064 -0.000000 0.000000 
1 1 1  -50    0   12 o   9.5350   0.1875   9.5350   0.1875   9.5350   0.1875 -0.000000 0.000000 
1 1 1  -50    0   13 o   11.710   0.2407   11.710   0.2407   11.710   0.2407 -0.000000 0.000000 
1 1 1  -50    0   14 o   14.340   0.1691   14.340   0.1691   14.340   0.1691 -0.000000 0.000000 
1 1 1  -50    0   15 f   5.3480   0.3393   5.3480   0.3393   5.3480   0.3393 -0.000000 0.000000 
1 1 1  -50    0   16 o   13.350   0.1917   13.350   0.1917   13.350   0.1917 -0.000000 0.000000 
1 1 1  -50    0   17 o   1.1620   0.7866   1.1620   0.7866   1.1620   0.7866 -0.000000 0.000000 
1 1 1  -50    0   18 o   12.590   0.2351   12.590   0.2351   12.590   0.2351 -0.000000 0.000000 
1 1 1  -50    0   19 o   12.090   0.2210   12.090   0.2210   12.090   0.2210 -0.000000 0.000000 
1 1 1  -50    0   20 o   11.310   0.2406   11.310   0.2406   11.310   0.2406 -0.000000 0.000000 
1 1 1  -50    0   21 o   4.9910   0.4923   4.9910   0.4923   4.9910   0.4923 -0.000000 0.000000 
1 1 1  -50    0   22 o   9.1590   0.2960   9.1590   0.2960   9.1590   0.2960 -0.000000 0.000000 
1 1 1  -50    0   23 o   1.3530   0.8565   1.3530   0.8565   1.3530   0.8565 -0.000000 0.000000 
1 1 1  -50    0   24 o   4.8950   0.5889   4.8950   0.5889   4.8950   0.5889 -0.000000 0.000000 
1 1 1  -50    0   25 o   10.720   0.4231   10.720   0.4231   10.720   0.4231 -0.000000 0.000000 
1 1 1  -50    0   26 o   1.1920   0.8253   1.1920   0.8253   1.1920   0.8253 -0.000000 0.000000 
1 1 1  -50    0   27 o   5.5450   0.6635   5.5450   0.6635   5.5450   0.6635 -0.000000 0.000000 
1 1 1  -50    0   28 o   6.6840   0.5961   6.6840   0.5961   6.6840   0.5961 -0.000000 0.000000 
1 1 1  -50    2    1 o   8.9820   0.2682   9.3060   0.3528   8.6580   0.4040 0.6473000 0.5363000 
1 1 1  -50    2    2 o   9.5550   0.2081   9.1760   0.3380   9.9330   0.2429 -0.7569000 0.4162000 
1 1 1  -50    2    3 o   11.330   0.1790   11.020   0.2747   11.650   0.2295 -0.6360000 0.3579000 
1 1 1  -50    2    4 o   16.340   0.1394   16.210   0.1874   16.460   0.2063 -0.2450000 0.2787000 
1 1 1  -50    2    5 o   20.480   0.2401   20.780   0.3969   20.190   0.2704 0.5978000 0.4802000 
1 1 1  -50    2    6 o   10.420   0.2557   10.710   0.4158   10.120   0.2979 0.5932000 0.5115000 
1 1 1  -50    2    7 o   3.2800   0.6181   4.1840   0.9013   2.3760   0.8462 1.808000 1.236000 
1 1 1  -50    2    8 o   5.8930   0.5164   6.7500   0.5249   5.0370   0.8895 1.712000 1.033000 
1 1 1  -50    2    9 o   16.500   0.2501   16.590   0.3368   16.410   0.3699 0.1843000 0.5003000 
1 1 1  -50    2   10 o   18.320   0.2120   18.190   0.3416   18.450   0.2512 -0.2654000 0.4240000 
1 1 1  -50    2   11 o   14.130   0.1732   13.880   0.2383   14.390   0.2513 -0.5107000 0.3463000 
1 1 1  -50    2   12 f   4.4810   0.4029   4.6000   0.5424   4.3630   0.5958 0.2367000 0.8057000 
1 1 1  -50    2   13 o   7.6760   0.2211   7.8250   0.2450   7.5270   0.3682 0.2980000 0.4422000 
1 1 1  -50    2   14 f   13.740   0.1419   13.830   0.2010   13.650   0.2004 0.1816000 0.2838000 
1 1 1  -50    2   15 o   5.3570   0.2620   4.9080   0.3833   5.8060   0.3571 -0.8982000 0.5239000 
1 1 1  -50    2   16 o   7.4710   0.2400   7.9260   0.3057   7.0150   0.3700 0.9108000 0.4799000 
1 1 1  -50    2   17 f   4.6020   0.3367   4.7200   0.4396   4.4840   0.5102 0.2357000 0.6734000 
1 1 1  -50    2   18 o   9.2350   0.2440   9.0820   0.2974   9.3890   0.3868 -0.3075000 0.4879000 
1 1 1  -50    2   19 o   9.3110   0.2024   9.7610   0.2584   8.8600   0.3115 0.9013000 0.4047000 
1 1 1  -50    2   20 o   7.0110   0.2638   7.6200   0.3239   6.4010   0.4165 1.218000 0.5277000 
1 1 1  -50    2   21 o   23.970   0.1745   23.900   0.2279   24.050   0.2644 -0.1524000 0.3491000 
1 1 1  -50    2   22 o   6.4400   0.3114   6.4100   0.4102   6.4700   0.4687 -0.6046000E-01 0.6229000 
1 1 1  -50    2   23 f   6.9900   0.2971   6.6860   0.4188   7.2930   0.4216 -0.6071000 0.5942000 
1 1 1  -50    2   24 o   3.7220   0.5699   4.6960   0.6736   2.7480   0.9194 1.947000 1.140000 
1 1 1  -50    2   25 o   5.5400   0.4900   5.8390   0.5792   5.2410   0.7906 0.5975000 0.9801000 
1 1 1  -50    2   26 o   12.080   0.2408   11.830   0.3490   12.330   0.3318 -0.4930000 0.4815000 
1 1 1  -50    2   27 o   11.530   0.2374   11.850   0.3097   11.210   0.3599 0.6347000 0.4748000 
1 1 1  -50    2   28 o   4.2780   0.5910   4.9130   0.6900   3.6440   0.9598 1.269000 1.182000 
1 1 1  -50    4    1 o   6.5460   0.3105   6.3440   0.5000   6.7480   0.3683 -0.4036000 0.6210000 
1 1 1  -50    4    2 o   11.330   0.1898   11.380   0.3070   11.290   0.2231 0.8972000E-01 0.3796000 
1 1 1  -50    4    3 o   5.7690   0.3246   5.7930   0.4454   5.7460   0.4721 0.4702000E-01 0.6491000 
1 1 1  -50    4    4 f   6.4890   0.2415   6.5380   0.3092   6.4410   0.3709 0.9622000E-01 0.4829000 
1 1 1  -50    4    5 o   6.4750   0.4885   6.4330   0.7841   6.5160   0.5828 -0.8358000E-01 0.9770000 
1 1 1  -50    4    6 o   14.050   0.2671   14.080   0.4339   14.030   0.3116 0.5074000E-01 0.5342000 
1 1 1  -50    4    7 o   14.880   0.2528   14.730   0.4145   15.030   0.2897 -0.3012000 0.5057000 
1 1 1  -50    4    8 o   8.6720   0.3448   8.9980   0.5590   8.3470   0.4039 0.6506000 0.6896000 
1 1 1  -50    4    9 o   13.920   0.2535   13.910   0.4156   13.920   0.2904 -0.1006000E-01 0.5070000 
1 1 1  -50    4   10 o   21.150   0.2027   21.640   0.2873   20.650   0.2859 0.9877000 0.4053000 
1 1 1  -50    4   11 o   9.7160   0.2400   9.1670   0.3511   10.270   0.3272 -1.098000 0.4799000 
1 1 1  -50    4   12 o   3.8400   0.5612   3.1010   0.8913   4.5790   0.6820 -1.477000 1.122000 
1 1 1  -50    4   13 o   3.4270   0.5827   3.5540   1.0780   3.3000   0.4430 0.2537000 1.165000 
1 1 1  -50    4   14 o   8.4690   0.1762   8.5430   0.2317   8.3950   0.2655 0.1481000 0.3524000 
1 1 1  -50    4   15 o   7.7720   0.2091   7.8360   0.3064   7.7080   0.2846 0.1287000 0.4182000 
1 1 1  -50    4   16 o   10.710   0.1682   10.820   0.2287   10.590   0.2467 0.2312000 0.3364000 
1 1 1  -50    4   17 o   2.9870   0.5324   2.7310   0.7857   3.2440   0.7187 -0.5129000 1.065000 
1 1 1  -50    4   18 o   11.890   0.2104   12.000   0.2293   11.780   0.3528 0.2187000 0.4208000 
1 1 1  -50    4   19 o   21.050   0.2031   21.180   0.2522   20.920   0.3185 0.2638000 0.4062000 
1 1 1  -50    4   20 o   15.500   0.1673   15.590   0.2205   15.410   0.2518 0.1771000 0.3347000 
1 1 1  -50    4   21 o   2.5850   0.5957   2.1290   0.8231   3.0420   0.8613 -0.9133000 1.191000 
1 1 1  -50    4   22 o   9.6450   0.2279   9.6010   0.3089   9.6890   0.3352 -0.8821000E-01 0.4558000 
1 1 1  -50    4   23 o   3.8800   0.5683   3.4550   0.8844   4.3040   0.7139 -0.8483000 1.137000 
1 1 1  -50    4   24 o   2.2200   0.6278   1.5670   0.7449   2.8730   1.0110 -1.306000 1.256000 
1 1 1  -50    4   25 o   7.3900   0.3159   7.1970   0.4411   7.5840   0.4523 -0.3868000 0.6318000 
1 1 1  -50    4   26 o   2.6300   0.6549   2.0110   0.8938   3.2490   0.9575 -1.237000 1.310000 
1 1 1  -50    4   27 o   6.7210   0.3681   6.5500   0.5153   6.8920   0.5258 -0.3429000 0.7362000 
1 1 1  -50    4   28 o   3.0440   0.7451   2.8400   1.0390   3.2480   1.0680 -0.4077000 1.490000 
1 1 1  -50    6    1 o   4.1590   0.5091   4.2010   0.8149   4.1170   0.6105 0.8350000E-01 1.018000 
1 1 1  -50    6    2 o   7.9710   0.2600   8.0890   0.4189   7.8540   0.3080 0.2344000 0.5200000 
1 1 1  -50    6    3 o   6.6240   0.3186   6.9660   0.4333   6.2810   0.4672 0.6846000 0.6372000 
1 1 1  -50    6    4 o   8.5770   0.1969   8.2940   0.3211   8.8590   0.2280 -0.5656000 0.3938000 
1 1 1  -50    6    5 o   14.300   0.2704   13.790   0.4970   14.810   0.2133 -1.020000 0.5409000 
1 1 1  -50    6    6 o   10.390   0.3482   10.430   0.5651   10.360   0.4070 0.6629000E-01 0.6964000 
1 1 1  -50    6    7 o   7.5770   0.4299   7.9010   0.6721   7.2540   0.5363 0.6468000 0.8599000 
1 1 1  -50    6    8 f   2.8810   0.7642   3.2080   1.1670   2.5530   0.9866 0.6555000 1.528000 
1 1 1  -50    6    9 o   9.4720   0.2897   9.6560   0.4002   9.2890   0.4190 0.3671000 0.5794000 
1 1 1  -50    6   10 o   11.250   0.2534   11.090   0.3531   11.400   0.3635 -0.3043000 0.5068000 
1 1 1  -50    6   11 o   4.6430   0.5411   4.8600   0.7092   4.4250   0.8174 0.4346000 1.082000 
1 1 1  -50    6   12 o   21.910   0.2213   21.880   0.3091   21.950   0.3169 -0.7037000E-01 0.4427000 
1 1 1  -50    6   13 o   10.350   0.2220   9.7150   0.3870   10.990   0.2176 -1.272000 0.4440000 
1 1 1  -50    6   14 o   17.270   0.1551   17.300   0.2198   17.240   0.2189 0.6031000E-01 0.3102000 
1 1 1  -50    6   15 o   6.8890   0.2261   6.6630   0.3108   7.1150   0.3283 -0.4519000 0.4521000 
1 1 1  -50    6   16 o   13.200   0.1752   13.320   0.2126   13.090   0.2787 0.2271000 0.3505000 
1 1 1  -50    6   17 o   18.310   0.1562   18.300   0.2086   18.320   0.2325 -0.1271000E-01 0.3124000 
1 1 1  -50    6   18 o   8.7970   0.2820   8.7880   0.3515   8.8060   0.4411 -0.1786000E-01 0.5640000 
1 1 1  -50    6   19 o   8.6660   0.2263   8.4260   0.3202   8.9060   0.3199 -0.4794000 0.4527000 
1 1 1  -50    6   20 o   13.940   0.1812   13.860   0.2464   14.010   0.2657 -0.1473000 0.3623000 
1 1 1  -50    6   21 o   6.3940   0.3243   6.3310   0.4401   6.4560   0.4764 -0.1250000 0.6485000 
1 1 1  -50    6   22 o   5.2540   0.4839   5.1860   0.6274   5.3210   0.7368 -0.1345000 0.9677000 
1 1 1  -50    6   23 o   9.2180   0.2463   9.0640   0.3391   9.3730   0.3574 -0.3090000 0.4926000 
1 1 1  -50    6   24 o   8.3620   0.2720   8.6070   0.3664   8.1180   0.4022 0.4888000 0.5441000 
1 1 1  -50    6   25 o   2.4530   0.6528   2.2210   0.8946   2.6840   0.9509 -0.4634000 1.306000 
1 1 1  -50    6   26 o   5.2860   0.4968   4.8130   0.7993   5.7600   0.5904 -0.9471000 0.9937000 
1 1 1  -50    6   27 o   6.8100   0.4257   6.9860   0.5927   6.6350   0.6112 0.3510000 0.8514000 
1 1 1  -50    6   28 o   2.1420   0.6325   2.5980   0.9801   1.6860   0.7998 0.9117000 1.265000 
1 1 1  -50    8    1 o   3.9030   0.4891   3.6640   0.7432   4.1410   0.6359 -0.4769000 0.9781000 
1 1 1  -50    8    2 o   2.0090   0.5340   2.5990   0.8379   1.4200   0.6623 1.179000 1.068000 
1 1 1  -50    8    3 o   11.090   0.1743   10.860   0.2569   11.330   0.2358 -0.4772000 0.3487000 
1 1 1  -50    8    4 f   15.560   0.1488   15.520   0.2173   15.610   0.2034 -0.8531000E-01 0.2977000 
1 1 1  -50    8    5 o   11.110   0.2079   11.120   0.2991   11.090   0.2889 0.2845000E-01 0.4159000 
1 1 1  -50    8    6 o   5.6910   0.2601   5.1130   0.4358   6.2680   0.2842 -1.156000 0.5203000 
1 1 1  -50    8    7 o   2.5530   0.7209   3.2270   1.2640   1.8780   0.6935 1.348000 1.442000 
1 1 1  -50    8    8 o   5.0080   0.5932   5.0470   1.1420   4.9700   0.3201 0.7642000E-01 1.186000 
1 1 1  -50    8    9 o   12.210   0.2108   12.520   0.3718   11.910   0.1986 0.6179000 0.4215000 
1 1 1  -50    8   10 o   11.310   0.2261   11.130   0.4018   11.480   0.2073 -0.3471000 0.4521000 
1 1 1  -50    8   11 o   21.440   0.1681   21.400   0.2359   21.480   0.2397 -0.7666000E-01 0.3363000 
1 1 1  -50    8   12 o   10.630   0.1545   10.700   0.1921   10.550   0.2420 0.1496000 0.3089000 
1 1 1  -50    8   13 o   16.890   0.1623   16.880   0.2277   16.890   0.2315 -0.9499000E-02 0.3247000 
1 1 1  -50    8   14 o   12.400   0.1464   12.210   0.2122   12.590   0.2016 -0.3805000 0.2928000 
1 1 1  -50    8   15 o   2.0790   0.5387   2.0430   0.7723   2.1150   0.7512 -0.7218000E-01 1.077000 
1 1 1  -50    8   16 o   8.8130   0.2152   8.8060   0.2868   8.8200   0.3209 -0.1393000E-01 0.4304000 
1 1 1  -50    8   17 o   10.720   0.1969   10.800   0.2616   10.640   0.2943 0.1591000 0.3937000 
1 1 1  -50    8   18 f   21.060   0.2140   21.190   0.2668   20.930   0.3346 0.2628000 0.4280000 
1 1 1  -50    8   19 o   8.5340   0.2438   8.6050   0.3273   8.4640   0.3614 0.1416000 0.4876000 
1 1 1  -50    8   20 o   3.6520   0.6253   3.7400   0.8160   3.5640   0.9477 0.1758000 1.251000 
1 1 1  -50    8   21 o   2.8560   0.6182   2.3260   0.8791   3.3870   0.8694 -1.061000 1.236000 
1 1 1  -50    8   22 o   16.280   0.1877   16.110   0.2495   16.450   0.2805 -0.3369000 0.3754000 
1 1 1  -50    8   23 o   6.4140   0.3594   6.4780   0.4852   6.3500   0.5304 0.1284000 0.7189000 
1 1 1  -50    8   24 o   3.2060   0.6517   2.7060   0.9484   3.7070   0.8941 -1.001000 1.303000 
1 1 1  -50    8   25 o   11.530   0.2396   11.650   0.3305   11.410   0.3471 0.2389000 0.4793000 
1 1 1  -50    8   26 o   3.1130   0.7843   3.4200   1.1720   2.8050   1.0430 0.6143000 1.569000 
1 1 1  -50    8   27 f   2.6730   0.6764   2.2250   0.9239   3.1200   0.9880 -0.8953000 1.353000 
1 1 1  -50   10    1 o   9.3170   0.2923   9.2210   0.4527   9.4140   0.3699 -0.1934000 0.5846000 
1 1 1  -50   10    2 o   7.1230   0.3567   8.2860   0.4756   5.9600   0.5319 2.326000 0.7135000 
1 1 1  -50   10    3 o   7.8140   0.2460   8.1540   0.3547   7.4730   0.3408 0.6808000 0.4920000 
1 1 1  -50   10    4 o   2.9270   0.5694   3.0120   0.8283   2.8420   0.7814 0.1695000 1.139000 
1 1 1  -50   10    5 o   8.0430   0.2265   7.8330   0.3410   8.2540   0.2982 -0.4218000 0.4530000 
1 1 1  -50   10    6 o   4.5660   0.4232   4.5710   0.6955   4.5610   0.4822 0.1091000E-01 0.8463000 
1 1 1  -50   10    7 o   7.3510   0.2684   7.3280   0.4414   7.3740   0.3057 -0.4609000E-01 0.5369000 
1 1 1  -50   10    8 o   22.140   0.1663   22.120   0.2547   22.150   0.2140 -0.3416000E-01 0.3326000 
1 1 1  -50   10    9 o   3.5820   0.4816   3.2540   0.7735   3.9110   0.5741 -0.6569000 0.9633000 
1 1 1  -50   10   10 f   8.9410   0.2069   8.8180   0.3264   9.0630   0.2542 -0.2443000 0.4137000 
1 1 1  -50   10   11 o   9.9410   0.1979   9.7050   0.3165   10.180   0.2377 -0.4718000 0.3958000 
1 1 1  -50   10   12 f   14.120   0.1647   14.090   0.2538   14.150   0.2100 -0.6047000E-01 0.3294000 
1 1 1  -50   10   13 o   8.0020   0.2385   8.2100   0.3675   7.7930   0.3042 0.4172000 0.4771000 
1 1 1  -50   10   14 o   6.8810   0.2850   6.7290   0.4565   7.0330   0.3414 -0.3035000 0.5701000 
1 1 1  -50   10   15 o   18.560   0.1540   18.300   0.2187   18.820   0.2168 -0.5248000 0.3079000 
1 1 1  -50   10   16 o   10.100   0.2609   10.200   0.4011  10.0000   0.3339 0.1916000 0.5219000 
1 1 1  -50   10   17 o   11.210   0.2412   11.010   0.3923   11.410   0.2808 -0.4089000 0.4824000 
1 1 1  -50   10   18 o   2.1660   0.6254   2.2660   0.8608   2.0660   0.9075 0.2007000 1.251000 
1 1 1  -50   10   19 o   9.9720   0.2266   9.8610   0.3072   10.080   0.3333 -0.2219000 0.4533000 
1 1 1  -50   10   20 o   2.5750   0.6375   2.5080   0.8806   2.6420   0.9219 -0.1344000 1.275000 
1 1 1  -50   10   21 o   5.8030   0.3784   5.5490   0.5326   6.0570   0.5377 -0.5076000 0.7568000 
1 1 1  -50   10   22 o   10.580   0.2401   10.360   0.3322   10.800   0.3467 -0.4462000 0.4802000 
1 1 1  -50   10   23 o   3.3830   0.6503   2.9810   0.9386   3.7840   0.9003 -0.8028000 1.301000 
1 1 1  -50   10   24 o   13.790   0.2459   13.950   0.3325   13.620   0.3625 0.3285000 0.4919000 
1 1 1  -50   10   25 o   2.7920   0.6914   2.3070   0.9736   3.2770   0.9818 -0.9703000 1.383000 
1 1 1  -50   10   26 o   3.5000   0.6050   4.7880   0.7321   2.2120   0.9633 2.576000 1.210000 
1 1 1  -50   12    1 f   4.5860   0.4923   4.0720   0.8108   5.0990   0.5585 -1.027000 0.9845000 
1 1 1  -50   12    2 o   11.840   0.2059   11.770   0.3052   11.900   0.2763 -0.1301000 0.4117000 
1 1 1  -50   12    3 o   4.6790   0.4797   4.4260   0.7381   4.9320   0.6129 -0.5059000 0.9594000 
1 1 1  -50   12    4 o   8.7120   0.3632   9.0110   0.5576   8.4130   0.4657 0.5973000 0.7265000 
1 1 1  -50   12    5 o   7.6050   0.3895   7.4510   0.6214   7.7590   0.4697 -0.3077000 0.7790000 
1 1 1  -50   12    6 o   9.2470   0.2485   9.0800   0.3810   9.4150   0.3192 -0.3358000 0.4970000 
1 1 1  -50   12    7 o   3.6940   0.6581   3.5680   1.0970   3.8190   0.7273 -0.2514000 1.316000 
1 1 1  -50   12    8 o   4.8570   0.4865   4.4970   0.8242   5.2170   0.5172 -0.7199000 0.9730000 
1 1 1  -50   12    9 o   9.2080   0.2558   9.1770   0.4099   9.2400   0.3059 -0.6293000E-01 0.5115000 
1 1 1  -50   12   10 o   7.7460   0.2984   8.6280   0.4430   6.8640   0.3998 1.763000 0.5967000 
1 1 1  -50   12   11 o   10.110   0.2490   10.280   0.3827   9.9450   0.3185 0.3395000 0.4979000 
1 1 1  -50   12   12 o   4.7590   0.4764   5.2460   0.6939   4.2720   0.6530 0.9741000 0.9528000 
1 1 1  -50   12   13 o   9.9790   0.2913   9.7000   0.4175   10.260   0.4064 -0.5574000 0.5827000 
1 1 1  -50   12   14 o   17.490   0.1976   17.380   0.2837   17.590   0.2750 -0.2118000 0.3951000 
1 1 1  -50   12   15 o   13.990   0.2111   14.460   0.3016   13.510   0.2954 0.9490000 0.4222000 
1 1 1  -50   12   16 o   14.780   0.1920   15.060   0.2975   14.490   0.2427 0.5662000 0.3840000 
1 1 1  -50   12   17 o   7.2950   0.3073   7.3170   0.4797   7.2720   0.3841 0.4581000E-01 0.6146000 
1 1 1  -50   12   18 o   15.680   0.1934   15.550   0.3016   15.800   0.2423 -0.2539000 0.3869000 
1 1 1  -50   12   19 o   7.7350   0.3311   7.9200   0.4757   7.5500   0.4607 0.3698000 0.6622000 
1 1 1  -50   12   20 o   5.1940   0.4544   4.9580   0.6325   5.4290   0.6525 -0.4705000 0.9088000 
1 1 1  -50   12   21 o   4.8720   0.5741   4.2020   0.8916   5.5430   0.7234 -1.341000 1.148000 
1 1 1  -50   12   22 o   1.9230   0.6128   1.4870   0.7274   2.3580   0.9865 -0.8706000 1.226000 
1 1 1  -50   12   23 o   8.6760   0.3012   8.6170   0.4113   8.7340   0.4403 -0.1168000 0.6025000 
1 1 1  -50   12   24 o   4.5110   0.6106   4.3480   0.9390   4.6730   0.7808 -0.3247000 1.221000 
1 1 1  -50   12   25 o   4.6090   0.5792   5.0480   0.7200   4.1710   0.9076 0.8769000 1.158000 
1 1 1  -50   14    1 f   1.9900   0.5915   2.5760   0.9676   1.4040   0.6807 1.172000 1.183000 
1 1 1  -50   14    2 o   2.5200   0.6595   2.6780   0.9670   2.3630   0.8970 0.3155000 1.319000 
1 1 1  -50   14    3 o   4.3840   0.5106   4.1310   0.7981   4.6380   0.6369 -0.5067000 1.021000 
1 1 1  -50   14    4 o   7.0170   0.3136   7.3490   0.4501   6.6840   0.4369 0.6651000 0.6272000 
1 1 1  -50   14    5 o   4.4390   0.4998   5.0950   0.6380   3.7840   0.7694 1.311000 0.9995000 
1 1 1  -50   14    6 o   1.8330   0.5588   1.5890   0.7430   2.0760   0.8349 -0.4875000 1.118000 
1 1 1  -50   14    7 o   6.6310   0.3491   6.0860   0.5780   7.1770   0.3917 -1.091000 0.6983000 
1 1 1  -50   14    8 o   3.5300   0.5983   3.5430   0.9170   3.5160   0.7686 0.2676000E-01 1.197000 
1 1 1  -50   14    9 o   6.1500   0.3756   6.0470   0.6091   6.2520   0.4398 -0.2055000 0.7513000 
1 1 1  -50   14   10 o   16.150   0.1926   15.880   0.3011   16.420   0.2403 -0.5327000 0.3853000 
1 1 1  -50   14   11 o   5.3170   0.4342   5.2020   0.7072   5.4330   0.5039 -0.2307000 0.8683000 
1 1 1  -50   14   12 o   5.8110   0.4304   5.0930   0.7374   6.5290   0.4442 -1.435000 0.8609000 
1 1 1  -50   14   13 o   8.8840   0.2884   8.3540   0.4437   9.4140   0.3686 -1.060000 0.5768000 
1 1 1  -50   14   14 o   8.3490   0.2888   8.4410   0.4512   8.2570   0.3605 0.1839000 0.5776000 
1 1 1  -50   14   15 o   11.070   0.2347   11.100   0.3664   11.030   0.2935 0.6530000E-01 0.4695000 
1 1 1  -50   14   16 o   7.3780   0.3266   6.9760   0.5283   7.7800   0.3842 -0.8044000 0.6532000 
1 1 1  -50   14   17 f   5.3640   0.5062   4.0620   0.9057   6.6660   0.4524 -2.604000 1.012000 
1 1 1  -50   14   18 o   5.1110   0.5587   5.4410   0.8867   4.7800   0.6800 0.6606000 1.117000 
1 1 1  -50   14   19 o   8.6240   0.3496   8.6850   0.5684   8.5640   0.4073 0.1202000 0.6993000 
1 1 1  -50   14   20 o   1.9000   0.5935   2.4690   0.9926   1.3300   0.6511 1.139000 1.187000 
1 1 1  -50   14   21 f   2.7570   0.7073   3.1430   1.0370   2.3710   0.9624 0.7721000 1.415000 
1 1 1  -50   14   22 o   7.9530   0.3558   8.4180   0.4912   7.4890   0.5148 0.9291000 0.7115000 
1 1 1  -50   14   23 o   3.8550   0.7224   3.0760   1.1630   4.6330   0.8573 -1.556000 1.445000 
1 1 1  -50   16    1 o   6.9390   0.3557   7.3670   0.5007   6.5110   0.5054 0.8565000 0.7114000 
1 1 1  -50   16    2 o   9.5490   0.2811   9.2060   0.4172   9.8920   0.3769 -0.6862000 0.5623000 
1 1 1  -50   16    3 o   9.0880   0.2900   9.1640   0.4184   9.0110   0.4017 0.1534000 0.5801000 
1 1 1  -50   16    4 o   5.9620   0.4164   5.9140   0.6078   6.0100   0.5692 -0.9558000E-01 0.8328000 
1 1 1  -50   16    5 o   9.0990   0.2859   8.9270   0.4217   9.2720   0.3862 -0.3454000 0.5718000 
1 1 1  -50   16    6 o   4.0420   0.5883   3.4110   0.9322   4.6730   0.7177 -1.262000 1.177000 
1 1 1  -50   16    7 o   5.8980   0.4087   6.1470   0.5736   5.6490   0.5823 0.4980000 0.8173000 
1 1 1  -50   16    8 f   2.0310   0.6442   2.2060   0.9888   1.8570   0.8262 0.3494000 1.288000 
1 1 1  -50   16    9 o   8.8190   0.3526   8.5360   0.5922   9.1020   0.3828 -0.5660000 0.7051000 
1 1 1  -50   16   10 o   4.0040   0.6620   4.5450   0.9777   3.4630   0.8927 1.082000 1.324000 
1 1 1  -50   16   11 o   7.1920   0.3964   7.3390   0.6402   7.0450   0.4675 0.2945000 0.7927000 
1 1 1  -50   16   12 o   5.8310   0.4972   6.3760   0.7753   5.2870   0.6227 1.090000 0.9944000 
1 1 1  -50   16   13 o   8.8020   0.3340   9.1220   0.5227   8.4820   0.4157 0.6403000 0.6679000 
1 1 1  -50   16   14 o   7.5640   0.3892   7.5300   0.6282   7.5970   0.4596 -0.6691000E-01 0.7784000 
1 1 1  -50   16   15 o   4.5220   0.5572   4.1070   0.9298   4.9380   0.6142 -0.8313000 1.114000 
1 1 1  -50   16   16 o   4.7080   0.5403   5.5770   0.7108   3.8390   0.8139 1.738000 1.081000 
1 1 1  -50   16   17 o   3.6210   0.6297   2.8940   1.0190   4.3490   0.7405 -1.455000 1.259000 
1 1 1  -50   16   18 o   4.2410   0.6053   4.8740   0.8387   3.6080   0.8729 1.266000 1.211000 
1 1 1  -50   16   19 o   5.7070   0.4665   5.5750   0.7528   5.8400   0.5511 -0.2645000 0.9329000 
1 1 1  -50   16   20 o   8.7410   0.3897   8.7230   0.6233   8.7590   0.4678 -0.3543000E-01 0.7793000 
1 1 1  -50   16   21 o   3.1880   0.7895   3.1110   1.1780   3.2660   1.0510 -0.1548000 1.579000 
1 1 1  -50   16   22 o   2.3950   1.1580   2.3950   1.1580  ?   ?       ?      ? 
1 1 1  -50   18    1 f   2.0700   0.6720   2.0430   0.9507   2.0970   0.9499 -0.5413000E-01 1.344000 
1 1 1  -50   18    2 o   3.2000   0.7571   3.1270   1.0290   3.2740   1.1110 -0.1468000 1.514000 
1 1 1  -50   18    3 o   3.0430   0.6639   2.2880   0.9543   3.7990   0.9232 -1.512000 1.328000 
1 1 1  -50   18    4 o   2.5930   0.6505   1.9640   0.8843   3.2230   0.9542 -1.259000 1.301000 
1 1 1  -50   18    5 o   4.4850   0.5670   4.5480   0.8445   4.4230   0.7568 0.1254000 1.134000 
1 1 1  -50   18    6 o   2.7240   0.6736   2.4180   0.9670   3.0300   0.9381 -0.6117000 1.347000 
1 1 1  -50   18    7 o   5.0520   0.4539   5.1860   0.6325   4.9180   0.6514 0.2676000 0.9079000 
1 1 1  -50   18    8 o   2.4940   0.6636   2.1440   0.9490   2.8450   0.9278 -0.7008000 1.327000 
1 1 1  -50   18    9 o   2.1450   0.6449   2.0950   0.9345   2.1950   0.8889 -0.1003000 1.290000 
1 1 1  -50   18   10 o   11.420   0.2545   11.460   0.3989   11.380   0.3162 0.8024000E-01 0.5090000 
1 1 1  -50   18   11 o   5.3210   0.4906   5.1720   0.7917   5.4700   0.5797 -0.2977000 0.9812000 
1 1 1  -50   18   12 o   4.5410   0.5909   4.7660   0.9153   4.3150   0.7477 0.4504000 1.182000 
1 1 1  -50   18   13 o   2.4120   0.6851   2.6410   1.0410   2.1840   0.8915 0.4570000 1.370000 
1 1 1  -50   18   14 o   5.2820   0.5124   5.1140   0.8253   5.4500   0.6075 -0.3363000 1.025000 
1 1 1  -50   18   15 o   4.7380   0.5782   4.7570   0.8972   4.7180   0.7294 0.3951000E-01 1.156000 
1 1 1  -50   18   16 o   2.6210   0.6952   2.4890   1.0050   2.7530   0.9606 -0.2635000 1.390000 
1 1 1  -50   18   17 o   3.2650   0.7938   3.1190   1.1910   3.4120   1.0500 -0.2927000 1.588000 
1 1 1  -50   18   18 o   2.2450   0.6997   2.1160   0.9838   2.3740   0.9953 -0.2578000 1.399000 
1 1 1  -50   18   19 o   2.3540   0.6794   2.8650   1.0680   1.8420   0.8408 1.022000 1.359000 
1 1 1  -50   20    1 o   2.0180   0.6463   2.0070   0.9216   2.0290   0.9064 -0.2271000E-01 1.293000 
1 1 1  -50   20    2 o   2.1810   0.6687   2.3700   0.9961   1.9930   0.8925 0.3768000 1.337000 
1 1 1  -50   20    3 o   5.0610   0.5694   4.8040   0.8788   5.3170   0.7243 -0.5125000 1.139000 
1 1 1  -50   20    4 o   2.5570   0.6972   2.2590   0.9694   2.8550   1.0020 -0.5954000 1.394000 
1 1 1  -50   20    5 o   4.5120   0.6835   5.1100   0.9998   3.9130   0.9324 1.197000 1.367000 
1 1 1  -50   20    6 o   3.7570   0.7149   2.5780   1.0950   4.9350   0.9191 -2.357000 1.430000 
1 1 1  -50   20    7 o   6.2420   0.5115   6.6300   0.6659   5.8550   0.7766 0.7751000 1.023000 
1 1 1  -50   20    8 o   6.8090   0.5877   6.1400   1.0100   7.4780   0.6013 -1.338000 1.175000 
1 1 1  -50   20    9 o   3.2460   0.8056   2.9200   1.1950   3.5720   1.0800 -0.6524000 1.611000 
1 1 1  -50   20   10 f   2.3360   0.7354   2.6000   1.1320   2.0710   0.9395 0.5293000 1.471000 
1 1 1  -50   20   11 o   5.3790   0.7059   4.6880   1.2060   6.0700   0.7345 -1.382000 1.412000 
1 1 1  -50   20   12 o   3.3050   0.8408   3.8560   1.3030   2.7540   1.0630 1.102000 1.682000 
1 1 1  -50   20   13 o   3.5040   0.7852   3.2630   1.2780   3.7450   0.9124 -0.4821000 1.570000 
1 1 1  -50   20   14 o   7.4880   0.3849   7.7650   0.5909   7.2100   0.4933 0.5548000 0.7697000 
1 1 1  -50   20   15 f   2.0130   0.6279   1.7810   0.8486   2.2450   0.9256 -0.4638000 1.256000 
1 1 1  -50   20   16 o   2.2450   0.6757   2.1400   0.9549   2.3500   0.9562 -0.2107000 1.351000 
1 1 1  -50   22    1 o   2.0620   0.7046   2.3730   1.1260   1.7500   0.8471 0.6231000 1.409000 
1 1 1  -50   22    2 o   2.5590   0.7327   2.6400   1.0690   2.4780   1.0030 0.1622000 1.465000 
1 1 1  -50   22    3 o   2.4480   0.6841   1.9070   0.8888   2.9890   1.0400 -1.082000 1.368000 
1 1 1  -50   22    4 o   2.2900   0.6784   2.7740   1.0640   1.8060   0.8420 0.9670000 1.357000 
1 1 1  -50   22    5 o   2.7630   0.6262   1.6490   0.8012   3.8760   0.9626 -2.227000 1.252000 
1 1 1  -50   22    6 o   2.4780   0.6861   2.9580   1.0450   1.9970   0.8900 0.9607000 1.372000 
1 1 1  -50   22    7 o   2.0500   0.6420   2.2480   0.9602   1.8530   0.8526 0.3945000 1.284000 
1 1 1  -50   22    8 o   4.1880   0.7055   4.1410   1.0920   4.2350   0.8938 -0.9422000E-01 1.411000 
1 1 1  -50   22    9 o   5.0540   0.6127   4.4490   1.0270   5.6590   0.6677 -1.210000 1.225000 
1 1 1  -50   22   10 o   4.9180   0.5947   4.8360   0.9126   5.0010   0.7629 -0.1648000 1.189000 
1 1 1  -50   22   11 o   1.8950   0.6661   2.2880   1.1120   1.5010   0.7339 0.7870000 1.332000 
1 1 1  -49    1    1 o   14.660   0.1870   14.280   0.2852   15.030   0.2421 -0.7500000 0.3741000 
1 1 1  -49    1    2 o   13.380   0.1788   13.400   0.2754   13.360   0.2282 0.4432000E-01 0.3576000 
1 1 1  -49    1    3 o   8.4670   0.1958   8.6240   0.3140   8.3090   0.2339 0.3145000 0.3915000 
1 1 1  -49    1    4 o   3.0820   0.4274   3.0200   0.6002   3.1440   0.6087 -0.1237000 0.8549000 
1 1 1  -49    1    5 o   9.4990   0.1438   9.7370   0.2207   9.2620   0.1844 0.4750000 0.2876000 
1 1 1  -49    1    6 o   25.380   0.4007  ?   ?    25.380   0.4007      ?      ? 
1 1 1  -49    1    7 o   8.3080   0.2635  ?   ?    8.3080   0.2635      ?      ? 
1 1 1  -49    1    8 o   6.4170   0.2645   6.3950   0.4302   6.4400   0.3079 -0.4565000E-01 0.5290000 
1 1 1  -49    1    9 o   16.820   0.1932   16.610   0.3156   17.020   0.2228 -0.4152000 0.3864000 
1 1 1  -49    1   11 o   14.620   0.2394   14.550   0.3165   14.680   0.3592 -0.1323000 0.4788000 
1 1 1  -49    1   12 o   6.8220   0.2201   7.0440   0.2500   6.6000   0.3624 0.4437000 0.4403000 
1 1 1  -49    1   13 o   10.750   0.1438   11.080   0.2017   10.430   0.2049 0.6433000 0.2875000 
1 1 1  -49    1   14 f   6.0660   0.2185   6.1270   0.2799   6.0050   0.3355 0.1216000 0.4369000 
1 1 1  -49    1   15 o   12.520   0.1433   12.540   0.1882   12.500   0.2161 0.4263000E-01 0.2865000 
1 1 1  -49    1   16 o   11.820   0.1657   12.030   0.2358   11.620   0.2327 0.4071000 0.3313000 
1 1 1  -49    1   17 o   23.870   0.1915   23.810   0.2444   23.930   0.2950 -0.1232000 0.3831000 
1 1 1  -49    1   18 o   3.7930   0.5329   4.0340   0.6252   3.5510   0.8631 0.4827000 1.066000 
1 1 1  -49    1   19 o   14.130   0.1626   14.060   0.2150   14.200   0.2441 -0.1365000 0.3253000 
1 1 1  -49    1   20 o   2.0630   0.5688   2.0310   0.7854   2.0940   0.8230 -0.6347000E-01 1.138000 
1 1 1  -49    1   21 o   9.7000   0.2132   10.230   0.2717   9.1650   0.3286 1.069000 0.4263000 
1 1 1  -49    1   22 o   11.880   0.1914   11.860   0.2521   11.900   0.2881 -0.3878000E-01 0.3828000 
1 1 1  -49    1   23 o   6.3530   0.3204   6.1830   0.4341   6.5220   0.4714 -0.3388000 0.6409000 
1 1 1  -49    1   24 o   6.5370   0.3273   6.4510   0.4435   6.6230   0.4815 -0.1714000 0.6547000 
1 1 1  -49    1   25 o   2.6790   0.6903   2.9710   0.9538   2.3860   0.9980 0.5850000 1.381000 
1 1 1  -49    1   26 o   11.460   0.2483   11.400   0.3587   11.530   0.3435 -0.1342000 0.4966000 
1 1 1  -49    1   27 o   6.3990   0.3816   6.6510   0.4833   6.1460   0.5908 0.5052000 0.7633000 
1 1 1  -49    1   28 o   10.440   0.2625   10.790   0.3403   10.100   0.3998 0.6874000 0.5250000 
1 1 1  -49    1   29 o   3.3010   0.7737   3.5360   1.0660   3.0660   1.1220 0.4701000 1.547000 
1 1 1  -49    3    1 o   7.9480   0.2898   7.5750   0.4231   8.3220   0.3961 -0.7476000 0.5795000 
1 1 1  -49    3    2 o   16.660   0.1750   16.540   0.2714   16.780   0.2211 -0.2439000 0.3500000 
1 1 1  -49    3    3 o   14.460   0.1692   14.370   0.2550   14.540   0.2224 -0.1716000 0.3383000 
1 1 1  -49    3    4 f   8.2430   0.1705   8.0310   0.2748   8.4540   0.2018 -0.4229000 0.3410000 
1 1 1  -49    3    5 o   12.820   0.2651   12.580   0.4410   13.070   0.2945 -0.4843000 0.5303000 
1 1 1  -49    3    6 o   9.9280   0.3020   10.320   0.4746   9.5310   0.3735 0.7934000 0.6039000 
1 1 1  -49    3    7 o   11.390   0.2580   11.540   0.4159   11.250   0.3055 0.2908000 0.5161000 
1 1 1  -49    3    8 o   14.240   0.2409   14.570   0.3964   13.910   0.2737 0.6609000 0.4817000 
1 1 1  -49    3    9 o   6.5370   0.3792   6.7260   0.6065   6.3480   0.4554 0.3787000 0.7584000 
1 1 1  -49    3   10 o   15.750   0.1858   15.570   0.2599   15.930   0.2655 -0.3598000 0.3715000 
1 1 1  -49    3   11 o   5.4890   0.3663   5.7120   0.4896   5.2660   0.5450 0.4454000 0.7326000 
1 1 1  -49    3   12 o   7.5040   0.2715   7.4120   0.3820   7.5970   0.3859 -0.1845000 0.5430000 
1 1 1  -49    3   13 o   10.400   0.1962   10.560   0.2307   10.230   0.3175 0.3284000 0.3925000 
1 1 1  -49    3   14 o   10.380   0.1806   10.130   0.2858   10.630   0.2210 -0.5003000 0.3613000 
1 1 1  -49    3   15 o   5.3210   0.3056   5.4100   0.4144   5.2320   0.4491 0.1778000 0.6111000 
1 1 1  -49    3   16 o   4.9680   0.3046   4.7350   0.4328   5.2010   0.4287 -0.4662000 0.6092000 
1 1 1  -49    3   17 o   8.1090   0.2086   8.0840   0.2830   8.1350   0.3066 -0.5104000E-01 0.4173000 
1 1 1  -49    3   18 o   3.2230   0.5524   1.8460   0.7831   4.6000   0.7793 -2.755000 1.105000 
1 1 1  -49    3   19 o   10.680   0.1880   10.600   0.2512   10.770   0.2799 -0.1714000 0.3760000 
1 1 1  -49    3   20 o   12.050   0.1825   11.760   0.2441   12.330   0.2714 -0.5761000 0.3651000 
1 1 1  -49    3   21 o   16.210   0.1695   16.150   0.2228   16.270   0.2556 -0.1202000 0.3391000 
1 1 1  -49    3   22 f   2.0180   0.5851   2.1390   0.8336   1.8970   0.8213 0.2426000 1.170000 
1 1 1  -49    3   23 o   2.8400   0.6140   3.1620   0.8318   2.5190   0.9034 0.6430000 1.228000 
1 1 1  -49    3   24 o   2.8230   0.6806   3.0940   0.9322   2.5510   0.9918 0.5434000 1.361000 
1 1 1  -49    3   25 o   2.4240   0.6438   2.4830   0.8999   2.3660   0.9209 0.1176000 1.288000 
1 1 1  -49    3   26 f   7.7270   0.3351   7.6350   0.4896   7.8190   0.4577 -0.1843000 0.6702000 
1 1 1  -49    3   27 o   6.3750   0.3805   6.4830   0.5016   6.2670   0.5723 0.2161000 0.7610000 
1 1 1  -49    3   29 o   4.6530   0.6729   3.4400   1.0780   5.8660   0.8051 -2.426000 1.346000 
1 1 1  -49    5    1 o   3.0940   0.6016   3.6310   0.8802   2.5570   0.8202 1.074000 1.203000 
1 1 1  -49    5    2 o   11.130   0.1968   11.380   0.3162   10.870   0.2342 0.5086000 0.3935000 
1 1 1  -49    5    3 o   12.140   0.1929   12.520   0.2743   11.760   0.2713 0.7662000 0.3857000 
1 1 1  -49    5    4 o   7.9800   0.1960   8.2890   0.2965   7.6700   0.2565 0.6193000 0.3920000 
1 1 1  -49    5    5 o   4.7400   0.7576   5.1950   1.0350   4.2850   1.1070 0.9097000 1.515000 
1 1 1  -49    5    6 o   12.340   0.3364   11.770   0.4968   12.900   0.4537 -1.132000 0.6727000 
1 1 1  -49    5    7 o   8.8310   0.4097   8.9640   0.6031   8.6990   0.5546 0.2651000 0.8194000 
1 1 1  -49    5    8 o   7.9560   0.4484   8.7760   0.6228   7.1370   0.6454 1.639000 0.8969000 
1 1 1  -49    5    9 o   10.610   0.3539   10.390   0.5425   10.840   0.4547 -0.4552000 0.7078000 
1 1 1  -49    5   10 o   8.7670   0.3878   8.6450   0.5760   8.8890   0.5194 -0.2439000 0.7756000 
1 1 1  -49    5   11 o   7.9590   0.4239   7.3050   0.6630   8.6130   0.5285 -1.307000 0.8479000 
1 1 1  -49    5   12 o   13.960   0.2948   13.850   0.4336   14.070   0.3995 -0.2161000 0.5896000 
1 1 1  -49    5   13 o   5.1980   0.2494   5.0030   0.3591   5.3940   0.3463 -0.3905000 0.4989000 
1 1 1  -49    5   14 o   6.2950   0.2412   6.2550   0.3523   6.3350   0.3296 -0.8028000E-01 0.4824000 
1 1 1  -49    5   15 o   11.960   0.1568   11.950   0.2087   11.960   0.2341 -0.1133000E-01 0.3136000 
1 1 1  -49    5   16 o   10.640   0.1724   10.340   0.2363   10.950   0.2512 -0.6118000 0.3449000 
1 1 1  -49    5   17 o   13.420   0.1638   13.600   0.2206   13.230   0.2421 0.3745000 0.3275000 
1 1 1  -49    5   18 o   10.580   0.3231   10.580   0.3231  ?   ?       ?      ? 
1 1 1  -49    5   19 o   9.5790   0.2115   9.6550   0.2840   9.5020   0.3136 0.1531000 0.4231000 
1 1 1  -49    5   20 o   12.550   0.1818   12.680   0.2416   12.420   0.2719 0.2568000 0.3637000 
1 1 1  -49    5   21 o   5.4950   0.3579   5.4120   0.4943   5.5790   0.5178 -0.1673000 0.7159000 
1 1 1  -49    5   22 o   5.4340   0.3835   5.1430   0.5513   5.7260   0.5334 -0.5829000 0.7671000 
1 1 1  -49    5   23 o   4.4000   0.5777   4.7760   0.6764   4.0240   0.9367 0.7513000 1.155000 
1 1 1  -49    5   24 o   4.9150   0.4420   4.8290   0.6178   5.0010   0.6321 -0.1721000 0.8839000 
1 1 1  -49    5   25 o   7.3730   0.3260   8.0660   0.4103   6.6790   0.5067 1.387000 0.6520000 
1 1 1  -49    5   26 f   12.370   0.2439   12.660   0.3513   12.090   0.3384 0.5669000 0.4878000 
1 1 1  -49    5   27 o   6.2890   0.3891   6.4790   0.5221   6.1000   0.5771 0.3791000 0.7782000 
1 1 1  -49    5   28 o   9.2370   0.3399   9.2300   0.4759   9.2440   0.4856 -0.1416000E-01 0.6799000 
1 1 1  -49    7    1 o   10.530   0.1939   10.490   0.2813   10.570   0.2670 -0.8144000E-01 0.3879000 
1 1 1  -49    7    2 o   10.080   0.1946   10.040   0.2784   10.130   0.2718 -0.8261000E-01 0.3891000 
1 1 1  -49    7    3 f   2.5190   0.4918   3.3390   0.6764   1.6990   0.7141 1.640000 0.9836000 
1 1 1  -49    7    4 o   15.200   0.1865   15.550   0.2769   14.850   0.2498 0.7086000 0.3729000 
1 1 1  -49    7    5 o   12.430   0.1603   12.320   0.2605   12.530   0.1868 -0.2086000 0.3206000 
1 1 1  -49    7    6 f   11.100   0.3151   10.960   0.5939   11.240   0.2108 -0.2830000 0.6301000 
1 1 1  -49    7    7 o   14.310   0.3062   13.980   0.5039   14.650   0.3478 -0.6621000 0.6123000 
1 1 1  -49    7    8 o   8.0840   0.4353   8.2710   0.6931   7.8960   0.5268 0.3745000 0.8706000 
1 1 1  -49    7    9 o   2.9590   0.6721   3.8110   0.9758   2.1060   0.9244 1.704000 1.344000 
1 1 1  -49    7   10 o   4.1380   0.6510   4.4370   0.8561   3.8380   0.9810 0.5988000 1.302000 
1 1 1  -49    7   11 o   10.770   0.2129   10.910   0.3785   10.630   0.1953 0.2795000 0.4259000 
1 1 1  -49    7   12 o   9.2180   0.1741   9.1420   0.2462   9.2930   0.2462 -0.1516000 0.3481000 
1 1 1  -49    7   13 o   7.8040   0.1878   7.9700   0.2346   7.6370   0.2934 0.3336000 0.3756000 
1 1 1  -49    7   14 o   6.5370   0.2425   6.3160   0.3890   6.7580   0.2898 -0.4420000 0.4851000 
1 1 1  -49    7   15 o   8.2740   0.2094   8.3660   0.2745   8.1820   0.3162 0.1836000 0.4187000 
1 1 1  -49    7   16 o   7.8280   0.2317   7.6250   0.3156   8.0320   0.3393 -0.4070000 0.4634000 
1 1 1  -49    7   17 o   6.4500   0.2860   6.2510   0.3925   6.6500   0.4162 -0.3991000 0.5721000 
1 1 1  -49    7   18 o   7.9390   0.3112   7.7350   0.3987   8.1420   0.4780 -0.4071000 0.6225000 
1 1 1  -49    7   19 o   12.540   0.1988   12.330   0.2499   12.760   0.3092 -0.4307000 0.3976000 
1 1 1  -49    7   20 o   19.280   0.1717   19.040   0.2265   19.510   0.2582 -0.4693000 0.3435000 
1 1 1  -49    7   21 o   9.2590   0.2867   9.1840   0.3746   9.3350   0.4340 -0.1508000 0.5733000 
1 1 1  -49    7   22 o   5.1270   0.4289   5.3290   0.5689   4.9240   0.6420 0.4054000 0.8577000 
1 1 1  -49    7   23 o   4.9660   0.4508   5.4900   0.5613   4.4430   0.7056 1.047000 0.9017000 
1 1 1  -49    7   24 f   3.3010   0.6057   4.0810   0.7706   2.5210   0.9348 1.560000 1.211000 
1 1 1  -49    7   25 f   11.700   0.2268   12.010   0.3067   11.380   0.3342 0.6293000 0.4536000 
1 1 1  -49    7   26 o   10.510   0.3346   10.400   0.5193   10.620   0.4220 -0.2261000 0.6692000 
1 1 1  -49    7   27 o   5.2550   0.5120   5.3880   0.6413   5.1210   0.7984 0.2665000 1.024000 
1 1 1  -49    7   28 o   4.8710   0.5360   4.8460   0.7457   4.8950   0.7701 -0.4948000E-01 1.072000 
1 1 1  -49    9    1 o   5.6250   0.4376   6.3150   0.5937   4.9360   0.6430 1.379000 0.8752000 
1 1 1  -49    9    2 o   8.3510   0.2302   8.4730   0.3372   8.2290   0.3134 0.2436000 0.4604000 
1 1 1  -49    9    3 o   3.4030   0.5130   3.7150   0.7048   3.0910   0.7455 0.6242000 1.026000 
1 1 1  -49    9    4 o   11.160   0.1756   10.930   0.2637   11.400   0.2321 -0.4742000 0.3513000 
1 1 1  -49    9    5 o   12.360   0.1592   12.180   0.2340   12.550   0.2158 -0.3695000 0.3183000 
1 1 1  -49    9    6 o   3.5130   0.7087   3.2580   1.3080   3.7690   0.5447 -0.5114000 1.417000 
1 1 1  -49    9    7 o   8.5860   0.4258   8.7230   0.7761   8.4480   0.3503 0.2754000 0.8515000 
1 1 1  -49    9    8 o   16.640   0.2149   16.400   0.3474   16.880   0.2532 -0.4783000 0.4299000 
1 1 1  -49    9    9 o   8.1760   0.3120   8.4240   0.5138   7.9270   0.3541 0.4974000 0.6240000 
1 1 1  -49    9   10 o   17.460   0.2131   17.550   0.3517   17.370   0.2409 0.1789000 0.4263000 
1 1 1  -49    9   11 o   15.660   0.2132   15.640   0.3507   15.670   0.2427 -0.2305000E-01 0.4265000 
1 1 1  -49    9   12 o   7.5800   0.2275   8.0850   0.3410   7.0750   0.3011 1.010000 0.4549000 
1 1 1  -49    9   13 o   11.820   0.1543   12.020   0.2171   11.630   0.2192 0.3826000 0.3085000 
1 1 1  -49    9   14 f   8.4640   0.1991   8.1280   0.2962   8.7990   0.2661 -0.6700000 0.3981000 
1 1 1  -49    9   15 o   4.7970   0.3412   4.8960   0.4924   4.6980   0.4726 0.1977000 0.6825000 
1 1 1  -49    9   16 o   14.480   0.1572   14.550   0.2258   14.410   0.2189 0.1381000 0.3145000 
1 1 1  -49    9   17 o   11.880   0.2500   11.400   0.3143   12.350   0.3889 -0.9454000 0.5000000 
1 1 1  -49    9   18 o   8.1650   0.2952   7.7290   0.3936   8.6010   0.4400 -0.8725000 0.5904000 
1 1 1  -49    9   19 o   11.850   0.2362   11.480   0.3017   12.220   0.3634 -0.7371000 0.4723000 
1 1 1  -49    9   20 o   2.5780   0.5959   3.1580   0.8402   1.9990   0.8453 1.159000 1.192000 
1 1 1  -49    9   21 o   4.3320   0.4962   4.6330   0.6339   4.0300   0.7637 0.6028000 0.9925000 
1 1 1  -49    9   22 o   7.7180   0.2996   7.8880   0.4054   7.5480   0.4414 0.3404000 0.5993000 
1 1 1  -49    9   23 o   9.2590   0.2669   9.2320   0.3597   9.2850   0.3945 -0.5252000E-01 0.5339000 
1 1 1  -49    9   24 o   4.9810   0.4948   5.2760   0.6170   4.6850   0.7737 0.5908000 0.9896000 
1 1 1  -49    9   25 o   8.5850   0.3873   8.1870   0.6199   8.9840   0.4645 -0.7972000 0.7746000 
1 1 1  -49    9   26 o   6.3390   0.4086   6.0390   0.5976   6.6390   0.5575 -0.6004000 0.8172000 
1 1 1  -49    9   27 o   3.9330   0.6230   4.8120   0.7397   3.0550   1.0030 1.757000 1.246000 
1 1 1  -49   11    1 o   5.6720   0.3943   5.9970   0.5580   5.3470   0.5571 0.6503000 0.7885000 
1 1 1  -49   11    2 o   4.3480   0.6400   4.1530   1.0650   4.5420   0.7093 -0.3896000 1.280000 
1 1 1  -49   11    3 o   12.390   0.2368   12.450   0.3623   12.330   0.3048 0.1160000 0.4735000 
1 1 1  -49   11    4 o   14.450   0.1739   14.610   0.2547   14.300   0.2368 0.3137000 0.3478000 
1 1 1  -49   11    5 o   7.9340   0.2477   7.6870   0.3802   8.1820   0.3175 -0.4948000 0.4953000 
1 1 1  -49   11    6 o   9.1220   0.2128   9.4850   0.3069   8.7580   0.2949 0.7276000 0.4256000 
1 1 1  -49   11    7 o   4.0100   0.5372   3.4400   0.9410   4.5800   0.5188 -1.140000 1.074000 
1 1 1  -49   11    8 o   7.6030   0.2597   7.5250   0.4068   7.6820   0.3229 -0.1567000 0.5194000 
1 1 1  -49   11    9 o   7.5120   0.2649   6.9540   0.4303   8.0690   0.3092 -1.115000 0.5299000 
1 1 1  -49   11   10 o   13.940   0.1816   13.870   0.2809   14.000   0.2302 -0.1392000 0.3632000 
1 1 1  -49   11   11 o   3.8960   0.5054   3.5650   0.8368   4.2280   0.5670 -0.6629000 1.011000 
1 1 1  -49   11   12 o   9.4780   0.2221   9.0990   0.3558   9.8570   0.2658 -0.7581000 0.4441000 
1 1 1  -49   11   13 o   12.210   0.1900   12.420   0.2945   12.010   0.2401 0.4109000 0.3800000 
1 1 1  -49   11   14 o   12.440   0.2506   12.070   0.3673   12.800   0.3412 -0.7325000 0.5013000 
1 1 1  -49   11   15 f   11.680   0.2659   11.090   0.3923   12.270   0.3590 -1.176000 0.5318000 
1 1 1  -49   11   16 o   9.2790   0.2885   8.8750   0.4738   9.6840   0.3292 -0.8085000 0.5770000 
1 1 1  -49   11   17 o   5.1520   0.4711   4.2730   0.8331   6.0310   0.4399 -1.759000 0.9421000 
1 1 1  -49   11   18 o   15.430   0.1884   15.590   0.2465   15.270   0.2849 0.3197000 0.3768000 
1 1 1  -49   11   19 o   6.6100   0.3330   6.6830   0.4341   6.5380   0.5052 0.1446000 0.6661000 
1 1 1  -49   11   20 f   5.4430   0.4201   5.8300   0.5151   5.0560   0.6639 0.7740000 0.8403000 
1 1 1  -49   11   21 o   4.9840   0.4623   5.0980   0.6053   4.8710   0.6990 0.2264000 0.9247000 
1 1 1  -49   11   22 o   11.470   0.2549   11.210   0.3737   11.730   0.3468 -0.5259000 0.5098000 
1 1 1  -49   11   23 o   3.4060   0.7080   2.7600   1.0190   4.0530   0.9827 -1.293000 1.416000 
1 1 1  -49   11   24 o   3.4900   0.6752   4.2220   0.9093   2.7570   0.9984 1.465000 1.350000 
1 1 1  -49   11   25 o   3.6190   0.6302   2.5440   0.9679   4.6930   0.8074 -2.150000 1.260000 
1 1 1  -49   11   26 o   4.8580   0.5568   4.0760   0.8778   5.6400   0.6853 -1.564000 1.114000 
1 1 1  -49   13    1 o   2.7510   0.6328   2.3010   0.9145   3.2020   0.8749 -0.9007000 1.266000 
1 1 1  -49   13    2 o   7.3840   0.3047   7.3870   0.4539   7.3810   0.4068 0.6371000E-02 0.6095000 
1 1 1  -49   13    3 o   2.2090   0.6221   2.2780   0.9051   2.1400   0.8536 0.1384000 1.244000 
1 1 1  -49   13    4 o   5.3990   0.3926   5.0250   0.6171   5.7730   0.4854 -0.7483000 0.7852000 
1 1 1  -49   13    5 o   5.1870   0.3975   5.3870   0.5807   4.9860   0.5430 0.4012000 0.7950000 
1 1 1  -49   13    6 o   5.2250   0.4887   4.6930   0.8572   5.7570   0.4697 -1.064000 0.9774000 
1 1 1  -49   13    7 f   2.5820   0.6581   2.9200   0.9647   2.2440   0.8954 0.6760000 1.316000 
1 1 1  -49   13    8 o   4.7970   0.4778   4.6570   0.7301   4.9360   0.6166 -0.2787000 0.9557000 
1 1 1  -49   13    9 o   4.3960   0.5427   3.8080   0.8927   4.9850   0.6173 -1.177000 1.085000 
1 1 1  -49   13   10 o   2.3660   0.6506   2.5810   0.9611   2.1510   0.8771 0.4305000 1.301000 
1 1 1  -49   13   11 o   3.4960   0.6210   2.9300   0.9667   4.0630   0.7797 -1.132000 1.242000 
1 1 1  -49   13   12 o   12.240   0.2104   12.200   0.3260   12.280   0.2662 -0.7909000E-01 0.4209000 
1 1 1  -49   13   13 o   15.300   0.1907   15.160   0.2957   15.430   0.2409 -0.2752000 0.3814000 
1 1 1  -49   13   14 o   9.5490   0.2510   9.3290   0.3962   9.7700   0.3082 -0.4415000 0.5019000 
1 1 1  -49   13   15 o   13.230   0.2064   13.290   0.3207   13.170   0.2598 0.1190000 0.4128000 
1 1 1  -49   13   16 f   2.6180   0.5885   1.8410   0.8386   3.3950   0.8259 -1.555000 1.177000 
1 1 1  -49   13   17 o   2.8490   0.5494   1.7660   0.8182   3.9320   0.7334 -2.166000 1.099000 
1 1 1  -49   13   18 o   8.9790   0.2725   9.2090   0.4207   8.7490   0.3466 0.4595000 0.5451000 
1 1 1  -49   13   19 o   14.880   0.2098   14.460   0.3330   15.300   0.2554 -0.8377000 0.4197000 
1 1 1  -49   13   20 o   11.150   0.3188   10.950   0.4882   11.360   0.4102 -0.4092000 0.6377000 
1 1 1  -49   13   21 o   7.4360   0.3633   7.5650   0.5154   7.3070   0.5122 0.2579000 0.7266000 
1 1 1  -49   13   22 o   5.3930   0.5046   5.5710   0.7150   5.2160   0.7123 0.3547000 1.009000 
1 1 1  -49   13   23 o   5.7760   0.4948   5.1520   0.7929   6.4010   0.5922 -1.249000 0.9896000 
1 1 1  -49   13   24 o   3.8420   0.6633   4.2480   0.8530   3.4370   1.0160 0.8114000 1.327000 
1 1 1  -49   13   25 o   1.8940   0.8933   1.8940   0.8933  ?   ?       ?      ? 
1 1 1  -49   15    1 o   3.3130   0.5984   2.2920   0.9501   4.3330   0.7276 -2.041000 1.197000 
1 1 1  -49   15    2 o   9.8270   0.2607   9.9210   0.3872   9.7340   0.3491 0.1861000 0.5213000 
1 1 1  -49   15    3 o   6.8120   0.3445   6.9110   0.5099   6.7130   0.4634 0.1979000 0.6890000 
1 1 1  -49   15    4 o   4.6610   0.4999   4.3950   0.7832   4.9270   0.6215 -0.5324000 0.9998000 
1 1 1  -49   15    5 o   8.0050   0.2981   7.7720   0.4568   8.2390   0.3833 -0.4667000 0.5962000 
1 1 1  -49   15    6 o   12.030   0.2136   11.860   0.3177   12.210   0.2856 -0.3559000 0.4272000 
1 1 1  -49   15    7 o   2.7470   0.6583   2.6250   0.9840   2.8690   0.8749 -0.2442000 1.317000 
1 1 1  -49   15    8 o   3.1830   0.6015   4.3440   0.8653   2.0210   0.8357 2.323000 1.203000 
1 1 1  -49   15    9 o   10.830   0.2436   10.900   0.3800   10.760   0.3050 0.1439000 0.4873000 
1 1 1  -49   15   10 o   4.8590   0.5186   3.9490   0.9087   5.7700   0.4998 -1.821000 1.037000 
1 1 1  -49   15   11 f   7.4450   0.3272   7.2260   0.5237   7.6640   0.3924 -0.4373000 0.6544000 
1 1 1  -49   15   12 o   1.9600   0.5987   1.8010   0.8333   2.1190   0.8600 -0.3185000 1.197000 
1 1 1  -49   15   13 o   6.8540   0.3520   6.7480   0.5481   6.9590   0.4418 -0.2106000 0.7040000 
1 1 1  -49   15   14 o   10.310   0.2567   10.460   0.3920   10.160   0.3314 0.2976000 0.5133000 
1 1 1  -49   15   15 o   4.7160   0.6084   4.4160   1.0340   5.0170   0.6412 -0.6016000 1.217000 
1 1 1  -49   15   16 o   5.4350   0.5292   5.3480   0.8779   5.5210   0.5910 -0.1735000 1.058000 
1 1 1  -49   15   17 o   5.3620   0.5228   5.7830   0.8026   4.9410   0.6700 0.8420000 1.046000 
1 1 1  -49   15   18 o   8.9380   0.2932   8.9730   0.4564   8.9030   0.3683 0.7012000E-01 0.5865000 
1 1 1  -49   15   19 o   7.5020   0.3499   7.6270   0.5433   7.3770   0.4409 0.2496000 0.6997000 
1 1 1  -49   15   20 o   7.3180   0.3670   7.0800   0.5865   7.5550   0.4412 -0.4749000 0.7339000 
1 1 1  -49   15   21 o   1.9560   0.6403   1.9750   0.9319   1.9360   0.8783 0.3959000E-01 1.281000 
1 1 1  -49   15   22 o   4.5070   0.7101   4.3720   1.1340   4.6420   0.8550 -0.2694000 1.420000 
1 1 1  -49   15   23 o   9.0510   0.3386   9.2030   0.4792   8.8990   0.4785 0.3044000 0.6772000 
1 1 1  -49   17    1 o   2.7020   0.6096   3.8220   0.9560   1.5820   0.7566 2.240000 1.219000 
1 1 1  -49   17    2 o   2.7770   0.6999   2.8160   1.0040   2.7390   0.9755 0.7674000E-01 1.400000 
1 1 1  -49   17    3 o   6.9120   0.3666   7.7220   0.4971   6.1020   0.5390 1.620000 0.7332000 
1 1 1  -49   17    4 f   8.2780   0.3087   7.9790   0.4726   8.5760   0.3972 -0.5971000 0.6173000 
1 1 1  -49   17    5 o   5.4940   0.4387   5.4210   0.6682   5.5660   0.5687 -0.1452000 0.8774000 
1 1 1  -49   17    6 o   5.3920   0.4505   5.0150   0.7212   5.7680   0.5401 -0.7530000 0.9010000 
1 1 1  -49   17    7 o   6.8490   0.3324   6.4190   0.4924   7.2790   0.4466 -0.8598000 0.6647000 
1 1 1  -49   17    8 o   2.6780   0.5888   1.7120   0.8177   3.6440   0.8475 -1.931000 1.178000 
1 1 1  -49   17    9 o   4.6450   0.5599   4.4470   0.9040   4.8420   0.6610 -0.3948000 1.120000 
1 1 1  -49   17   10 o   6.1600   0.4022   6.4290   0.6028   5.8900   0.5327 0.5396000 0.8045000 
1 1 1  -49   17   11 o   2.2420   0.6451   2.0560   0.9157   2.4290   0.9090 -0.3736000 1.290000 
1 1 1  -49   17   12 o   7.6550   0.3398   7.8300   0.5280   7.4810   0.4279 0.3493000 0.6797000 
1 1 1  -49   17   13 f   9.7980   0.2843   9.8320   0.4512   9.7640   0.3462 0.6828000E-01 0.5687000 
1 1 1  -49   17   14 o   3.3310   0.6871   3.5120   1.0180   3.1490   0.9232 0.3630000 1.374000 
1 1 1  -49   17   15 o   1.9970   0.6254   2.1010   0.9291   1.8920   0.8375 0.2095000 1.251000 
1 1 1  -49   17   16 o   2.2960   0.6646   2.6610   1.0310   1.9310   0.8389 0.7295000 1.329000 
1 1 1  -49   17   17 o   1.9980   0.6248   2.0060   0.9063   1.9900   0.8604 0.1599000E-01 1.250000 
1 1 1  -49   17   18 o   4.6330   0.6209   4.8850   0.8379   4.3820   0.9164 0.5039000 1.242000 
1 1 1  -49   17   19 o   2.5090   0.7341   2.3350   1.0450   2.6820   1.0320 -0.3463000 1.468000 
1 1 1  -49   17   20 o   9.3490   0.3162   9.1260   0.4987   9.5710   0.3889 -0.4457000 0.6324000 
1 1 1  -49   17   21 o   6.9370   0.4084   6.9010   0.6276   6.9730   0.5227 -0.7226000E-01 0.8167000 
1 1 1  -49   19    1 o   2.1250   0.6468   1.8650   0.8635   2.3860   0.9633 -0.5204000 1.294000 
1 1 1  -49   19    2 o   2.1010   0.6609   2.0060   0.9408   2.1960   0.9285 -0.1904000 1.322000 
1 1 1  -49   19    3 o   4.7770   0.7125   5.0780   0.9914   4.4750   1.0240 0.6032000 1.425000 
1 1 1  -49   19    4 o   3.0110   0.7474   2.3370   1.0320   3.6850   1.0820 -1.348000 1.495000 
1 1 1  -49   19    5 o   4.3940   0.6687   3.4480   1.0330   5.3390   0.8488 -1.891000 1.337000 
1 1 1  -49   19    6 o   3.6330   0.6529   3.4590   0.9304   3.8070   0.9163 -0.3486000 1.306000 
1 1 1  -49   19    7 o   5.0150   0.5177   5.8630   0.6080   4.1670   0.8381 1.696000 1.035000 
1 1 1  -49   19    8 o   7.8740   0.3702   8.0930   0.5758   7.6550   0.4653 0.4374000 0.7403000 
1 1 1  -49   19    9 o   2.4310   0.6864   2.3680   0.9987   2.4940   0.9419 -0.1255000 1.373000 
1 1 1  -49   19   10 o   2.8930   0.6690   2.2520   0.9770   3.5350   0.9141 -1.283000 1.338000 
1 1 1  -49   19   11 o   2.0550   0.6411   2.1350   0.9487   1.9740   0.8625 0.1606000 1.282000 
1 1 1  -49   19   12 o   6.7540   0.4109   7.1820   0.6218   6.3260   0.5373 0.8561000 0.8218000 
1 1 1  -49   19   13 o   4.6980   0.6560   4.7960   0.9197   4.6000   0.9357 0.1962000 1.312000 
1 1 1  -49   19   14 o   6.3920   0.5849   5.9080   0.9912   6.8760   0.6212 -0.9679000 1.170000 
1 1 1  -49   19   15 o   5.3370   0.6824   5.8510   1.0160   4.8240   0.9111 1.027000 1.365000 
1 1 1  -49   19   16 o   3.7870   0.7751   3.9890   1.2160   3.5860   0.9611 0.4032000 1.550000 
1 1 1  -49   19   17 o   6.1510   0.4583   5.9710   0.7321   6.3310   0.5516 -0.3600000 0.9167000 
1 1 1  -49   19   18 o   2.8740   0.7003   2.4250   1.0100   3.3230   0.9700 -0.8983000 1.401000 
1 1 1  -49   21    1 o   2.4570   0.7031   2.1470   0.9617   2.7670   1.0260 -0.6194000 1.406000 
1 1 1  -49   21    2 o   4.7960   0.6397   3.9580   1.0700   5.6330   0.7022 -1.675000 1.279000 
1 1 1  -49   21    3 o   2.0980   0.6605   2.2560   0.9872   1.9400   0.8778 0.3164000 1.321000 
1 1 1  -49   21    4 o   2.4520   0.7018   2.3310   0.9938   2.5740   0.9911 -0.2428000 1.404000 
1 1 1  -49   21    5 o   3.0210   0.7324   2.7670   1.0610   3.2750   1.0100 -0.5083000 1.465000 
1 1 1  -49   21    6 o   2.1040   0.6357   1.7280   0.8107   2.4790   0.9793 -0.7512000 1.271000 
1 1 1  -49   21    7 o   4.2490   0.6405   5.0350   0.7928   3.4630   1.0060 1.572000 1.281000 
1 1 1  -49   21    8 o   4.9310   0.6103   5.4140   0.8767   4.4490   0.8493 0.9647000 1.221000 
1 1 1  -49   21    9 f   2.4920   0.7125   2.5920   1.0540   2.3920   0.9593 0.1998000 1.425000 
1 1 1  -49   21   10 f   3.3250   0.7216   2.9390   1.0920   3.7110   0.9440 -0.7718000 1.443000 
1 1 1  -49   21   11 o   1.5240   0.5299   1.7840   0.8494   1.2630   0.6337 0.5204000 1.060000 
1 1 1  -49   21   12 o   8.1960   0.3751   8.5020   0.5737   7.8900   0.4834 0.6121000 0.7502000 
1 1 1  -49   21   13 o   2.2570   0.6616   1.8540   0.8786   2.6600   0.9895 -0.8063000 1.323000 
1 1 1  -49   21   14 o   4.6300   0.6197   5.0060   0.9033   4.2530   0.8487 0.7527000 1.239000 
1 1 1  -49   21   15 o   5.2570   0.6679   5.0460   1.1260   5.4680   0.7191 -0.4216000 1.336000 
1 1 1  -49   23    1 o   2.0130   0.6650   1.8880   0.9113   2.1370   0.9687 -0.2485000 1.330000 
1 1 1  -49   23    2 o   3.1980   0.9225   3.5310   1.4280   2.8660   1.1690 0.6642000 1.845000 
1 1 1  -49   23    3 f   2.3300   0.7484   1.9470   0.9621   2.7130   1.1470 -0.7651000 1.497000 
1 1 1  -49   23    4 o   2.5150   0.8014   2.9590   1.2720   2.0710   0.9745 0.8878000 1.603000 
1 1 1  -49   23    5 o   2.2980   0.7307   2.3570   1.0410   2.2400   1.0260 0.1176000 1.461000 
1 1 1  -49   23    6 o   2.4750   0.7309   2.2480   0.9922   2.7010   1.0730 -0.4538000 1.462000 
1 1 1  -49   23    7 o   2.6240   0.7680   2.4020   1.0810   2.8470   1.0910 -0.4452000 1.536000 
1 1 1  -49   23    8 f   3.4360   0.8744   3.1050   1.3330   3.7670   1.1320 -0.6622000 1.749000 
1 1 1  -48    0    1 f   23.900   0.2451   23.900   0.2451   23.900   0.2451 -0.000000 0.000000 
1 1 1  -48    0    2 o   15.810   0.2202   15.810   0.2202   15.810   0.2202 -0.000000 0.000000 
1 1 1  -48    0    3 o   1.4820   0.8287   1.4820   0.8287   1.4820   0.8287 -0.000000 0.000000 
1 1 1  -48    0    4 o   8.2030   0.2866   8.2030   0.2866   8.2030   0.2866 -0.000000 0.000000 
1 1 1  -48    0    5 o   1.8310   0.7892   1.8310   0.7892   1.8310   0.7892 -0.000000 0.000000 
1 1 1  -48    0    6 f   6.5790   0.2154   6.5790   0.2154   6.5790   0.2154 -0.000000 0.000000 
1 1 1  -48    0    7 o   11.810   0.2505   11.810   0.2505   11.810   0.2505 -0.000000 0.000000 
1 1 1  -48    0    8 o   6.8900   0.2735   6.8900   0.2735   6.8900   0.2735 -0.000000 0.000000 
1 1 1  -48    0    9 o   10.040   0.2401   10.040   0.2401   10.040   0.2401 -0.000000 0.000000 
1 1 1  -48    0   10 o   1.5080   0.7936   1.5080   0.7936   1.5080   0.7936 -0.000000 0.000000 
1 1 1  -48    0   11 o   4.9830   0.2556   4.9830   0.2556   4.9830   0.2556 -0.000000 0.000000 
1 1 1  -48    0   12 o   7.6090   0.3034   7.6090   0.3034   7.6090   0.3034 -0.000000 0.000000 
1 1 1  -48    0   13 o   11.410   0.1726   11.410   0.1726   11.410   0.1726 -0.000000 0.000000 
1 1 1  -48    0   14 o   10.120   0.1958   10.120   0.1958   10.120   0.1958 -0.000000 0.000000 
1 1 1  -48    0   15 o   6.7580   0.2772   6.7580   0.2772   6.7580   0.2772 -0.000000 0.000000 
1 1 1  -48    0   16 o   7.4340   0.2711   7.4340   0.2711   7.4340   0.2711 -0.000000 0.000000 
1 1 1  -48    0   17 o   7.7020   0.3931   7.7020   0.3931   7.7020   0.3931 -0.000000 0.000000 
1 1 1  -48    0   18 o   8.6600   0.2630   8.6600   0.2630   8.6600   0.2630 -0.000000 0.000000 
1 1 1  -48    0   19 o   12.450   0.2225   12.450   0.2225   12.450   0.2225 -0.000000 0.000000 
1 1 1  -48    0   20 o   6.5860   0.3634   6.5860   0.3634   6.5860   0.3634 -0.000000 0.000000 
1 1 1  -48    0   21 o   5.3550   0.4598   5.3550   0.4598   5.3550   0.4598 -0.000000 0.000000 
1 1 1  -48    0   22 o   7.9160   0.3342   7.9160   0.3342   7.9160   0.3342 -0.000000 0.000000 
1 1 1  -48    0   23 o   1.5830   0.9334   1.5830   0.9334   1.5830   0.9334 -0.000000 0.000000 
1 1 1  -48    0   24 o   8.9160   0.3336   8.9160   0.3336   8.9160   0.3336 -0.000000 0.000000 
1 1 1  -48    0   25 o   13.210   0.3851   13.210   0.3851   13.210   0.3851 -0.000000 0.000000 
1 1 1  -48    0   26 o   14.840   0.2677   14.840   0.2677   14.840   0.2677 -0.000000 0.000000 
1 1 1  -48    0   27 o   8.7130   0.3872   8.7130   0.3872   8.7130   0.3872 -0.000000 0.000000 
1 1 1  -48    0   28 o   4.5800   0.9361   4.5800   0.9361   4.5800   0.9361 -0.000000 0.000000 
1 1 1  -48    0   29 o   2.6780   1.4940   2.6780   1.4940   2.6780   1.4940 -0.000000 0.000000 
1 1 1  -48    2    1 f   3.3510   0.6235   2.5770   0.9263   4.1260   0.8350 -1.550000 1.247000 
1 1 1  -48    2    2 f   7.2490   0.2567   6.9940   0.4079   7.5040   0.3119 -0.5097000 0.5134000 
1 1 1  -48    2    3 o   5.4200   0.3252   4.6060   0.5421   6.2330   0.3593 -1.627000 0.6504000 
1 1 1  -48    2    4 o   19.930   0.1343   19.720   0.1993   20.150   0.1801 -0.4272000 0.2686000 
1 1 1  -48    2    5 o   25.800   0.2649   25.750   0.4347   25.840   0.3029 -0.8744000E-01 0.5298000 
1 1 1  -48    2    6 o   10.790   0.2526   11.060   0.4136   10.520   0.2901 0.5346000 0.5052000 
1 1 1  -48    2    7 o   21.900   0.2384   22.080   0.3905   21.720   0.2736 0.3654000 0.4768000 
1 1 1  -48    2    8 o   15.000   0.2506   15.160   0.3413   14.850   0.3669 0.3054000 0.5011000 
1 1 1  -48    2    9 o   17.450   0.2111   17.520   0.3432   17.370   0.2458 0.1501000 0.4221000 
1 1 1  -48    2   10 o   3.3740   0.5035   2.7040   0.7859   4.0450   0.6296 -1.341000 1.007000 
1 1 1  -48    2   11 o   11.040   0.1917   10.870   0.2679   11.210   0.2743 -0.3306000 0.3834000 
1 1 1  -48    2   12 o   17.540   0.1805   17.440   0.2535   17.640   0.2571 -0.1986000 0.3611000 
1 1 1  -48    2   13 o   3.7170   0.3277   3.5510   0.4629   3.8830   0.4640 -0.3324000 0.6555000 
1 1 1  -48    2   14 o   11.490   0.1559   11.450   0.2258   11.520   0.2150 -0.6950000E-01 0.3118000 
1 1 1  -48    2   15 o   8.7360   0.1889   8.9140   0.2668   8.5580   0.2676 0.3558000 0.3778000 
1 1 1  -48    2   16 o   5.4110   0.3263   4.5810   0.5084   6.2400   0.4090 -1.659000 0.6525000 
1 1 1  -48    2   17 o   3.3140   0.4774   3.8580   0.5501   2.7710   0.7803 1.087000 0.9548000 
1 1 1  -48    2   18 o   14.930   0.1916   15.200   0.2387   14.650   0.2998 0.5558000 0.3832000 
1 1 1  -48    2   19 o   4.5620   0.3843   4.5310   0.5106   4.5930   0.5745 -0.6144000E-01 0.7686000 
1 1 1  -48    2   20 o   9.9850   0.2046   9.7060   0.2754   10.260   0.3028 -0.5575000 0.4092000 
1 1 1  -48    2   21 o   4.3410   0.4452   3.9590   0.6461   4.7220   0.6126 -0.7634000 0.8903000 
1 1 1  -48    2   22 o   6.6920   0.3039   6.6150   0.4037   6.7690   0.4544 -0.1540000 0.6079000 
1 1 1  -48    2   23 o   6.1450   0.3394   5.7280   0.4819   6.5620   0.4781 -0.8346000 0.6788000 
1 1 1  -48    2   24 o   12.350   0.2451   12.390   0.3084   12.300   0.3811 0.9484000E-01 0.4902000 
1 1 1  -48    2   25 o   7.0560   0.3172   7.1370   0.4245   6.9740   0.4715 0.1625000 0.6344000 
1 1 1  -48    2   26 o   10.080   0.2726   9.3390   0.4173   10.820   0.3507 -1.485000 0.5451000 
1 1 1  -48    2   27 o   8.8680   0.2898   9.3090   0.3697   8.4270   0.4464 0.8821000 0.5796000 
1 1 1  -48    2   28 o   6.5700   0.3874   6.4520   0.5333   6.6880   0.5621 -0.2362000 0.7749000 
1 1 1  -48    2   29 o   8.4730   0.3778   7.8690   0.5343   9.0760   0.5344 -1.207000 0.7557000 
1 1 1  -48    4    1 o   6.5110   0.3226   5.8800   0.5448   7.1420   0.3455 -1.262000 0.6451000 
1 1 1  -48    4    2 o   6.6410   0.2928   6.1640   0.4753   7.1170   0.3423 -0.9524000 0.5857000 
1 1 1  -48    4    3 o   4.4250   0.4248   4.6570   0.5401   4.1940   0.6560 0.4635000 0.8497000 
1 1 1  -48    4    4 o   11.440   0.1475   11.440   0.2330   11.430   0.1810 0.6298000E-02 0.2951000 
1 1 1  -48    4    5 o   8.8310   0.3752   8.7270   0.6001   8.9360   0.4505 -0.2089000 0.7503000 
1 1 1  -48    4    6 o   18.700   0.2578   18.630   0.4205   18.770   0.2985 -0.1373000 0.5156000 
1 1 1  -48    4    7 o   21.670   0.2561   21.750   0.4177   21.590   0.2964 0.1641000 0.5121000 
1 1 1  -48    4    8 o   18.920   0.2551   18.880   0.4231   18.960   0.2852 -0.7953000E-01 0.5103000 
1 1 1  -48    4    9 o   7.4760   0.4360  ?   ?    7.4760   0.4360      ?      ? 
1 1 1  -48    4   10 o   6.7120   0.3334   7.0090   0.4400   6.4150   0.5010 0.5937000 0.6668000 
1 1 1  -48    4   11 o   11.630   0.2205   11.620   0.3083   11.630   0.3154 -0.2052000E-02 0.4411000 
1 1 1  -48    4   12 o   10.170   0.2919   10.090   0.4735   10.260   0.3416 -0.1683000 0.5839000 
1 1 1  -48    4   13 o   10.680   0.1512   10.380   0.2012   10.980   0.2257 -0.6021000 0.3023000 
1 1 1  -48    4   14 o   5.8760   0.2688   5.6650   0.3959   6.0870   0.3637 -0.4221000 0.5376000 
1 1 1  -48    4   15 o   12.880   0.1508   13.010   0.2017   12.750   0.2241 0.2655000 0.3015000 
1 1 1  -48    4   16 o   4.4900   0.3588   4.6120   0.4828   4.3680   0.5310 0.2447000 0.7177000 
1 1 1  -48    4   17 o   9.4780   0.1931   9.4970   0.2579   9.4580   0.2875 0.3883000E-01 0.3862000 
1 1 1  -48    4   18 o   5.9870   0.3961   6.5180   0.4219   5.4550   0.6706 1.063000 0.7923000 
1 1 1  -48    4   19 o   11.170   0.1861   11.170   0.2463   11.170   0.2791 0.7343000E-02 0.3723000 
1 1 1  -48    4   20 o   17.000   0.1650   17.150   0.2185   16.850   0.2472 0.3035000 0.3300000 
1 1 1  -48    4   21 o   13.350   0.1825   13.670   0.2408   13.030   0.2743 0.6452000 0.3650000 
1 1 1  -48    4   22 o   7.5390   0.2766   7.5270   0.3774   7.5500   0.4046 -0.2355000E-01 0.5533000 
1 1 1  -48    4   23 f   5.7960   0.4369   5.7460   0.5598   5.8470   0.6709 -0.1004000 0.8738000 
1 1 1  -48    4   24 o   7.0800   0.3151   7.4490   0.4073   6.7110   0.4810 0.7383000 0.6302000 
1 1 1  -48    4   25 o   7.1700   0.3234   7.4210   0.4204   6.9180   0.4914 0.5032000 0.6467000 
1 1 1  -48    4   26 o   3.0530   0.6793   2.6380   0.9882   3.4670   0.9323 -0.8284000 1.359000 
1 1 1  -48    4   27 o   2.7560   0.6414   3.4410   0.9142   2.0710   0.8999 1.370000 1.283000 
1 1 1  -48    4   28 f   3.4460   0.7530   3.3440   1.0670   3.5470   1.0630 -0.2030000 1.506000 
1 1 1  -48    4   29 o   1.9140   0.6055   2.1240   0.9037   1.7050   0.8062 0.4189000 1.211000 
1 1 1  -48    6    1 o   11.640   0.2104   11.490   0.3427   11.790   0.2440 -0.3004000 0.4207000 
1 1 1  -48    6    2 o   3.2650   0.5750   3.7090   0.8500   2.8220   0.7747 0.8871000 1.150000 
1 1 1  -48    6    3 f   9.2680   0.2408   9.6280   0.3334   8.9080   0.3475 0.7202000 0.4816000 
1 1 1  -48    6    4 o   6.8900   0.2358   6.8700   0.3838   6.9100   0.2741 -0.4037000E-01 0.4716000 
1 1 1  -48    6    5 o   13.230   0.2706   13.510   0.4972   12.940   0.2139 0.5651000 0.5412000 
1 1 1  -48    6    6 o   3.0300   0.7765   3.8180   1.2230   2.2410   0.9565 1.576000 1.553000 
1 1 1  -48    6    7 o   20.570   0.2713   20.510   0.4418   20.630   0.3150 -0.1258000 0.5426000 
1 1 1  -48    6    8 o   15.360   0.2726   15.210   0.4421   15.510   0.3191 -0.3065000 0.5452000 
1 1 1  -48    6    9 o   11.050   0.2649   10.800   0.3781   11.300   0.3712 -0.4966000 0.5298000 
1 1 1  -48    6   10 o   12.220   0.2409   12.320   0.3358   12.120   0.3456 0.1924000 0.4818000 
1 1 1  -48    6   11 o   3.4370   0.6744   3.6650   0.9191   3.2090   0.9872 0.4559000 1.349000 
1 1 1  -48    6   12 o   15.750   0.1855   15.540   0.3069   15.960   0.2085 -0.4167000 0.3710000 
1 1 1  -48    6   13 o   13.270   0.1392   13.460   0.1791   13.080   0.2132 0.3722000 0.2785000 
1 1 1  -48    6   14 o   5.9210   0.2797   5.6560   0.4256   6.1860   0.3629 -0.5297000 0.5593000 
1 1 1  -48    6   15 o   9.2620   0.1908   9.3520   0.2521   9.1720   0.2866 0.1796000 0.3816000 
1 1 1  -48    6   16 o   5.5950   0.2947   5.5650   0.4122   5.6240   0.4212 -0.5909000E-01 0.5893000 
1 1 1  -48    6   17 o   2.7130   0.5717   2.6710   0.8005   2.7550   0.8165 -0.8471000E-01 1.143000 
1 1 1  -48    6   18 o   5.8480   0.4057   5.7350   0.5220   5.9610   0.6211 -0.2255000 0.8113000 
1 1 1  -48    6   19 o   9.2860   0.2223   9.2290   0.3034   9.3430   0.3249 -0.1137000 0.4445000 
1 1 1  -48    6   20 o   5.7730   0.3427   5.9810   0.4483   5.5650   0.5184 0.4162000 0.6854000 
1 1 1  -48    6   21 o   16.260   0.1764   16.010   0.2360   16.510   0.2623 -0.5031000 0.3529000 
1 1 1  -48    6   22 o   7.1280   0.3539   7.0770   0.4617   7.1790   0.5366 -0.1019000 0.7079000 
1 1 1  -48    6   23 o   1.6130   0.5289   1.5800   0.7348   1.6460   0.7609 -0.6633000E-01 1.058000 
1 1 1  -48    6   24 o   6.5590   0.3434   6.3100   0.4866   6.8090   0.4846 -0.4990000 0.6867000 
1 1 1  -48    6   25 o   5.4000   0.4245   5.2710   0.5990   5.5300   0.6015 -0.2586000 0.8489000 
1 1 1  -48    6   26 o   3.1460   0.6876   3.6450   0.9769   2.6470   0.9678 0.9987000 1.375000 
1 1 1  -48    6   27 o   6.6590   0.4371   6.3730   0.6389   6.9450   0.5966 -0.5713000 0.8742000 
1 1 1  -48    6   28 o   8.5130   0.3092   8.2000   0.4388   8.8270   0.4356 -0.6267000 0.6183000 
1 1 1  -48    8    1 o   4.5130   0.4281   4.9430   0.5589   4.0820   0.6487 0.8609000 0.8563000 
1 1 1  -48    8    2 f   13.180   0.1705   13.180   0.2520   13.190   0.2296 -0.9582000E-02 0.3409000 
1 1 1  -48    8    3 o   3.6760   0.4655   4.0300   0.6275   3.3220   0.6878 0.7077000 0.9310000 
1 1 1  -48    8    4 o   11.440   0.1628   11.480   0.2408   11.400   0.2192 0.7461000E-01 0.3256000 
1 1 1  -48    8    5 o   3.4590   0.5784   3.9570   0.7471   2.9620   0.8832 0.9944000 1.157000 
1 1 1  -48    8    6 o   9.2270   0.2152   8.9850   0.3018   9.4690   0.3070 -0.4837000 0.4305000 
1 1 1  -48    8    7 o   6.7170   0.2135   6.8070   0.3383   6.6280   0.2606 0.1786000 0.4270000 
1 1 1  -48    8    8 o   3.4230   0.5596   3.0080   1.0420   3.8380   0.4097 -0.8295000 1.119000 
1 1 1  -48    8    9 o   5.8960   0.3728   5.8200   0.6978   5.9720   0.2625 -0.1520000 0.7455000 
1 1 1  -48    8   10 o   12.800   0.1260   12.730   0.1778   12.860   0.1785 -0.1311000 0.2520000 
1 1 1  -48    8   11 o   24.850   0.1672   24.800   0.2132   24.900   0.2577 -0.9967000E-01 0.3345000 
1 1 1  -48    8   12 o   7.1190   0.2432   7.2330   0.3402   7.0040   0.3477 0.2297000 0.4864000 
1 1 1  -48    8   13 o   15.120   0.1380   15.200   0.1968   15.050   0.1936 0.1469000 0.2761000 
1 1 1  -48    8   14 o   3.1410   0.4835   2.7860   0.7537   3.4960   0.6059 -0.7100000 0.9670000 
1 1 1  -48    8   15 o   9.2730   0.2012   9.1490   0.2710   9.3970   0.2975 -0.2479000 0.4024000 
1 1 1  -48    8   16 o   9.3520   0.2317   9.8080   0.2716   8.8960   0.3753 0.9121000 0.4633000 
1 1 1  -48    8   17 o   8.4000   0.3155   8.5650   0.3779   8.2350   0.5053 0.3308000 0.6310000 
1 1 1  -48    8   18 o   6.9000   0.2939   7.6850   0.3469   6.1150   0.4745 1.570000 0.5878000 
1 1 1  -48    8   19 o   10.220   0.2275   10.210   0.3235   10.240   0.3200 -0.3027000E-01 0.4550000 
1 1 1  -48    8   20 o   20.580   0.2133   20.200   0.2653   20.960   0.3340 -0.7580000 0.4266000 
1 1 1  -48    8   21 o   9.6080   0.2439   9.2920   0.3371   9.9250   0.3525 -0.6332000 0.4878000 
1 1 1  -48    8   22 o   6.0780   0.3693   6.2380   0.4968   5.9170   0.5467 0.3210000 0.7387000 
1 1 1  -48    8   23 o   2.8900   0.5697   3.9860   0.8006   1.7930   0.8107 2.194000 1.139000 
1 1 1  -48    8   24 o   2.8850   0.6784   2.7160   0.9523   3.0540   0.9663 -0.3375000 1.357000 
1 1 1  -48    8   25 o   6.7590   0.4731   6.6920   0.7336   6.8260   0.5975 -0.1340000 0.9462000 
1 1 1  -48    8   26 o   8.7170   0.3449   8.2710   0.5081   9.1630   0.4667 -0.8913000 0.6899000 
1 1 1  -48    8   27 o   2.2930   0.6527   2.6090   0.9634   1.9770   0.8808 0.6322000 1.305000 
1 1 1  -48    8   28 o   2.9060   0.7163   2.8140   0.9892   2.9990   1.0360 -0.1847000 1.433000 
1 1 1  -48   10    1 o   5.8210   0.4414   6.3700   0.6334   5.2730   0.6149 1.096000 0.8828000 
1 1 1  -48   10    2 o   6.1220   0.4057   6.4240   0.6064   5.8200   0.5389 0.6040000 0.8113000 
1 1 1  -48   10    3 o   5.7690   0.3248   5.8190   0.4780   5.7190   0.4398 0.1004000 0.6495000 
1 1 1  -48   10    4 f   8.8830   0.2156   9.1110   0.3167   8.6550   0.2925 0.4563000 0.4311000 
1 1 1  -48   10    5 o   7.7670   0.2332   7.8520   0.3441   7.6830   0.3148 0.1689000 0.4664000 
1 1 1  -48   10    6 o   8.7520   0.2762  ?   ?    8.7520   0.2762      ?      ? 
1 1 1  -48   10    7 f   2.0890   0.5932   2.3460   0.9206   1.8330   0.7483 0.5132000 1.186000 
1 1 1  -48   10    8 o   3.3830   0.5170   3.6210   0.7629   3.1450   0.6979 0.4752000 1.034000 
1 1 1  -48   10    9 o   8.4590   0.2211   8.2580   0.3441   8.6600   0.2779 -0.4016000 0.4423000 
1 1 1  -48   10   10 o   9.6800   0.2077   9.6880   0.3276   9.6710   0.2556 0.1697000E-01 0.4155000 
1 1 1  -48   10   11 o   15.470   0.1668   15.570   0.2576   15.370   0.2119 0.1918000 0.3336000 
1 1 1  -48   10   12 o   7.9140   0.2466   7.5710   0.3938   8.2580   0.2971 -0.6875000 0.4933000 
1 1 1  -48   10   13 o   21.080   0.1689   21.090   0.2606   21.080   0.2150 0.9010000E-02 0.3378000 
1 1 1  -48   10   14 o   10.520   0.2055   10.700   0.3195   10.350   0.2587 0.3462000 0.4111000 
1 1 1  -48   10   15 o   7.4130   0.3000   7.9290   0.4078   6.8980   0.4401 1.031000 0.6000000 
1 1 1  -48   10   16 o   8.8100   0.2831   9.4200   0.4216   8.2000   0.3778 1.220000 0.5661000 
1 1 1  -48   10   17 o   16.940   0.2068   16.690   0.2554   17.190   0.3252 -0.4910000 0.4135000 
1 1 1  -48   10   18 o   13.770   0.2173   14.250   0.2480   13.300   0.3568 0.9504000 0.4346000 
1 1 1  -48   10   19 o   3.8290   0.5600   4.4450   0.6424   3.2130   0.9174 1.232000 1.120000 
1 1 1  -48   10   20 o   8.6480   0.2646   9.1600   0.3342   8.1370   0.4103 1.023000 0.5292000 
1 1 1  -48   10   21 o   7.4500   0.2979   7.5380   0.4011   7.3630   0.4406 0.1749000 0.5958000 
1 1 1  -48   10   22 o   13.870   0.2062   14.050   0.2762   13.690   0.3063 0.3615000 0.4124000 
1 1 1  -48   10   23 o   16.660   0.2132   16.830   0.3064   16.500   0.2964 0.3297000 0.4263000 
1 1 1  -48   10   24 o   4.8510   0.6010   4.1730   0.9531   5.5290   0.7323 -1.356000 1.202000 
1 1 1  -48   10   25 f   8.7700   0.3216   8.7340   0.4745   8.8070   0.4342 -0.7359000E-01 0.6431000 
1 1 1  -48   10   26 o   3.1970   0.7015   3.2540   0.9853   3.1400   0.9988 0.1140000 1.403000 
1 1 1  -48   10   27 o   5.2070   0.5077   4.8660   0.7461   5.5470   0.6887 -0.6804000 1.015000 
1 1 1  -48   12    1 o   2.4060   0.5962   1.7950   0.8095   3.0170   0.8754 -1.222000 1.192000 
1 1 1  -48   12    2 o   4.4730   0.5214   4.1170   0.8207   4.8300   0.6434 -0.7138000 1.043000 
1 1 1  -48   12    3 o   14.010   0.2064   14.150   0.3063   13.870   0.2769 0.2783000 0.4129000 
1 1 1  -48   12    4 o   5.8040   0.5364   4.9810   0.9292   6.6270   0.5362 -1.645000 1.073000 
1 1 1  -48   12    5 o   10.660   0.3104   10.770   0.4923   10.550   0.3781 0.2252000 0.6207000 
1 1 1  -48   12    6 o   8.2440   0.3663   7.6580   0.5953   8.8290   0.4270 -1.171000 0.7326000 
1 1 1  -48   12    7 o   13.570   0.2057   13.670   0.3317   13.470   0.2432 0.1915000 0.4113000 
1 1 1  -48   12    8 o   8.8570   0.2556   9.4260   0.4021   8.2880   0.3158 1.138000 0.5112000 
1 1 1  -48   12    9 o   17.100   0.1938   17.240   0.3143   16.960   0.2269 0.2836000 0.3876000 
1 1 1  -48   12   10 o   5.5210   0.4255   5.0720   0.7082   5.9700   0.4718 -0.8984000 0.8510000 
1 1 1  -48   12   11 o   10.890   0.2614   10.630   0.3725   11.160   0.3669 -0.5274000 0.5229000 
1 1 1  -48   12   12 o   12.490   0.2484   12.010   0.3590   12.960   0.3434 -0.9555000 0.4968000 
1 1 1  -48   12   13 o   13.130   0.2509   13.210   0.3576   13.050   0.3520 0.1605000 0.5017000 
1 1 1  -48   12   14 o   20.830   0.1826   20.890   0.2832   20.760   0.2305 0.1266000 0.3652000 
1 1 1  -48   12   15 o   6.5610   0.3390   6.3680   0.5433   6.7550   0.4057 -0.3875000 0.6781000 
1 1 1  -48   12   16 o   18.280   0.1860   18.550   0.2892   18.010   0.2338 0.5395000 0.3719000 
1 1 1  -48   12   17 o   9.2070   0.2603   9.0550   0.4135   9.3590   0.3164 -0.3038000 0.5207000 
1 1 1  -48   12   18 o   10.900   0.2526   10.750   0.3680   11.050   0.3460 -0.3025000 0.5051000 
1 1 1  -48   12   19 o   20.710   0.2049   20.760   0.2933   20.660   0.2861 0.1008000 0.4097000 
1 1 1  -48   12   20 o   13.210   0.2343   13.040   0.3438   13.390   0.3184 -0.3525000 0.4686000 
1 1 1  -48   12   21 o   2.6280   0.7062   2.3710   0.9627   2.8850   1.0340 -0.5139000 1.412000 
1 1 1  -48   12   22 o   17.530   0.2303   17.580   0.3041   17.480   0.3460 0.9815000E-01 0.4607000 
1 1 1  -48   12   23 o   6.3820   0.4221   6.5630   0.6011   6.2010   0.5926 0.3616000 0.8442000 
1 1 1  -48   12   24 o   8.1190   0.3510   8.1140   0.5079   8.1240   0.4845 -0.1003000E-01 0.7019000 
1 1 1  -48   12   25 f   7.8210   0.3467   8.4810   0.4323   7.1620   0.5421 1.319000 0.6934000 
1 1 1  -48   12   26 o   2.4140   0.6790   2.8280   1.0120   2.0000   0.9061 0.8280000 1.358000 
1 1 1  -48   14    1 o   2.2950   0.6472   2.4520   0.9533   2.1370   0.8756 0.3158000 1.294000 
1 1 1  -48   14    2 o   7.6440   0.3062   7.8700   0.4458   7.4170   0.4197 0.4526000 0.6123000 
1 1 1  -48   14    3 o   5.7030   0.3975   5.3820   0.6217   6.0240   0.4955 -0.6419000 0.7950000 
1 1 1  -48   14    4 o   2.3530   0.6386   2.3600   0.9219   2.3450   0.8839 0.1447000E-01 1.277000 
1 1 1  -48   14    5 o   5.9290   0.3787   5.5160   0.6020   6.3420   0.4596 -0.8264000 0.7574000 
1 1 1  -48   14    6 o   6.9990   0.3060   7.1060   0.4540   6.8910   0.4104 0.2148000 0.6120000 
1 1 1  -48   14    7 o   6.4200   0.3550   6.2810   0.5683   6.5580   0.4255 -0.2773000 0.7099000 
1 1 1  -48   14    8 o   11.640   0.2224   11.670   0.3453   11.620   0.2804 0.4635000E-01 0.4449000 
1 1 1  -48   14    9 o   3.3640   0.6111   3.0090   0.9714   3.7180   0.7417 -0.7092000 1.222000 
1 1 1  -48   14   10 o   4.4760   0.4909   5.0130   0.6812   3.9400   0.7070 1.073000 0.9818000 
1 1 1  -48   14   11 o   3.8580   0.5795   3.8880   0.8959   3.8280   0.7353 0.6041000E-01 1.159000 
1 1 1  -48   14   12 o   7.5900   0.3107   8.0960   0.4528   7.0830   0.4257 1.013000 0.6215000 
1 1 1  -48   14   13 o   5.6900   0.4585   6.8430   0.6356   4.5380   0.6610 2.305000 0.9170000 
1 1 1  -48   14   14 o   8.4520   0.2854   8.5630   0.4406   8.3410   0.3629 0.2217000 0.5708000 
1 1 1  -48   14   15 o   6.3210   0.3698   6.9360   0.5306   5.7050   0.5151 1.231000 0.7395000 
1 1 1  -48   14   16 o   4.3150   0.5515   4.6310   0.8082   3.9990   0.7507 0.6323000 1.103000 
1 1 1  -48   14   17 o   12.100   0.2293   12.160   0.3563   12.040   0.2887 0.1198000 0.4586000 
1 1 1  -48   14   18 o   9.3700   0.3200   9.7560   0.5170   8.9830   0.3771 0.7726000 0.6399000 
1 1 1  -48   14   19 o   6.3000   0.4631   6.2330   0.7649   6.3660   0.5221 -0.1330000 0.9261000 
1 1 1  -48   14   20 o   13.210   0.2471   13.030   0.3575   13.390   0.3412 -0.3546000 0.4942000 
1 1 1  -48   14   21 o   2.1470   0.6575   2.1890   0.9468   2.1050   0.9127 0.8340000E-01 1.315000 
1 1 1  -48   14   22 o   6.5880   0.5030   6.3190   0.8298   6.8580   0.5689 -0.5391000 1.006000 
1 1 1  -48   14   23 o   2.3760   0.6965   2.4010   0.9969   2.3520   0.9729 0.4974000E-01 1.393000 
1 1 1  -48   14   24 o   1.9560   0.6211   2.4430   1.0110   1.4680   0.7212 0.9750000 1.242000 
1 1 1  -48   16    1 o   3.1620   0.7049   2.9860   1.0050   3.3390   0.9892 -0.3534000 1.410000 
1 1 1  -48   16    2 o   3.9640   0.6185   3.1130   1.0050   4.8150   0.7205 -1.702000 1.237000 
1 1 1  -48   16    3 o   5.9160   0.4287   5.6260   0.6493   6.2050   0.5600 -0.5795000 0.8574000 
1 1 1  -48   16    4 o   12.740   0.2352   12.790   0.3372   12.690   0.3280 0.1021000 0.4705000 
1 1 1  -48   16    5 o   8.4820   0.3022   8.0080   0.4562   8.9570   0.3964 -0.9493000 0.6044000 
1 1 1  -48   16    6 o   6.1610   0.3520   6.2290   0.4856   6.0930   0.5097 0.1355000 0.7040000 
1 1 1  -48   16    7 o   7.0070   0.3080   6.8690   0.4420   7.1460   0.4291 -0.2767000 0.6160000 
1 1 1  -48   16    8 o   8.4220   0.3079   8.9470   0.4650   7.8970   0.4038 1.050000 0.6159000 
1 1 1  -48   16    9 o   7.7220   0.3278   7.8330   0.5091   7.6100   0.4133 0.2236000 0.6557000 
1 1 1  -48   16   10 o   2.4390   0.6927   2.9880   1.1070   1.8900   0.8333 1.097000 1.385000 
1 1 1  -48   16   11 o   6.4820   0.4505   6.2990   0.7455   6.6660   0.5059 -0.3674000 0.9009000 
1 1 1  -48   16   12 f   2.0760   0.6468   2.0080   0.9300   2.1450   0.8991 -0.1367000 1.294000 
1 1 1  -48   16   13 o   7.5710   0.3956   7.3100   0.6483   7.8320   0.4538 -0.5211000 0.7913000 
1 1 1  -48   16   14 o   14.380   0.2534   14.590   0.4007   14.160   0.3104 0.4335000 0.5069000 
1 1 1  -48   16   15 o   11.700   0.2432   11.380   0.3852   12.020   0.2969 -0.6395000 0.4864000 
1 1 1  -48   16   16 o   3.3840   0.6831   3.5770   1.0230   3.1900   0.9054 0.3877000 1.366000 
1 1 1  -48   16   17 o   6.3910   0.4002   6.1340   0.6376   6.6480   0.4838 -0.5147000 0.8004000 
1 1 1  -48   16   18 o   12.520   0.2439   12.400   0.3813   12.630   0.3043 -0.2367000 0.4878000 
1 1 1  -48   16   19 o   8.7870   0.3429   9.2360   0.4789   8.3370   0.4909 0.8995000 0.6858000 
1 1 1  -48   16   20 o   11.370   0.3281   11.520   0.5181   11.210   0.4027 0.3164000 0.6562000 
1 1 1  -48   16   21 o   7.4540   0.3716   7.6830   0.5661   7.2250   0.4816 0.4582000 0.7432000 
1 1 1  -48   16   22 o   9.5630   0.3296   9.5390   0.4794   9.5880   0.4525 -0.4939000E-01 0.6593000 
1 1 1  -48   16   23 o   5.5640   1.5720   5.5640   1.5720  ?   ?       ?      ? 
1 1 1  -48   18    1 o   3.9410   0.7545   4.8670   1.0360   3.0150   1.0980 1.852000 1.509000 
1 1 1  -48   18    2 o   2.7310   0.7190   3.0400   1.0190   2.4210   1.0140 0.6188000 1.438000 
1 1 1  -48   18    3 o   3.3120   0.6940   3.2750   1.0050   3.3480   0.9578 -0.7269000E-01 1.388000 
1 1 1  -48   18    4 o   5.5720   0.4627   5.8640   0.6495   5.2800   0.6593 0.5843000 0.9255000 
1 1 1  -48   18    5 o   4.4240   0.5853   5.7860   0.6515   3.0620   0.9725 2.724000 1.171000 
1 1 1  -48   18    6 o   3.2870   0.6403   2.9350   0.9417   3.6390   0.8680 -0.7036000 1.281000 
1 1 1  -48   18    7 o   2.1260   0.6168   1.8100   0.8195   2.4420   0.9221 -0.6318000 1.234000 
1 1 1  -48   18    8 o   4.7270   0.5628   5.1470   0.8261   4.3080   0.7646 0.8393000 1.126000 
1 1 1  -48   18    9 o   2.8340   0.7000   3.1930   1.0490   2.4750   0.9269 0.7184000 1.400000 
1 1 1  -48   18   10 o   8.9720   0.3046   9.0410   0.4684   8.9030   0.3897 0.1377000 0.6093000 
1 1 1  -48   18   11 f   3.8760   0.6580   3.8490   1.0140   3.9030   0.8384 -0.5389000E-01 1.316000 
1 1 1  -48   18   12 o   4.6080   0.5858   4.6310   0.9259   4.5860   0.7180 0.4446000E-01 1.172000 
1 1 1  -48   18   13 o   2.2740   0.6643   2.1260   0.9441   2.4230   0.9347 -0.2976000 1.329000 
1 1 1  -48   18   14 o   2.3240   0.6527   3.0430   1.0630   1.6050   0.7581 1.438000 1.305000 
1 1 1  -48   18   15 o   3.9920   0.6462   3.0440   1.0780   4.9410   0.7130 -1.897000 1.292000 
1 1 1  -48   18   16 o   6.8460   0.5152   7.2290   0.7807   6.4620   0.6726 0.7670000 1.030000 
1 1 1  -48   18   17 o   4.0830   0.7534   3.4990   1.2130   4.6670   0.8945 -1.168000 1.507000 
1 1 1  -48   18   18 o   1.7780   0.5953   1.7820   0.8683   1.7730   0.8145 0.9476000E-02 1.191000 
1 1 1  -48   18   19 o   3.2300   0.7213   3.0090   1.0820   3.4510   0.9541 -0.4412000 1.443000 
1 1 1  -48   18   20 o   5.9680   0.5002   5.2040   0.8491   6.7310   0.5291 -1.526000 1.000000 
1 1 1  -48   20    1 o   2.8430   0.7221   2.4870   1.0270   3.2000   1.0150 -0.7128000 1.444000 
1 1 1  -48   20    2 o   3.9590   0.6777   3.2760   1.0810   4.6420   0.8181 -1.366000 1.355000 
1 1 1  -48   20    3 f   2.4020   0.6915   2.2490   0.9695   2.5560   0.9862 -0.3064000 1.383000 
1 1 1  -48   20    4 o   3.7010   0.6979   4.1190   0.9758   3.2830   0.9982 0.8358000 1.396000 
1 1 1  -48   20    5 o   10.070   0.2968   9.5980   0.4526   10.550   0.3839 -0.9522000 0.5935000 
1 1 1  -48   20    6 o   3.0040   0.7126   2.4970   1.0290   3.5110   0.9859 -1.014000 1.425000 
1 1 1  -48   20    7 o   5.6400   0.5912   6.7100   0.6467   4.5690   0.9898 2.141000 1.182000 
1 1 1  -48   20    8 o   2.4250   0.7378   2.2300   1.0340   2.6190   1.0530 -0.3893000 1.476000 
1 1 1  -48   20    9 o   7.1760   0.4983   7.3240   0.7731   7.0290   0.6287 0.2949000 0.9965000 
1 1 1  -48   20   10 o   3.2380   0.8083   3.8640   1.2260   2.6130   1.0530 1.251000 1.617000 
1 1 1  -48   20   11 o   8.2500   0.4677   7.5590   0.7825   8.9410   0.5125 -1.383000 0.9354000 
1 1 1  -48   20   12 o   2.5230   0.7459   2.5470   1.1360   2.4990   0.9672 0.4793000E-01 1.492000 
1 1 1  -48   20   13 o   6.6620   0.4422   6.8500   0.6809   6.4750   0.5642 0.3755000 0.8843000 
1 1 1  -48   20   14 o   6.2020   0.4786   5.8230   0.7778   6.5810   0.5579 -0.7573000 0.9572000 
1 1 1  -48   20   15 o   2.5750   0.7038   2.3450   1.0020   2.8060   0.9886 -0.4609000 1.408000 
1 1 1  -48   20   16 o   3.6810   0.7101   4.1220   1.0160   3.2390   0.9922 0.8834000 1.420000 
1 1 1  -48   20   17 o   2.1100   0.6614   2.0980   0.9357   2.1210   0.9350 -0.2224000E-01 1.323000 
1 1 1  -48   22    1 o   2.4840   0.7631   3.1120   1.2460   1.8560   0.8811 1.256000 1.526000 
1 1 1  -48   22    2 o   3.7910   0.7397   4.2500   1.0500   3.3310   1.0420 0.9190000 1.479000 
1 1 1  -48   22    3 o   4.4480   0.6728   4.2030   1.0310   4.6930   0.8650 -0.4901000 1.346000 
1 1 1  -48   22    4 o   2.2740   0.6640   3.0790   1.1140   1.4690   0.7233 1.611000 1.328000 
1 1 1  -48   22    5 o   2.7970   0.7433   2.9920   1.0970   2.6020   1.0030 0.3897000 1.487000 
1 1 1  -48   22    6 o   2.6340   0.7035   3.2020   1.0740   2.0660   0.9090 1.137000 1.407000 
1 1 1  -48   22    7 o   4.2870   0.6552   4.5660   0.9248   4.0090   0.9284 0.5578000 1.310000 
1 1 1  -48   22    8 o   3.7280   0.6632   2.5450   1.0750   4.9110   0.7769 -2.366000 1.326000 
1 1 1  -48   22    9 o   7.7910   0.3957   7.7530   0.6153   7.8300   0.4978 -0.7682000E-01 0.7915000 
1 1 1  -48   22   10 o   3.2970   0.7198   2.7030   1.0770   3.8910   0.9553 -1.188000 1.440000 
1 1 1  -48   22   11 o   3.1390   0.6636   1.9810   0.9190   4.2970   0.9576 -2.316000 1.327000 
1 1 1  -48   22   12 o   1.9860   0.6385   2.4420   1.0370   1.5310   0.7445 0.9106000 1.277000 
1 1 1  -48   22   13 o   2.3210   0.6893   2.0790   0.9544   2.5640   0.9949 -0.4850000 1.379000 
1 1 1  -47    1    1 o   11.490   0.2084   11.760   0.3112   11.220   0.2773 0.5382000 0.4168000 
1 1 1  -47    1    2 o   14.100   0.1746   13.920   0.2690   14.290   0.2226 -0.3709000 0.3492000 
1 1 1  -47    1    3 o   4.3910   0.4050   3.6690   0.7018   5.1130   0.4043 -1.445000 0.8100000 
1 1 1  -47    1    4 o   13.650   0.1248   13.740   0.1867   13.570   0.1656 0.1664000 0.2496000 
1 1 1  -47    1    5 o   10.840   0.1485   10.640   0.2434   11.040   0.1702 -0.3980000 0.2970000 
1 1 1  -47    1    6 o   11.400   0.3480  ?   ?    11.400   0.3480      ?      ? 
1 1 1  -47    1    7 o   12.420   0.2248  ?   ?    12.420   0.2248      ?      ? 
1 1 1  -47    1    8 o   8.1570   0.2347   7.8340   0.3909   8.4810   0.2597 -0.6466000 0.4693000 
1 1 1  -47    1    9 o   21.910   0.2526  ?   ?    21.910   0.2526      ?      ? 
1 1 1  -47    1   10 o   14.920   0.2305   15.190   0.3112   14.650   0.3401 0.5439000 0.4610000 
1 1 1  -47    1   11 o   5.3620   0.3562   5.0750   0.6397   5.6490   0.3137 -0.5741000 0.7125000 
1 1 1  -47    1   12 o   4.2020   0.2697   4.3370   0.3412   4.0670   0.4176 0.2693000 0.5393000 
1 1 1  -47    1   13 o   12.770   0.1436   12.410   0.2060   13.140   0.2002 -0.7347000 0.2873000 
1 1 1  -47    1   14 o   16.950   0.1451   16.860   0.2047   17.040   0.2058 -0.1803000 0.2903000 
1 1 1  -47    1   15 o   7.2170   0.2044   6.9830   0.2789   7.4500   0.2989 -0.4671000 0.4088000 
1 1 1  -47    1   16 o   2.0550   0.5593   1.7320   0.7417   2.3780   0.8372 -0.6462000 1.119000 
1 1 1  -47    1   17 o   9.7560   0.2205   9.5820   0.2718   9.9300   0.3473 -0.3482000 0.4410000 
1 1 1  -47    1   18 o   7.3280   0.2322   6.8550   0.3270   7.8010   0.3297 -0.9465000 0.4644000 
1 1 1  -47    1   19 o   17.060   0.1587   17.060   0.2079   17.050   0.2399 0.9350000E-02 0.3174000 
1 1 1  -47    1   20 o   6.4720   0.2868   6.1570   0.3974   6.7860   0.4136 -0.6291000 0.5736000 
1 1 1  -47    1   21 o   7.2500   0.2691   7.6250   0.3382   6.8750   0.4188 0.7502000 0.5383000 
1 1 1  -47    1   22 o   8.0100   0.2566   8.0040   0.3389   8.0160   0.3853 -0.1204000E-01 0.5131000 
1 1 1  -47    1   23 o   9.6570   0.2303   9.6060   0.3059   9.7090   0.3442 -0.1026000 0.4605000 
1 1 1  -47    1   24 o   2.3100   0.6157   1.7520   0.7968   2.8680   0.9388 -1.116000 1.231000 
1 1 1  -47    1   25 o   10.310   0.2853   10.350   0.3613   10.270   0.4416 0.7621000E-01 0.5706000 
1 1 1  -47    1   26 o   5.7450   0.4101   5.1410   0.5964   6.3480   0.5631 -1.207000 0.8202000 
1 1 1  -47    1   27 o   13.330   0.2196   13.270   0.2884   13.380   0.3311 -0.1123000 0.4391000 
1 1 1  -47    1   28 o   8.0350   0.3287   8.6160   0.4108   7.4550   0.5132 1.161000 0.6574000 
1 1 1  -47    1   29 o   3.6730   0.8765   3.3040   1.1610   4.0410   1.3130 -0.7371000 1.753000 
1 1 1  -47    3    1 o   2.2660   0.6258   1.9530   0.8467   2.5780   0.9217 -0.6245000 1.252000 
1 1 1  -47    3    2 o   13.800   0.1804   13.380   0.2764   14.220   0.2320 -0.8348000 0.3609000 
1 1 1  -47    3    3 o   16.180   0.1693   16.160   0.2546   16.200   0.2231 -0.4160000E-01 0.3385000 
1 1 1  -47    3    4 f   15.120   0.1541   14.610   0.2260   15.630   0.2095 -1.019000 0.3082000 
1 1 1  -47    3    5 o   11.030   0.2932   11.030   0.4749   11.040   0.3441 -0.1379000E-01 0.5865000 
1 1 1  -47    3    6 o   8.8490   0.3311   9.1830   0.5275   8.5160   0.4002 0.6668000 0.6622000 
1 1 1  -47    3    7 o   16.840   0.2345   16.650   0.3801   17.030   0.2746 -0.3828000 0.4689000 
1 1 1  -47    3    8 o   9.1910   0.3240   8.6970   0.5527   9.6860   0.3383 -0.9891000 0.6480000 
1 1 1  -47    3    9 o   9.2610   0.2950   9.2690   0.4809   9.2540   0.3418 0.1476000E-01 0.5900000 
1 1 1  -47    3   10 o   5.0080   0.4084   5.4040   0.5105   4.6110   0.6375 0.7925000 0.8167000 
1 1 1  -47    3   11 f   13.140   0.1975   13.060   0.2728   13.230   0.2858 -0.1661000 0.3951000 
1 1 1  -47    3   12 o   10.130   0.2236   10.130   0.3109   10.140   0.3214 -0.8759000E-02 0.4472000 
1 1 1  -47    3   13 o   12.170   0.1345   12.440   0.1770   11.910   0.2025 0.5226000 0.2690000 
1 1 1  -47    3   14 o   3.3640   0.5140   3.8830   0.6986   2.8440   0.7543 1.038000 1.028000 
1 1 1  -47    3   15 o   10.280   0.2569   10.280   0.2569  ?   ?       ?      ? 
1 1 1  -47    3   16 o   12.050   0.1593   12.390   0.2095   11.710   0.2400 0.6856000 0.3186000 
1 1 1  -47    3   17 o   12.910   0.1641   12.770   0.2169   13.050   0.2464 -0.2791000 0.3282000 
1 1 1  -47    3   18 o   12.720   0.2105   12.600   0.2601   12.840   0.3311 -0.2379000 0.4210000 
1 1 1  -47    3   19 o   15.820   0.1637   15.770   0.2137   15.870   0.2481 -0.9050000E-01 0.3274000 
1 1 1  -47    3   20 o   13.340   0.1767   13.580   0.2311   13.090   0.2675 0.4879000 0.3535000 
1 1 1  -47    3   21 o   3.0690   0.5409   3.8860   0.6599   2.2520   0.8573 1.634000 1.082000 
1 1 1  -47    3   22 o   11.990   0.1984   11.930   0.2666   12.040   0.2940 -0.1036000 0.3968000 
1 1 1  -47    3   23 f   2.4510   0.6294   2.5890   0.8811   2.3140   0.8991 0.2754000 1.259000 
1 1 1  -47    3   24 o   6.2940   0.4437   7.0930   0.4687   5.4940   0.7534 1.599000 0.8873000 
1 1 1  -47    3   25 o   9.8300   0.2641   9.3430   0.3956   10.320   0.3500 -0.9743000 0.5281000 
1 1 1  -47    3   26 o   4.1800   0.5944   4.0300   0.8745   4.3310   0.8054 -0.3012000 1.189000 
1 1 1  -47    3   27 o   5.6870   0.4286   5.4560   0.6000   5.9190   0.6122 -0.4635000 0.8572000 
1 1 1  -47    3   28 o   11.490   0.2900   11.400   0.3947   11.590   0.4251 -0.1857000 0.5801000 
1 1 1  -47    3   29 o   7.0780   0.3690   6.8720   0.5120   7.2830   0.5316 -0.4107000 0.7381000 
1 1 1  -47    5    1 o   9.2610   0.2385   9.4960   0.3767   9.0260   0.2928 0.4701000 0.4771000 
1 1 1  -47    5    2 o   8.9530   0.2264   8.8310   0.3645   9.0750   0.2687 -0.2447000 0.4528000 
1 1 1  -47    5    3 o   6.3760   0.3094   6.4480   0.4247   6.3040   0.4500 0.1439000 0.6188000 
1 1 1  -47    5    4 o   16.090   0.1569   15.930   0.2471   16.250   0.1936 -0.3150000 0.3139000 
1 1 1  -47    5    5 o   14.750   0.3191   15.120   0.4549   14.380   0.4476 0.7349000 0.6382000 
1 1 1  -47    5    6 f   4.8990   0.7348   4.1470   1.1870   5.6510   0.8658 -1.504000 1.470000 
1 1 1  -47    5    7 o   10.640   0.3666   10.580   0.5254   10.710   0.5114 -0.1292000 0.7332000 
1 1 1  -47    5    8 o   19.420   0.3005   19.080   0.4361   19.760   0.4134 -0.6823000 0.6009000 
1 1 1  -47    5    9 o   8.3530   0.4415   8.0390   0.6921   8.6660   0.5485 -0.6269000 0.8831000 
1 1 1  -47    5   10 o   5.9510   0.5607   6.2480   0.7953   5.6540   0.7905 0.5944000 1.121000 
1 1 1  -47    5   11 o   8.1290   0.4242   7.7440   0.6435   8.5150   0.5529 -0.7710000 0.8484000 
1 1 1  -47    5   12 o   9.4440   0.2288   9.1010   0.3943   9.7870   0.2320 -0.6864000 0.4575000 
1 1 1  -47    5   13 o   8.6510   0.2290   8.1430   0.2267   9.1590   0.3980 -1.016000 0.4580000 
1 1 1  -47    5   14 o   6.4560   0.2508   6.3070   0.3759   6.6050   0.3322 -0.2985000 0.5017000 
1 1 1  -47    5   15 o   12.490   0.1569   12.420   0.2088   12.560   0.2343 -0.1356000 0.3138000 
1 1 1  -47    5   16 o   8.7620   0.2037   8.7930   0.2741   8.7310   0.3014 0.6216000E-01 0.4074000 
1 1 1  -47    5   17 o   8.0260   0.2308   8.1880   0.3119   7.8640   0.3403 0.3244000 0.4616000 
1 1 1  -47    5   18 o   18.710   0.2058   19.150   0.2548   18.280   0.3232 0.8695000 0.4116000 
1 1 1  -47    5   19 o   6.2240   0.2975   6.0040   0.4157   6.4430   0.4256 -0.4394000 0.5949000 
1 1 1  -47    5   20 o   10.060   0.2113   10.010   0.2868   10.120   0.3104 -0.1112000 0.4226000 
1 1 1  -47    5   21 o   11.560   0.1973   11.550   0.2653   11.570   0.2919 -0.2187000E-01 0.3945000 
1 1 1  -47    5   22 o   3.7030   0.6237   4.3480   0.7301   3.0580   1.0110 1.290000 1.247000 
1 1 1  -47    5   23 o   9.1520   0.2829   8.7410   0.3452   9.5630   0.4483 -0.8223000 0.5658000 
1 1 1  -47    5   24 o   9.8860   0.2442   9.9950   0.3249   9.7780   0.3647 0.2169000 0.4884000 
1 1 1  -47    5   25 o   2.1890   0.6339   1.9470   0.8633   2.4300   0.9285 -0.4834000 1.268000 
1 1 1  -47    5   26 o   3.0510   0.6686   3.7400   0.9572   2.3610   0.9338 1.379000 1.337000 
1 1 1  -47    5   27 o   5.2780   0.5538   5.2630   0.7666   5.2920   0.7993 -0.2949000E-01 1.108000 
1 1 1  -47    5   28 o   8.8040   0.2976   8.7450   0.4031   8.8630   0.4380 -0.1185000 0.5952000 
1 1 1  -47    5   29 o   5.8550   0.4511   6.2250   0.5565   5.4850   0.7102 0.7394000 0.9022000 
1 1 1  -47    7    1 o   18.420   0.1633   18.490   0.2408   18.340   0.2207 0.1450000 0.3266000 
1 1 1  -47    7    2 o   5.4720   0.3204   5.3790   0.4663   5.5660   0.4396 -0.1868000 0.6409000 
1 1 1  -47    7    3 o   7.2020   0.2229   7.0440   0.3314   7.3610   0.2982 -0.3169000 0.4458000 
1 1 1  -47    7    4 o   10.110   0.4639  ?   ?    10.110   0.4639      ?      ? 
1 1 1  -47    7    5 o   13.780   0.1549   13.480   0.2483   14.090   0.1853 -0.6031000 0.3098000 
1 1 1  -47    7    6 o   5.7670   0.4977   6.3680   0.9501   5.1660   0.2967 1.201000 0.9953000 
1 1 1  -47    7    7 o   14.360   0.2641   14.680   0.4884   14.040   0.2014 0.6432000 0.5283000 
1 1 1  -47    7    8 o   2.5590   0.6963   2.0760   0.9081   3.0430   1.0560 -0.9673000 1.393000 
1 1 1  -47    7    9 o   6.1710   0.4657   6.6370   0.5937   5.7040   0.7177 0.9328000 0.9314000 
1 1 1  -47    7   10 o   6.9600   0.3072   6.9200   0.5611   6.9990   0.2500 -0.7870000E-01 0.6143000 
1 1 1  -47    7   11 o   13.510   0.1194   13.400   0.1699   13.620   0.1677 -0.2193000 0.2387000 
1 1 1  -47    7   12 o   20.020   0.1492   20.050   0.1892   19.980   0.2309 0.6921000E-01 0.2985000 
1 1 1  -47    7   13 o   9.0920   0.1839   8.6870   0.2952   9.4970   0.2195 -0.8105000 0.3678000 
1 1 1  -47    7   14 o   12.010   0.1493   12.430   0.2127   11.600   0.2096 0.8313000 0.2986000 
1 1 1  -47    7   15 o   3.0650   0.5326   2.8700   0.7592   3.2600   0.7471 -0.3901000 1.065000 
1 1 1  -47    7   16 o   6.7240   0.2688   6.3070   0.3820   7.1420   0.3781 -0.8345000 0.5375000 
1 1 1  -47    7   17 o   13.150   0.2317   12.980   0.2808   13.320   0.3685 -0.3433000 0.4633000 
1 1 1  -47    7   18 o   8.3260   0.2389   8.1240   0.3245   8.5270   0.3507 -0.4032000 0.4778000 
1 1 1  -47    7   19 o   2.6980   0.5951   2.1430   0.8277   3.2530   0.8553 -1.110000 1.190000 
1 1 1  -47    7   20 o   17.910   0.1868   17.960   0.2655   17.860   0.2627 0.9152000E-01 0.3735000 
1 1 1  -47    7   21 o   9.9950   0.2799   10.120   0.3599   9.8690   0.4288 0.2520000 0.5598000 
1 1 1  -47    7   22 o   6.6230   0.3327   6.4070   0.4744   6.8400   0.4666 -0.4330000 0.6654000 
1 1 1  -47    7   23 o   3.3550   0.6130   2.7760   0.9058   3.9340   0.8261 -1.158000 1.226000 
1 1 1  -47    7   24 o   9.3990   0.2621   9.5490   0.3482   9.2490   0.3917 0.2999000 0.5241000 
1 1 1  -47    7   25 o   2.0060   0.6103   1.6360   0.7779   2.3770   0.9405 -0.7413000 1.221000 
1 1 1  -47    7   26 o   8.4170   0.3456   8.8450   0.4709   7.9880   0.5060 0.8565000 0.6913000 
1 1 1  -47    7   27 o   5.5310   0.4596   4.8500   0.7141   6.2120   0.5789 -1.362000 0.9193000 
1 1 1  -47    7   28 o   5.9910   0.4634   4.8170   0.7533   7.1660   0.5398 -2.349000 0.9267000 
1 1 1  -47    9    1 o   4.9360   0.5074   5.1910   0.7470   4.6820   0.6868 0.5097000 1.015000 
1 1 1  -47    9    2 o   16.150   0.1670   16.340   0.2470   15.950   0.2248 0.3841000 0.3340000 
1 1 1  -47    9    3 f   10.810   0.1893   10.870   0.2780   10.750   0.2570 0.1260000 0.3786000 
1 1 1  -47    9    4 o   13.990   0.1625   14.000   0.2400   13.980   0.2191 0.1869000E-01 0.3250000 
1 1 1  -47    9    5 o   14.110   0.1564   14.030   0.2309   14.190   0.2109 -0.1615000 0.3127000 
1 1 1  -47    9    6 f   11.240   0.1920   11.360   0.3116   11.110   0.2243 0.2539000 0.3839000 
1 1 1  -47    9    7 f   11.210   0.3375   11.430   0.6383   10.990   0.2193 0.4405000 0.6749000 
1 1 1  -47    9    8 o   3.8150   0.6414   4.1350   0.9905   3.4960   0.8151 0.6389000 1.283000 
1 1 1  -47    9    9 o   20.760   0.2103   20.610   0.3344   20.910   0.2551 -0.2993000 0.4205000 
1 1 1  -47    9   10 o   3.6660   0.6120   3.7200   1.0800   3.6130   0.5769 0.1062000 1.224000 
1 1 1  -47    9   11 o   25.790   0.1756   25.630   0.2674   25.940   0.2276 -0.3039000 0.3511000 
1 1 1  -47    9   12 o   10.360   0.1922  10.0000   0.3038   10.720   0.2356 -0.7183000 0.3844000 
1 1 1  -47    9   13 o   10.720   0.1963   10.250   0.3138   11.190   0.2358 -0.9457000 0.3925000 
1 1 1  -47    9   14 o   17.430   0.1475   17.520   0.2093   17.330   0.2078 0.1935000 0.2949000 
1 1 1  -47    9   15 o   5.5390   0.3055   5.5310   0.4431   5.5480   0.4207 -0.1675000E-01 0.6110000 
1 1 1  -47    9   16 o   7.4670   0.3644   8.1670   0.4022   6.7680   0.6078 1.399000 0.7288000 
1 1 1  -47    9   17 o   5.2370   0.3757   5.0640   0.5011   5.4100   0.5598 -0.3463000 0.7513000 
1 1 1  -47    9   18 o   17.230   0.2035   17.260   0.2554   17.210   0.3170 0.5581000E-01 0.4070000 
1 1 1  -47    9   19 o   2.7990   0.6441   3.3690   0.8848   2.2290   0.9362 1.140000 1.288000 
1 1 1  -47    9   20 o   15.800   0.1866   15.880   0.2462   15.710   0.2805 0.1684000 0.3732000 
1 1 1  -47    9   21 o   9.5240   0.2479   9.4790   0.3317   9.5690   0.3685 -0.9078000E-01 0.4958000 
1 1 1  -47    9   22 o   10.820   0.2308   10.960   0.3080   10.680   0.3438 0.2845000 0.4616000 
1 1 1  -47    9   23 o   9.8680   0.2532   9.9380   0.3405   9.7990   0.3748 0.1388000 0.5064000 
1 1 1  -47    9   24 o   7.4750   0.3850   7.3090   0.5541   7.6400   0.5347 -0.3309000 0.7700000 
1 1 1  -47    9   25 o   2.0270   0.6547   2.4210   1.0470   1.6330   0.7859 0.7878000 1.309000 
1 1 1  -47    9   26 o   9.4340   0.2923   9.4790   0.4064   9.3890   0.4203 0.8916000E-01 0.5846000 
1 1 1  -47    9   27 o   6.1870   0.4423   5.3760   0.6901   6.9980   0.5532 -1.622000 0.8845000 
1 1 1  -47    9   28 o   2.2880   0.7233   2.2740   1.0080   2.3030   1.0370 -0.2882000E-01 1.447000 
1 1 1  -47   11    1 o   10.200   0.2474   9.9230   0.3746   10.470   0.3232 -0.5474000 0.4947000 
1 1 1  -47   11    2 f   5.2590   0.4711   4.9630   0.8015   5.5540   0.4954 -0.5910000 0.9422000 
1 1 1  -47   11    3 o   3.6460   0.6532   3.2600   1.0420   4.0320   0.7884 -0.7722000 1.306000 
1 1 1  -47   11    4 o   13.990   0.1782   14.190   0.2631   13.800   0.2403 0.3875000 0.3563000 
1 1 1  -47   11    5 o   7.6270   0.2542   7.5760   0.3806   7.6780   0.3370 -0.1015000 0.5084000 
1 1 1  -47   11    6 o   7.2180   0.2584   7.4260   0.3781   7.0090   0.3524 0.4169000 0.5168000 
1 1 1  -47   11    7 o   4.7830   0.4150   4.5170   0.6776   5.0500   0.4794 -0.5338000 0.8301000 
1 1 1  -47   11    8 o   2.1940   0.5792   2.7060   0.8989   1.6820   0.7307 1.024000 1.158000 
1 1 1  -47   11    9 o   3.8260   0.5041   4.0610   0.7616   3.5910   0.6606 0.4702000 1.008000 
1 1 1  -47   11   10 o   2.6980   0.5519   1.9450   0.8350   3.4510   0.7219 -1.506000 1.104000 
1 1 1  -47   11   11 o   6.9170   0.2935   7.1540   0.4513   6.6800   0.3753 0.4742000 0.5870000 
1 1 1  -47   11   12 o   11.970   0.1941   12.060   0.3011   11.880   0.2451 0.1787000 0.3882000 
1 1 1  -47   11   13 o   6.2590   0.3491   6.3960   0.5010   6.1230   0.4864 0.2735000 0.6983000 
1 1 1  -47   11   14 o   18.180   0.2254   18.130   0.3180   18.220   0.3196 -0.8964000E-01 0.4509000 
1 1 1  -47   11   15 o   21.640   0.2085   21.510   0.3269   21.760   0.2588 -0.2525000 0.4169000 
1 1 1  -47   11   16 o   3.0710   0.6290   2.5960   0.9609   3.5460   0.8120 -0.9499000 1.258000 
1 1 1  -47   11   17 o   10.410   0.2542   10.030   0.3761   10.780   0.3420 -0.7500000 0.5084000 
1 1 1  -47   11   18 o   14.680   0.2386   15.140   0.3749   14.210   0.2954 0.9335000 0.4773000 
1 1 1  -47   11   19 o   14.110   0.1994   13.950   0.2617   14.280   0.3010 -0.3353000 0.3989000 
1 1 1  -47   11   20 o   2.1670   0.6185   1.7530   0.7877   2.5810   0.9538 -0.8285000 1.237000 
1 1 1  -47   11   21 o   5.7200   0.4085   6.0540   0.5127   5.3850   0.6362 0.6680000 0.8170000 
1 1 1  -47   11   22 o   15.250   0.2359   15.250   0.3151   15.250   0.3512 0.4537000E-02 0.4718000 
1 1 1  -47   11   23 f   9.3910   0.3212   9.5000   0.4394   9.2830   0.4687 0.2168000 0.6424000 
1 1 1  -47   11   24 o   7.6300   0.3664   7.5710   0.5288   7.6890   0.5074 -0.1183000 0.7328000 
1 1 1  -47   11   25 o   4.0430   0.6326   4.0250   0.8636   4.0610   0.9246 -0.3640000E-01 1.265000 
1 1 1  -47   11   26 o   10.630   0.2687   10.720   0.3610   10.530   0.3980 0.1909000 0.5374000 
1 1 1  -47   11   27 o   8.3600   0.5573   9.2380   0.5121   7.4810   0.9900 1.756000 1.115000 
1 1 1  -47   13    1 o   5.0400   0.4702   4.4530   0.7741   5.6270   0.5341 -1.174000 0.9405000 
1 1 1  -47   13    2 o   5.4740   0.4069   5.4380   0.6206   5.5110   0.5265 -0.7261000E-01 0.8138000 
1 1 1  -47   13    3 o   5.0140   0.4317   4.8420   0.6628   5.1870   0.5533 -0.3454000 0.8634000 
1 1 1  -47   13    4 o   9.0920   0.2472   8.9080   0.3718   9.2760   0.3260 -0.3673000 0.4944000 
1 1 1  -47   13    5 o   3.7310   0.5531   4.5330   0.6986   2.9290   0.8578 1.605000 1.106000 
1 1 1  -47   13    6 o   1.7840   0.5602   2.0560   0.8635   1.5110   0.7139 0.5458000 1.120000 
1 1 1  -47   13    7 o   15.670   0.2216   14.990   0.2980   16.360   0.3281 -1.372000 0.4433000 
1 1 1  -47   13    8 o   12.680   0.2378   12.690   0.3225   12.670   0.3496 0.1837000E-01 0.4756000 
1 1 1  -47   13    9 o   13.330   0.2361   13.630   0.3155   13.030   0.3512 0.5996000 0.4721000 
1 1 1  -47   13   10 o   9.2390   0.2500   9.2300   0.3890   9.2480   0.3141 -0.1814000E-01 0.5000000 
1 1 1  -47   13   11 o   12.360   0.2082   12.480   0.3221   12.240   0.2638 0.2411000 0.4163000 
1 1 1  -47   13   12 o   2.6610   0.6280   3.3250   0.9458   1.9970   0.8265 1.328000 1.256000 
1 1 1  -47   13   13 o   9.4420   0.2533   9.2430   0.3993   9.6420   0.3119 -0.3993000 0.5066000 
1 1 1  -47   13   14 o   20.950   0.1864   20.820   0.2876   21.080   0.2371 -0.2565000 0.3728000 
1 1 1  -47   13   15 f   15.440   0.1972   15.440   0.3075   15.440   0.2471 0.3826000E-02 0.3944000 
1 1 1  -47   13   16 o   17.210   0.1923   17.290   0.2970   17.120   0.2444 0.1663000 0.3847000 
1 1 1  -47   13   17 o   6.1880   0.3884   5.6710   0.6417   6.7060   0.4376 -1.036000 0.7767000 
1 1 1  -47   13   18 o   5.5260   0.4352   5.3620   0.7021   5.6900   0.5145 -0.3280000 0.8704000 
1 1 1  -47   13   19 o   3.5020   0.7641   3.4170   1.1460   3.5880   1.0100 -0.1701000 1.528000 
1 1 1  -47   13   20 o   7.3370   0.4610   6.7000   0.7488   7.9750   0.5379 -1.276000 0.9220000 
1 1 1  -47   13   21 o   4.5810   0.6079   3.6180   1.0090   5.5440   0.6782 -1.926000 1.216000 
1 1 1  -47   13   22 o   2.6610   0.7389   2.6390   1.0870   2.6840   1.0020 -0.4442000E-01 1.478000 
1 1 1  -47   13   23 o   6.4140   0.4322   6.8350   0.5992   5.9920   0.6229 0.8426000 0.8643000 
1 1 1  -47   13   24 o   17.580   0.2118   17.660   0.2805   17.510   0.3174 0.1570000 0.4235000 
1 1 1  -47   13   25 o   9.3910   0.3048   9.2510   0.4167   9.5320   0.4450 -0.2802000 0.6096000 
1 1 1  -47   15    1 o   6.1250   0.3917   6.4130   0.5696   5.8360   0.5378 0.5766000 0.7834000 
1 1 1  -47   15    2 o   2.4440   0.6483   2.1610   0.9129   2.7270   0.9207 -0.5661000 1.297000 
1 1 1  -47   15    3 o   9.4050   0.2644   9.2290   0.3987   9.5810   0.3475 -0.3521000 0.5289000 
1 1 1  -47   15    4 o   10.260   0.2444   10.200   0.3674   10.310   0.3225 -0.1131000 0.4889000 
1 1 1  -47   15    5 o   3.2510   0.6161   2.5930   0.9601   3.9090   0.7723 -1.316000 1.232000 
1 1 1  -47   15    6 o   12.110   0.2034   12.180   0.2898   12.030   0.2855 0.1522000 0.4068000 
1 1 1  -47   15    7 o   8.6030   0.2868   8.6890   0.4444   8.5160   0.3628 0.1725000 0.5737000 
1 1 1  -47   15    8 o   6.4880   0.3709   6.6760   0.5722   6.3010   0.4721 0.3755000 0.7418000 
1 1 1  -47   15    9 o   8.0690   0.3036   7.7960   0.4831   8.3420   0.3677 -0.5456000 0.6071000 
1 1 1  -47   15   10 o   2.6760   0.6198   3.5540   0.9521   1.7980   0.7938 1.756000 1.240000 
1 1 1  -47   15   11 f   2.3010   0.6474   2.4610   0.9705   2.1410   0.8570 0.3200000 1.295000 
1 1 1  -47   15   12 o   9.1860   0.2806   9.0490   0.4436   9.3220   0.3439 -0.2727000 0.5613000 
1 1 1  -47   15   13 o   2.0710   0.6241   2.0270   0.8947   2.1160   0.8704 -0.8889000E-01 1.248000 
1 1 1  -47   15   14 o   3.5740   0.6490   3.9700   0.9200   3.1780   0.9156 0.7926000 1.298000 
1 1 1  -47   15   15 o   9.6250   0.3183   9.4740   0.5216   9.7760   0.3647 -0.3030000 0.6365000 
1 1 1  -47   15   16 o   3.8330   0.7071   4.3030   1.0700   3.3620   0.9242 0.9413000 1.414000 
1 1 1  -47   15   17 o   5.8040   0.5115   5.7280   0.8464   5.8810   0.5744 -0.1528000 1.023000 
1 1 1  -47   15   18 o   1.9880   0.6108   2.4240   0.9786   1.5520   0.7311 0.8719000 1.222000 
1 1 1  -47   15   19 f   5.1070   0.5353   4.4740   0.9082   5.7410   0.5669 -1.266000 1.071000 
1 1 1  -47   15   20 o   11.350   0.2850   10.820   0.4289   11.880   0.3754 -1.065000 0.5700000 
1 1 1  -47   15   21 o   8.7030   0.3858   8.4560   0.6228   8.9490   0.4555 -0.4930000 0.7716000 
1 1 1  -47   15   22 o   9.9890   0.3138   9.8240   0.4541   10.150   0.4332 -0.3303000 0.6276000 
1 1 1  -47   15   23 o   3.3180   0.7496   3.3620   1.0650   3.2740   1.0550 0.8845000E-01 1.499000 
1 1 1  -47   15   24 o   9.6010   0.3338   9.2820   0.4933   9.9210   0.4499 -0.6394000 0.6677000 
1 1 1  -47   17    1 o   1.5980   0.5403   1.7460   0.8165   1.4510   0.7077 0.2948000 1.081000 
1 1 1  -47   17    2 o   2.1570   0.6494   2.2190   0.9394   2.0940   0.8968 0.1251000 1.299000 
1 1 1  -47   17    3 o   4.9170   0.5323   5.7490   0.6518   4.0850   0.8416 1.663000 1.065000 
1 1 1  -47   17    4 f   8.2200   0.3088   8.1330   0.4614   8.3060   0.4104 -0.1728000 0.6175000 
1 1 1  -47   17    5 o   6.1060   0.4080   6.0110   0.6029   6.2020   0.5498 -0.1912000 0.8160000 
1 1 1  -47   17    6 o   7.7600   0.3275   7.6200   0.4828   7.9000   0.4426 -0.2798000 0.6550000 
1 1 1  -47   17    7 o   12.110   0.2383   12.130   0.3454   12.080   0.3285 0.4900000E-01 0.4766000 
1 1 1  -47   17    8 o   11.030   0.2996   10.960   0.4916   11.090   0.3426 -0.1318000 0.5992000 
1 1 1  -47   17    9 o   4.7310   0.6022   5.4500   0.8581   4.0130   0.8452 1.437000 1.204000 
1 1 1  -47   17   10 o   4.5660   0.5562   4.4890   0.8765   4.6420   0.6849 -0.1528000 1.112000 
1 1 1  -47   17   11 o   8.5110   0.3101   8.0960   0.4973   8.9270   0.3705 -0.8304000 0.6201000 
1 1 1  -47   17   12 o   2.9450   0.6952   2.9630   1.0370   2.9280   0.9267 0.3492000E-01 1.390000 
1 1 1  -47   17   13 o   11.120   0.2557   10.860   0.3996   11.370   0.3190 -0.5049000 0.5113000 
1 1 1  -47   17   14 o   8.6890   0.3141   8.4830   0.4844   8.8950   0.4001 -0.4117000 0.6283000 
1 1 1  -47   17   15 o   9.2600   0.3033   9.3540   0.4619   9.1670   0.3932 0.1876000 0.6066000 
1 1 1  -47   17   16 o   4.2020   0.6277   3.8990   1.0130   4.5040   0.7413 -0.6050000 1.255000 
1 1 1  -47   17   17 o   6.4550   0.4666   7.0420   0.5928   5.8670   0.7208 1.175000 0.9332000 
1 1 1  -47   17   18 o   4.0480   0.7609   3.8630   1.1810   4.2320   0.9595 -0.3690000 1.522000 
1 1 1  -47   17   19 o   7.2840   0.4239   8.1170   0.6525   6.4510   0.5412 1.666000 0.8477000 
1 1 1  -47   17   20 o   2.1180   0.6326   1.7170   0.8232   2.5180   0.9609 -0.8010000 1.265000 
1 1 1  -47   17   21 o   8.8940   0.3375   8.3880   0.5413   9.4010   0.4031 -1.014000 0.6750000 
1 1 1  -47   17   22 o   3.5450   0.7188   4.2950   0.9744   2.7960   1.0570 1.499000 1.438000 
1 1 1  -47   19    1 o   4.6400   0.6050   4.7820   0.8794   4.4980   0.8312 0.2838000 1.210000 
1 1 1  -47   19    2 o   4.3710   0.6287   2.6380   1.1070   6.1030   0.5972 -3.464000 1.257000 
1 1 1  -47   19    3 o   4.5620   0.7203   5.3710   0.9485   3.7520   1.0840 1.619000 1.441000 
1 1 1  -47   19    4 o   2.2140   0.6982   2.4840   1.0670   1.9440   0.9010 0.5395000 1.396000 
1 1 1  -47   19    5 o   4.4180   0.7224   3.7660   1.1470   5.0700   0.8785 -1.304000 1.445000 
1 1 1  -47   19    6 o   9.1470   0.3209   9.1330   0.4075   9.1620   0.4957 -0.2819000E-01 0.6417000 
1 1 1  -47   19    7 o   2.9110   0.6866   2.5790   0.9668   3.2440   0.9752 -0.6648000 1.373000 
1 1 1  -47   19    8 f   2.3550   0.6686   1.9970   0.9140   2.7130   0.9760 -0.7155000 1.337000 
1 1 1  -47   19    9 o   2.1060   0.6276   1.6620   0.8026   2.5510   0.9651 -0.8893000 1.255000 
1 1 1  -47   19   10 o   4.7270   0.5884   4.4220   0.9491   5.0330   0.6956 -0.6114000 1.177000 
1 1 1  -47   19   11 o   5.6000   0.5757   4.5290   0.9452   6.6700   0.6574 -2.141000 1.151000 
1 1 1  -47   19   12 o   6.6870   0.5724   6.2430   0.9643   7.1300   0.6169 -0.8877000 1.145000 
1 1 1  -47   19   13 o   2.6620   0.7620   2.4420   1.0900   2.8820   1.0650 -0.4393000 1.524000 
1 1 1  -47   19   14 o   5.6170   0.6216   5.7460   0.9720   5.4890   0.7750 0.2575000 1.243000 
1 1 1  -47   19   15 o   3.9590   0.6344   2.4390   1.0860   5.4800   0.6568 -3.041000 1.269000 
1 1 1  -47   19   16 o   3.4170   0.6658   2.5250   1.0290   4.3080   0.8456 -1.782000 1.332000 
1 1 1  -47   19   17 o   2.2000   0.6660   2.4810   1.0150   1.9190   0.8623 0.5627000 1.332000 
1 1 1  -47   19   18 o   4.2800   0.6440   5.1080   0.8450   3.4510   0.9721 1.657000 1.288000 
1 1 1  -47   19   19 f   3.7000   0.6588   2.7140   1.0540   4.6870   0.7912 -1.973000 1.318000 
1 1 1  -47   19   20 o   2.1600   1.0660   2.1600   1.0660  ?   ?       ?      ? 
1 1 1  -47   21    1 o   1.9210   0.6316   1.8640   0.8941   1.9790   0.8923 -0.1147000 1.263000 
1 1 1  -47   21    2 o   2.2240   0.6769   2.0880   0.9409   2.3590   0.9735 -0.2710000 1.354000 
1 1 1  -47   21    3 o   3.8590   0.7152   4.2020   1.0230   3.5170   0.9994 0.6846000 1.430000 
1 1 1  -47   21    4 o   3.1040   0.7189   2.6140   1.0460   3.5950   0.9862 -0.9814000 1.438000 
1 1 1  -47   21    5 o   1.9230   0.6226   1.9230   0.8909   1.9220   0.8699 0.1519000E-02 1.245000 
1 1 1  -47   21    6 o   9.5230   0.3080   9.7560   0.4264   9.2910   0.4445 0.4643000 0.6160000 
1 1 1  -47   21    7 o   8.9110   0.3234   8.8830   0.4673   8.9400   0.4473 -0.5757000E-01 0.6469000 
1 1 1  -47   21    8 o   5.5090   0.5266   5.5070   0.8077   5.5100   0.6760 -0.3214000E-02 1.053000 
1 1 1  -47   21    9 o   7.7850   0.3899   7.3270   0.6294   8.2420   0.4602 -0.9147000 0.7797000 
1 1 1  -47   21   10 o   6.9660   0.4158   7.2230   0.6282   6.7080   0.5449 0.5151000 0.8316000 
1 1 1  -47   21   11 o   2.2070   0.6692   2.6120   1.0480   1.8030   0.8330 0.8086000 1.338000 
1 1 1  -47   21   12 o   2.7820   0.6962   2.2010   0.9801   3.3630   0.9890 -1.162000 1.392000 
1 1 1  -47   21   13 o   2.4950   0.6635   1.8190   0.8707   3.1720   1.0010 -1.353000 1.327000 
1 1 1  -47   21   14 o   2.6100   0.7261   2.6160   1.0650   2.6030   0.9876 0.1308000E-01 1.452000 
1 1 1  -47   21   15 o   1.9350   0.6261   2.2190   0.9783   1.6520   0.7817 0.5671000 1.252000 
1 1 1  -47   21   16 o   5.8260   0.5257   5.0590   0.8836   6.5940   0.5698 -1.535000 1.051000 
1 1 1  -47   23    1 o   2.2010   0.7070   2.5440   1.1060   1.8590   0.8804 0.6847000 1.414000 
1 1 1  -47   23    2 o   2.1660   0.7152   1.8000   0.8986   2.5310   1.1130 -0.7311000 1.430000 
1 1 1  -47   23    3 o   2.8060   0.8508   3.3950   1.3550   2.2180   1.0290 1.177000 1.702000 
1 1 1  -47   23    4 o   4.1580   0.9412   5.0730   1.4200   3.2420   1.2350 1.831000 1.882000 
1 1 1  -47   23    5 o   3.7840   0.9523   3.9570   1.4260   3.6110   1.2630 0.3460000 1.905000 
1 1 1  -47   23    6 o   2.9640   0.7835   3.0720   1.1190   2.8570   1.0970 0.2154000 1.567000 
1 1 1  -47   23    7 o   3.8220   0.6579   2.4710   1.0520   5.1730   0.7906 -2.702000 1.316000 
1 1 1  -47   23    8 f   2.2130   0.7053   2.6020   1.1110   1.8240   0.8698 0.7783000 1.411000 
1 1 1  -47   23    9 o   7.8660   0.4648   7.7340   0.7230   7.9990   0.5843 -0.2650000 0.9296000 
1 1 1  -47   23   10 o   2.0770   0.6805   2.2200   1.0190   1.9350   0.9020 0.2847000 1.361000 
1 1 1  -47   23   11 o   1.8090   0.6183   1.8280   0.8920   1.7900   0.8565 0.3822000E-01 1.237000 
1 1 1  -46    0    1 o   31.940   0.2887   31.940   0.2887   31.940   0.2887 -0.000000 0.000000 
1 1 1  -46    0    2 o   6.3880   0.3817   6.3880   0.3817   6.3880   0.3817 -0.000000 0.000000 
1 1 1  -46    0    3 o   0.9843   0.6604   0.9843   0.6604   0.9843   0.6604 -0.000000 0.000000 
1 1 1  -46    0    4 o   14.410   0.2212   14.410   0.2212   14.410   0.2212 -0.000000 0.000000 
1 1 1  -46    0    5 o   6.9160   0.2417   6.9160   0.2417   6.9160   0.2417 -0.000000 0.000000 
1 1 1  -46    0    6 o   4.7650   0.2815   4.7650   0.2815   4.7650   0.2815 -0.000000 0.000000 
1 1 1  -46    0    7 o   0.8762   0.6113   0.8762   0.6113   0.8762   0.6113 -0.000000 0.000000 
1 1 1  -46    0    8 o   1.2040   0.7448   1.2040   0.7448   1.2040   0.7448 -0.000000 0.000000 
1 1 1  -46    0    9 o   5.5000   0.2857   5.5000   0.2857   5.5000   0.2857 -0.000000 0.000000 
1 1 1  -46    0   10 o   19.840   0.1619   19.840   0.1619   19.840   0.1619 -0.000000 0.000000 
1 1 1  -46    0   11 o   9.2970   0.1972   9.2970   0.1972   9.2970   0.1972 -0.000000 0.000000 
1 1 1  -46    0   12 o   7.0130   0.3386   7.0130   0.3386   7.0130   0.3386 -0.000000 0.000000 
1 1 1  -46    0   13 f   13.840   0.1710   13.840   0.1710   13.840   0.1710 -0.000000 0.000000 
1 1 1  -46    0   14 o   1.3990   0.7974   1.3990   0.7974   1.3990   0.7974 -0.000000 0.000000 
1 1 1  -46    0   15 o   11.560   0.1986   11.560   0.1986   11.560   0.1986 -0.000000 0.000000 
1 1 1  -46    0   16 o   23.770   0.2077   23.770   0.2077   23.770   0.2077 -0.000000 0.000000 
1 1 1  -46    0   17 o   1.0710   0.7435   1.0710   0.7435   1.0710   0.7435 -0.000000 0.000000 
1 1 1  -46    0   18 o   8.5660   0.2685   8.5660   0.2685   8.5660   0.2685 -0.000000 0.000000 
1 1 1  -46    0   19 o   8.8560   0.2785   8.8560   0.2785   8.8560   0.2785 -0.000000 0.000000 
1 1 1  -46    0   20 o   1.5980   0.9071   1.5980   0.9071   1.5980   0.9071 -0.000000 0.000000 
1 1 1  -46    0   21 o   4.7530   0.5258   4.7530   0.5258   4.7530   0.5258 -0.000000 0.000000 
1 1 1  -46    0   22 o   7.2280   0.3608   7.2280   0.3608   7.2280   0.3608 -0.000000 0.000000 
1 1 1  -46    0   23 o   1.2420   0.8169   1.2420   0.8169   1.2420   0.8169 -0.000000 0.000000 
1 1 1  -46    0   24 o   6.0330   0.4729   6.0330   0.4729   6.0330   0.4729 -0.000000 0.000000 
1 1 1  -46    0   25 o   4.0690   1.1420   4.0690   1.1420   4.0690   1.1420 -0.000000 0.000000 
1 1 1  -46    0   26 o   19.650   0.2497   19.650   0.2497   19.650   0.2497 -0.000000 0.000000 
1 1 1  -46    0   27 o   4.4940   0.7688   4.4940   0.7688   4.4940   0.7688 -0.000000 0.000000 
1 1 1  -46    0   28 o   1.5160   0.9866   1.5160   0.9866   1.5160   0.9866 -0.000000 0.000000 
1 1 1  -46    0   29 o   2.5430   1.4680   2.5430   1.4680   2.5430   1.4680 -0.000000 0.000000 
1 1 1  -46    0   30 o   9.5230   0.4514   9.5230   0.4514   9.5230   0.4514 -0.000000 0.000000 
1 1 1  -46    2    1 o   4.4150   0.4868   4.3410   0.7335   4.4890   0.6403 -0.1485000 0.9737000 
1 1 1  -46    2    2 o   13.580   0.1703   13.590   0.2695   13.570   0.2083 0.1597000E-01 0.3406000 
1 1 1  -46    2    3 o   10.080   0.1863   9.7600   0.2831   10.390   0.2422 -0.6324000 0.3726000 
1 1 1  -46    2    4 o   26.920   0.1612   26.940   0.2425   26.890   0.2125 0.4818000E-01 0.3224000 
1 1 1  -46    2    5 o   9.1060   0.2996   9.1370   0.4941   9.0760   0.3390 0.6133000E-01 0.5992000 
1 1 1  -46    2    6 o   8.4880   0.2987   8.9200   0.4671   8.0570   0.3725 0.8631000 0.5974000 
1 1 1  -46    2    7 o   13.840   0.2300   14.130   0.3796   13.540   0.2598 0.5912000 0.4600000 
1 1 1  -46    2    8 o   17.780   0.2567   18.210   0.3527   17.340   0.3730 0.8700000 0.5134000 
1 1 1  -46    2    9 o   11.370   0.2270   11.410   0.3665   11.320   0.2679 0.8670000E-01 0.4540000 
1 1 1  -46    2   10 o   2.8210   0.5725   3.2210   0.7704   2.4200   0.8470 0.8012000 1.145000 
1 1 1  -46    2   11 o   5.7230   0.3298   5.8760   0.4515   5.5690   0.4810 0.3077000 0.6597000 
1 1 1  -46    2   12 o   18.710   0.1317   18.640   0.1705   18.780   0.2006 -0.1375000 0.2633000 
1 1 1  -46    2   13 o   16.040   0.1428   16.110   0.2038   15.960   0.2002 0.1470000 0.2857000 
1 1 1  -46    2   14 o   33.400   0.1953   33.230   0.2540   33.560   0.2968 -0.3344000 0.3906000 
1 1 1  -46    2   15 o   11.280   0.1801   11.470   0.2374   11.090   0.2710 0.3800000 0.3603000 
1 1 1  -46    2   16 o   12.910   0.1666   13.110   0.2012   12.720   0.2656 0.3857000 0.3332000 
1 1 1  -46    2   17 o   14.780   0.1885   14.850   0.2338   14.710   0.2957 0.1357000 0.3769000 
1 1 1  -46    2   18 o   11.950   0.1697   11.820   0.2238   12.080   0.2553 -0.2521000 0.3395000 
1 1 1  -46    2   19 o   13.760   0.1676   13.490   0.2209   14.020   0.2521 -0.5358000 0.3352000 
1 1 1  -46    2   20 o   11.850   0.1884   12.060   0.2412   11.640   0.2895 0.4203000 0.3768000 
1 1 1  -46    2   21 o   13.230   0.1820   13.200   0.2377   13.250   0.2756 -0.4441000E-01 0.3640000 
1 1 1  -46    2   22 o   10.550   0.2087   10.290   0.2817   10.820   0.3079 -0.5234000 0.4173000 
1 1 1  -46    2   23 o   11.370   0.2069   11.640   0.2724   11.100   0.3115 0.5363000 0.4139000 
1 1 1  -46    2   24 o   10.640   0.2732   11.130   0.3303   10.140   0.4352 0.9875000 0.5463000 
1 1 1  -46    2   25 o   2.2280   0.6323   1.9190   0.8561   2.5370   0.9307 -0.6177000 1.265000 
1 1 1  -46    2   26 o   16.460   0.1936   16.560   0.2562   16.360   0.2904 0.1913000 0.3873000 
1 1 1  -46    2   27 o   2.0020   0.6120   1.7170   0.7875   2.2870   0.9371 -0.5707000 1.224000 
1 1 1  -46    2   28 o   7.6710   0.3653   7.7730   0.5312   7.5690   0.5016 0.2037000 0.7306000 
1 1 1  -46    2   29 o   5.8680   0.6784   6.9210   0.5633   4.8150   1.2340 2.106000 1.357000 
1 1 1  -46    2   30 o   7.0860   0.3879   6.7590   0.5466   7.4140   0.5506 -0.6551000 0.7759000 
1 1 1  -46    4    1 o   26.270   0.1968   26.120   0.3202   26.420   0.2288 -0.2961000 0.3935000 
1 1 1  -46    4    2 o   4.4310   0.4436   4.1460   0.7193   4.7170   0.5192 -0.5709000 0.8871000 
1 1 1  -46    4    3 o   3.8880   0.4907   3.9620   0.6536   3.8130   0.7321 0.1488000 0.9814000 
1 1 1  -46    4    4 o   1.7700   0.4842   1.7440   0.6904   1.7960   0.6790 -0.5249000E-01 0.9684000 
1 1 1  -46    4    5 f   8.4160   0.3929   8.0370   0.6481   8.7950   0.4443 -0.7578000 0.7858000 
1 1 1  -46    4    6 f   5.6410   0.5396   6.6280   0.7501   4.6540   0.7759 1.974000 1.079000 
1 1 1  -46    4    7 o   14.000   0.2601   14.000   0.4150   14.000   0.3138 0.5141000E-02 0.5203000 
1 1 1  -46    4    8 o   8.0090   0.3955   8.6360   0.6379   7.3830   0.4678 1.253000 0.7910000 
1 1 1  -46    4    9 o   4.0470   0.5658   5.0940   0.6152   3.0000   0.9497 2.094000 1.132000 
1 1 1  -46    4   10 o   12.610   0.2165   12.600   0.3010   12.620   0.3112 -0.2482000E-01 0.4330000 
1 1 1  -46    4   11 o   9.9840   0.2442   9.7660   0.3420   10.200   0.3486 -0.4365000 0.4884000 
1 1 1  -46    4   12 o   12.590   0.2349   12.840   0.2252   12.350   0.4124 0.4896000 0.4699000 
1 1 1  -46    4   13 o   21.300   0.1690   21.290   0.2154   21.320   0.2604 -0.3527000E-01 0.3379000 
1 1 1  -46    4   14 o   8.7710   0.1946   8.7780   0.2851   8.7640   0.2650 0.1347000E-01 0.3892000 
1 1 1  -46    4   15 o   16.330   0.1479   16.640   0.1984   16.020   0.2193 0.6267000 0.2957000 
1 1 1  -46    4   16 o   15.840   0.1511   15.970   0.2015   15.700   0.2252 0.2687000 0.3021000 
1 1 1  -46    4   17 o   8.1870   0.2237   8.5650   0.2841   7.8080   0.3457 0.7565000 0.4475000 
1 1 1  -46    4   18 o   10.160   0.2476   9.7590   0.3131   10.560   0.3837 -0.8031000 0.4952000 
1 1 1  -46    4   19 o   18.170   0.1641   18.370   0.2160   17.980   0.2472 0.3863000 0.3283000 
1 1 1  -46    4   20 o   6.3450   0.3088   6.4070   0.4079   6.2830   0.4637 0.1242000 0.6176000 
1 1 1  -46    4   21 o   9.1930   0.2325   9.3680   0.3034   9.0180   0.3524 0.3501000 0.4650000 
1 1 1  -46    4   22 o   17.380   0.1758   17.560   0.2336   17.200   0.2628 0.3578000 0.3516000 
1 1 1  -46    4   23 o   5.8810   0.4347   5.9800   0.5461   5.7810   0.6765 0.1992000 0.8694000 
1 1 1  -46    4   24 o   14.220   0.1945   14.190   0.2627   14.240   0.2870 -0.5509000E-01 0.3890000 
1 1 1  -46    4   25 o   11.320   0.2418   11.690   0.3360   10.950   0.3479 0.7389000 0.4836000 
1 1 1  -46    4   26 o   8.2410   0.2941   8.2390   0.3909   8.2440   0.4396 -0.4772000E-02 0.5883000 
1 1 1  -46    4   27 o   6.4610   0.3892   6.5000   0.5167   6.4220   0.5821 0.7744000E-01 0.7784000 
1 1 1  -46    4   28 o   12.740   0.2715   12.780   0.3696   12.700   0.3978 0.7607000E-01 0.5430000 
1 1 1  -46    4   29 o   4.9720   0.6059   5.2900   0.6468   4.6540   1.0250 0.6360000 1.212000 
1 1 1  -46    6    1 o   16.660   0.1612   16.450   0.2371   16.870   0.2185 -0.4197000 0.3225000 
1 1 1  -46    6    2 o   6.9740   0.2490   7.1470   0.3450   6.8020   0.3591 0.3445000 0.4979000 
1 1 1  -46    6    3 o   16.660   0.1883   16.740   0.2796   16.590   0.2524 0.1494000 0.3767000 
1 1 1  -46    6    4 o   22.150   0.1749   22.480   0.2869   21.810   0.2001 0.6686000 0.3498000 
1 1 1  -46    6    5 o   8.1540   0.3560   8.5450   0.6791   7.7630   0.2140 0.7823000 0.7120000 
1 1 1  -46    6    6 o   4.7210   0.7154   4.1440   1.2120   5.2990   0.7603 -1.155000 1.431000 
1 1 1  -46    6    7 o   28.560   0.3012   28.820   0.4913   28.300   0.3487 0.5196000 0.6024000 
1 1 1  -46    6    8 o   16.780   0.3196  ?   ?    16.780   0.3196      ?      ? 
1 1 1  -46    6    9 f   11.620   0.2573   11.530   0.3617   11.710   0.3660 -0.1767000 0.5145000 
1 1 1  -46    6   10 o   3.6850   0.6604   3.1850   0.9802   4.1850   0.8854 -1.000000 1.321000 
1 1 1  -46    6   11 o   14.480   0.1856   14.610   0.3101   14.340   0.2039 0.2740000 0.3711000 
1 1 1  -46    6   12 o   9.2970   0.1428   9.0610   0.2103   9.5340   0.1933 -0.4728000 0.2857000 
1 1 1  -46    6   13 o   16.750   0.1569   16.640   0.2231   16.850   0.2207 -0.2122000 0.3138000 
1 1 1  -46    6   14 o   25.890   0.1698   26.050   0.2220   25.740   0.2571 0.3090000 0.3396000 
1 1 1  -46    6   15 o   5.6330   0.2993   4.9610   0.4557   6.3040   0.3880 -1.343000 0.5986000 
1 1 1  -46    6   16 o   3.8720   0.4511   3.9740   0.5977   3.7700   0.6757 0.2043000 0.9021000 
1 1 1  -46    6   17 o   4.0190   0.5870   4.1050   0.7112   3.9340   0.9340 0.1710000 1.174000 
1 1 1  -46    6   18 o   5.3380   0.3517   5.0230   0.5023   5.6530   0.4925 -0.6300000 0.7035000 
1 1 1  -46    6   19 o   12.880   0.1875   13.080   0.2468   12.680   0.2823 0.4044000 0.3749000 
1 1 1  -46    6   20 o   5.2420   0.3921   4.6400   0.5895   5.8430   0.5172 -1.203000 0.7842000 
1 1 1  -46    6   21 o   5.4750   0.4441   5.0530   0.6213   5.8970   0.6348 -0.8442000 0.8882000 
1 1 1  -46    6   22 o   3.1640   0.9235   3.1640   0.9235  ?   ?       ?      ? 
1 1 1  -46    6   23 o   2.6920   0.6283   3.0330   0.8746   2.3500   0.9024 0.6829000 1.257000 
1 1 1  -46    6   24 o   5.0170   0.4454   5.1710   0.5799   4.8630   0.6761 0.3081000 0.8907000 
1 1 1  -46    6   25 o   5.9510   0.4384   4.9800   0.7253   6.9220   0.4926 -1.942000 0.8768000 
1 1 1  -46    6   26 o   14.470   0.2116   14.390   0.2850   14.550   0.3128 -0.1659000 0.4232000 
1 1 1  -46    6   27 o   10.580   0.2970   10.170   0.4254   10.990   0.4147 -0.8196000 0.5941000 
1 1 1  -46    6   28 o   9.5900   0.2826   9.2400   0.3907   9.9390   0.4085 -0.6994000 0.5652000 
1 1 1  -46    6   29 o   2.3910   0.7085   2.5700   1.0110   2.2120   0.9929 0.3578000 1.417000 
1 1 1  -46    8    1 o   10.800   0.2031   10.700   0.2987   10.890   0.2753 -0.1928000 0.4062000 
1 1 1  -46    8    2 o   9.0900   0.2151   8.9660   0.3240   9.2140   0.2829 -0.2474000 0.4301000 
1 1 1  -46    8    3 o   4.1070   0.4363   3.6090   0.7112   4.6040   0.5055 -0.9951000 0.8725000 
1 1 1  -46    8    4 o   15.960   0.1515   15.990   0.2227   15.930   0.2055 0.5945000E-01 0.3030000 
1 1 1  -46    8    5 o   16.610   0.1913   16.790   0.2835   16.440   0.2570 0.3445000 0.3826000 
1 1 1  -46    8    6 o   3.2170   0.7794   3.3580   1.3050   3.0750   0.8517 0.2829000 1.559000 
1 1 1  -46    8    7 o   14.800   0.1683   14.820   0.2289   14.780   0.2469 0.3329000E-01 0.3367000 
1 1 1  -46    8    8 o   9.0220   0.1731   9.2440   0.2611   8.8000   0.2273 0.4437000 0.3462000 
1 1 1  -46    8    9 f   11.840   0.1514   11.990   0.2381   11.690   0.1870 0.3000000 0.3027000 
1 1 1  -46    8   10 o   22.460   0.1746   22.440   0.2453   22.470   0.2485 -0.2772000E-01 0.3492000 
1 1 1  -46    8   11 o   12.200   0.2294   12.020   0.3841   12.370   0.2511 -0.3482000 0.4588000 
1 1 1  -46    8   12 o   9.9200   0.1646   9.6490   0.2387   10.190   0.2266 -0.5437000 0.3291000 
1 1 1  -46    8   13 o   4.9230   0.3127   5.0740   0.4359   4.7720   0.4485 0.3018000 0.6254000 
1 1 1  -46    8   14 o   6.0230   0.2683   6.0010   0.3885   6.0450   0.3700 -0.4397000E-01 0.5365000 
1 1 1  -46    8   15 o   9.6300   0.2075   10.190   0.2598   9.0660   0.3237 1.129000 0.4150000 
1 1 1  -46    8   16 o   4.3700   0.5694   4.3260   0.7103   4.4140   0.8903 -0.8844000E-01 1.139000 
1 1 1  -46    8   17 o   12.290   0.2419   12.350   0.2968   12.220   0.3820 0.1289000 0.4838000 
1 1 1  -46    8   18 o   5.8590   0.3340   5.5640   0.4630   6.1540   0.4817 -0.5900000 0.6681000 
1 1 1  -46    8   19 o   13.810   0.2159   13.580   0.2763   14.040   0.3319 -0.4623000 0.4319000 
1 1 1  -46    8   20 o   4.6470   0.5575   5.3660   0.5825   3.9280   0.9506 1.438000 1.115000 
1 1 1  -46    8   21 o   11.460   0.2200   11.710   0.2928   11.210   0.3285 0.4942000 0.4401000 
1 1 1  -46    8   22 o   8.4500   0.2764   8.3490   0.3887   8.5500   0.3929 -0.2004000 0.5527000 
1 1 1  -46    8   23 o   5.2510   0.4529   4.9020   0.6722   5.6010   0.6072 -0.6992000 0.9058000 
1 1 1  -46    8   24 o   13.350   0.2147   13.030   0.2969   13.680   0.3103 -0.6477000 0.4294000 
1 1 1  -46    8   25 o   5.9000   0.5415   6.7780   0.7208   5.0210   0.8083 1.756000 1.083000 
1 1 1  -46    8   26 o   2.2630   0.6148   2.9130   0.9586   1.6130   0.7700 1.300000 1.230000 
1 1 1  -46    8   27 f   8.3900   0.3126   8.7680   0.4110   8.0130   0.4712 0.7548000 0.6252000 
1 1 1  -46    8   28 o   1.8780   0.6045   1.8540   0.8424   1.9020   0.8671 -0.4872000E-01 1.209000 
1 1 1  -46   10    1 o   7.4220   0.3689   6.9400   0.6009   7.9030   0.4281 -0.9633000 0.7378000 
1 1 1  -46   10    2 o   14.770   0.2220   14.600   0.3444   14.940   0.2802 -0.3365000 0.4440000 
1 1 1  -46   10    3 o   3.3250   0.5591   3.6820   0.7756   2.9690   0.8054 0.7128000 1.118000 
1 1 1  -46   10    4 o   12.610   0.1793   12.690   0.2663   12.540   0.2401 0.1427000 0.3586000 
1 1 1  -46   10    5 o   8.1630   0.2320   8.0310   0.3503   8.2940   0.3042 -0.2626000 0.4640000 
1 1 1  -46   10    6 o   7.6980   0.2942   7.0280   0.5091   8.3680   0.2949 -1.340000 0.5884000 
1 1 1  -46   10    7 o   2.5140   0.5946   2.4800   0.8887   2.5470   0.7902 -0.6762000E-01 1.189000 
1 1 1  -46   10    8 o   7.1490   0.2588   7.1620   0.4003   7.1360   0.3282 0.2672000E-01 0.5177000 
1 1 1  -46   10    9 o   14.630   0.1694   14.780   0.2615   14.480   0.2156 0.2958000 0.3389000 
1 1 1  -46   10   10 o   6.7170   0.2871   6.4880   0.4573   6.9460   0.3473 -0.4586000 0.5742000 
1 1 1  -46   10   11 o   22.230   0.1705   22.210   0.2623   22.240   0.2181 -0.2853000E-01 0.3411000 
1 1 1  -46   10   12 o   17.110   0.1669   17.210   0.2569   17.010   0.2129 0.2090000 0.3337000 
1 1 1  -46   10   13 o   5.6330   0.3451   5.8180   0.5279   5.4480   0.4446 0.3696000 0.6902000 
1 1 1  -46   10   14 o   19.050   0.1712   19.090   0.2620   19.020   0.2204 0.6598000E-01 0.3424000 
1 1 1  -46   10   15 o   10.490   0.2305   10.540   0.3326   10.440   0.3193 0.9782000E-01 0.4610000 
1 1 1  -46   10   16 o   11.870   0.2625   11.460   0.3744   12.280   0.3681 -0.8223000 0.5250000 
1 1 1  -46   10   17 o   7.0440   0.3538   7.0810   0.4329   7.0070   0.5598 0.7373000E-01 0.7077000 
1 1 1  -46   10   18 o   7.5130   0.2899   7.6100   0.3808   7.4150   0.4373 0.1958000 0.5799000 
1 1 1  -46   10   19 o   2.9460   0.6235   3.3020   0.8351   2.5890   0.9261 0.7123000 1.247000 
1 1 1  -46   10   20 o   11.470   0.2196   11.650   0.2858   11.290   0.3336 0.3529000 0.4393000 
1 1 1  -46   10   21 f   3.4690   0.6274   3.2170   0.8834   3.7210   0.8913 -0.5041000 1.255000 
1 1 1  -46   10   22 o   13.640   0.2089   13.780   0.2771   13.500   0.3127 0.2857000 0.4178000 
1 1 1  -46   10   23 o   5.9720   0.4644   6.2100   0.6223   5.7340   0.6895 0.4755000 0.9288000 
1 1 1  -46   10   24 o   6.8200   0.4684   6.6960   0.7298   6.9440   0.5874 -0.2472000 0.9368000 
1 1 1  -46   10   25 o   7.6730   0.3386   7.0340   0.4897   8.3120   0.4679 -1.278000 0.6773000 
1 1 1  -46   10   26 o   8.1020   0.3335   8.2190   0.4598   7.9850   0.4831 0.2347000 0.6670000 
1 1 1  -46   10   27 o   11.540   0.2619   11.660   0.3583   11.410   0.3821 0.2565000 0.5238000 
1 1 1  -46   12    1 o   6.3560   0.3809   6.6890   0.5452   6.0220   0.5321 0.6674000 0.7618000 
1 1 1  -46   12    2 o   6.3860   0.3700   6.4420   0.5440   6.3300   0.5018 0.1126000 0.7401000 
1 1 1  -46   12    3 o   2.8290   0.6589   2.9680   0.9563   2.6900   0.9066 0.2785000 1.318000 
1 1 1  -46   12    4 o   8.4580   0.3750   8.6110   0.5954   8.3060   0.4562 0.3048000 0.7500000 
1 1 1  -46   12    5 o   7.9990   0.3556   8.5520   0.5606   7.4460   0.4376 1.107000 0.7111000 
1 1 1  -46   12    6 o   17.500   0.1975   17.570   0.2842   17.420   0.2744 0.1531000 0.3951000 
1 1 1  -46   12    7 o   15.990   0.1945   16.020   0.2774   15.970   0.2727 0.4645000E-01 0.3890000 
1 1 1  -46   12    8 o   3.2550   0.6129   4.0010   0.8266   2.5090   0.9053 1.492000 1.226000 
1 1 1  -46   12    9 o   13.920   0.2044   13.990   0.2944   13.840   0.2836 0.1479000 0.4088000 
1 1 1  -46   12   10 o   9.7590   0.2832   9.6380   0.4018   9.8790   0.3991 -0.2405000 0.5664000 
1 1 1  -46   12   11 o   6.6870   0.3865   6.8040   0.5442   6.5700   0.5488 0.2347000 0.7729000 
1 1 1  -46   12   12 o   2.7460   0.6980   3.1260   1.0130   2.3650   0.9602 0.7602000 1.396000 
1 1 1  -46   12   13 o   8.0170   0.3157   8.0590   0.4959   7.9750   0.3908 0.8390000E-01 0.6314000 
1 1 1  -46   12   14 o   12.810   0.2045   12.550   0.3202   13.070   0.2545 -0.5190000 0.4090000 
1 1 1  -46   12   15 o   19.700   0.1834   19.560   0.2827   19.840   0.2336 -0.2784000 0.3667000 
1 1 1  -46   12   16 o   12.070   0.2165   12.090   0.3415   12.040   0.2660 0.5165000E-01 0.4329000 
1 1 1  -46   12   17 f   12.480   0.2142   12.540   0.3360   12.420   0.2659 0.1259000 0.4285000 
1 1 1  -46   12   18 o   12.530   0.2346   12.940   0.3339   12.130   0.3298 0.8054000 0.4693000 
1 1 1  -46   12   19 o   11.300   0.2543   11.030   0.3744   11.560   0.3441 -0.5247000 0.5085000 
1 1 1  -46   12   20 o   8.2040   0.3235   8.1510   0.4778   8.2570   0.4362 -0.1054000 0.6470000 
1 1 1  -46   12   21 o   4.5080   0.7006   4.3480   1.0910   4.6680   0.8794 -0.3200000 1.401000 
1 1 1  -46   12   22 o   5.5950   0.5071   6.2710   0.5198   4.9190   0.8709 1.352000 1.014000 
1 1 1  -46   12   23 o   15.220   0.2303   15.200   0.3278   15.240   0.3236 -0.4454000E-01 0.4606000 
1 1 1  -46   12   24 o   2.3090   0.6650   2.4970   0.9556   2.1220   0.9250 0.3759000 1.330000 
1 1 1  -46   12   25 o   8.2720   0.3309   7.7620   0.4649   8.7820   0.4711 -1.020000 0.6619000 
1 1 1  -46   12   26 o   7.6070   0.3603   7.4660   0.5037   7.7490   0.5152 -0.2823000 0.7205000 
1 1 1  -46   14    1 o   3.7970   0.6006   3.1280   0.9868   4.4660   0.6851 -1.338000 1.201000 
1 1 1  -46   14    2 o   2.7210   0.6082   1.9920   0.8719   3.4490   0.8482 -1.457000 1.216000 
1 1 1  -46   14    3 o   3.5870   0.6086   3.2940   0.9472   3.8810   0.7643 -0.5869000 1.217000 
1 1 1  -46   14    4 o   8.3940   0.2797   8.4630   0.4183   8.3240   0.3715 0.1391000 0.5594000 
1 1 1  -46   14    5 f   3.3370   0.6309   3.6180   0.9096   3.0570   0.8744 0.5610000 1.262000 
1 1 1  -46   14    6 o   4.2510   0.4886   3.7520   0.7734   4.7500   0.5972 -0.9972000 0.9771000 
1 1 1  -46   14    7 o   4.8770   0.4734   4.8730   0.7454   4.8800   0.5837 -0.7070000E-02 0.9468000 
1 1 1  -46   14    8 o   8.7400   0.2787   8.7800   0.4375   8.6990   0.3454 0.8087000E-01 0.5574000 
1 1 1  -46   14    9 o   10.770   0.2351   10.640   0.3640   10.900   0.2975 -0.2599000 0.4702000 
1 1 1  -46   14   10 o   13.410   0.2049   13.690   0.3123   13.140   0.2654 0.5440000 0.4098000 
1 1 1  -46   14   11 o   9.4970   0.2627   9.1890   0.4205   9.8040   0.3148 -0.6156000 0.5253000 
1 1 1  -46   14   12 f   9.6010   0.2622   9.2140   0.4161   9.9880   0.3191 -0.7734000 0.5244000 
1 1 1  -46   14   13 o   3.4110   0.6445   3.2650   0.9885   3.5560   0.8274 -0.2914000 1.289000 
1 1 1  -46   14   14 o   13.970   0.2073   14.100   0.3202   13.830   0.2635 0.2658000 0.4147000 
1 1 1  -46   14   15 o   15.770   0.2010   15.740   0.3115   15.790   0.2542 -0.5294000E-01 0.4020000 
1 1 1  -46   14   16 o   4.3630   0.5588   4.2760   0.8833   4.4510   0.6847 -0.1753000 1.118000 
1 1 1  -46   14   17 o   10.980   0.2493   10.800   0.3908   11.160   0.3096 -0.3642000 0.4986000 
1 1 1  -46   14   18 o   4.3500   0.6636   4.0420   1.1130   4.6580   0.7228 -0.6168000 1.327000 
1 1 1  -46   14   19 o   7.5280   0.4415   7.3020   0.6780   7.7540   0.5656 -0.4516000 0.8829000 
1 1 1  -46   14   20 o   12.150   0.2608   12.310   0.3777   12.000   0.3598 0.3118000 0.5216000 
1 1 1  -46   14   21 o   5.3880   0.6104   4.8450   1.0340   5.9310   0.6481 -1.086000 1.221000 
1 1 1  -46   14   22 o   6.5440   0.4879   6.7410   0.7478   6.3470   0.6270 0.3932000 0.9759000 
1 1 1  -46   14   23 o   6.1130   0.4901   7.1040   0.5963   5.1210   0.7780 1.983000 0.9803000 
1 1 1  -46   14   24 o   2.9410   0.7231   2.4270   1.0100   3.4550   1.0350 -1.028000 1.446000 
1 1 1  -46   14   25 o   8.2600   0.3825   9.0040   0.5121   7.5150   0.5683 1.489000 0.7649000 
1 1 1  -46   16    1 o   7.2520   0.3730   7.3590   0.5297   7.1450   0.5253 0.2138000 0.7460000 
1 1 1  -46   16    2 o   2.8250   0.6693   2.1350   0.9180   3.5150   0.9743 -1.380000 1.339000 
1 1 1  -46   16    3 o   3.3380   0.6511   2.6700   0.9856   4.0070   0.8510 -1.337000 1.302000 
1 1 1  -46   16    4 o   3.9390   0.6039   4.0610   0.8765   3.8160   0.8308 0.2445000 1.208000 
1 1 1  -46   16    5 o   10.640   0.2435   10.660   0.3613   10.610   0.3264 0.5164000E-01 0.4869000 
1 1 1  -46   16    6 o   7.8800   0.2815   8.0180   0.3870   7.7420   0.4088 0.2752000 0.5629000 
1 1 1  -46   16    7 o   7.0150   0.3140   7.1270   0.4366   6.9040   0.4515 0.2232000 0.6281000 
1 1 1  -46   16    8 o   2.5670   0.5705   1.5820   0.7648   3.5510   0.8467 -1.970000 1.141000 
1 1 1  -46   16    9 o   3.2380   0.6577   3.8670   0.9435   2.6090   0.9165 1.258000 1.315000 
1 1 1  -46   16   10 o   7.2300   0.3451   7.0910   0.5404   7.3690   0.4293 -0.2789000 0.6902000 
1 1 1  -46   16   11 f   6.9090   0.4245   6.7710   0.7037   7.0470   0.4751 -0.2765000 0.8491000 
1 1 1  -46   16   12 o   3.5350   0.7223   3.3180   1.1460   3.7520   0.8793 -0.4340000 1.445000 
1 1 1  -46   16   13 o   13.970   0.2545   14.170   0.4069   13.780   0.3058 0.3940000 0.5090000 
1 1 1  -46   16   14 o   2.5970   0.7228   2.6190   1.0720   2.5760   0.9702 0.4271000E-01 1.446000 
1 1 1  -46   16   15 o   9.9520   0.2739   10.010   0.4189   9.8930   0.3531 0.1179000 0.5479000 
1 1 1  -46   16   16 o   7.1570   0.3624   6.9330   0.5715   7.3810   0.4458 -0.4484000 0.7248000 
1 1 1  -46   16   17 o   9.7060   0.2883   9.6860   0.4409   9.7260   0.3717 -0.4012000E-01 0.5767000 
1 1 1  -46   16   18 f   9.0780   0.3103   8.7920   0.4872   9.3640   0.3845 -0.5715000 0.6207000 
1 1 1  -46   16   19 o   7.9270   0.4276   8.1350   0.6678   7.7200   0.5342 0.4148000 0.8552000 
1 1 1  -46   16   20 o   1.9850   0.6368   1.9700   0.9260   2.0000   0.8745 -0.3040000E-01 1.274000 
1 1 1  -46   16   21 o   3.3390   0.7275   2.9470   1.0580   3.7310   0.9989 -0.7833000 1.455000 
1 1 1  -46   16   22 o   3.0140   0.7369   3.4370   1.0640   2.5910   1.0200 0.8457000 1.474000 
1 1 1  -46   16   23 o   2.1020   0.6632   2.2250   0.9727   1.9800   0.9017 0.2451000 1.326000 
1 1 1  -46   18    1 o   2.5670   0.7798   2.7960   1.1860   2.3370   1.0120 0.4592000 1.560000 
1 1 1  -46   18    2 o   3.4520   0.7294   4.2840   1.0060   2.6200   1.0570 1.664000 1.459000 
1 1 1  -46   18    3 o   6.2120   0.4229   6.1170   0.6297   6.3060   0.5647 -0.1892000 0.8458000 
1 1 1  -46   18    4 o   11.380   0.2560   11.470   0.3784   11.290   0.3449 0.1850000 0.5120000 
1 1 1  -46   18    5 o   2.7620   0.6927   2.6390   0.9895   2.8850   0.9696 -0.2465000 1.385000 
1 1 1  -46   18    6 o   9.7440   0.2655   10.050   0.3625   9.4340   0.3880 0.6212000 0.5310000 
1 1 1  -46   18    7 o   8.0130   0.3127   7.4880   0.4635   8.5390   0.4199 -1.051000 0.6254000 
1 1 1  -46   18    8 o   8.5040   0.3210   7.9840   0.5122   9.0250   0.3873 -1.041000 0.6421000 
1 1 1  -46   18    9 o   7.0730   0.3739   7.6490   0.5333   6.4980   0.5243 1.151000 0.7479000 
1 1 1  -46   18   10 o   13.210   0.2622   13.700   0.3602   12.710   0.3811 0.9914000 0.5244000 
1 1 1  -46   18   11 o   5.7630   0.4633   5.9180   0.7016   5.6080   0.6053 0.3102000 0.9266000 
1 1 1  -46   18   12 o   1.7840   0.5865   1.8490   0.8632   1.7180   0.7943 0.1308000 1.173000 
1 1 1  -46   18   13 o   7.7910   0.3501   8.1910   0.5166   7.3900   0.4726 0.8006000 0.7002000 
1 1 1  -46   18   14 o   9.7690   0.2942   9.4260   0.4586   10.110   0.3685 -0.6851000 0.5883000 
1 1 1  -46   18   15 o   9.6420   0.3839   9.9490   0.5783   9.3340   0.5050 0.6149000 0.7678000 
1 1 1  -46   18   16 o   2.9980   0.7921   2.8850   1.1570   3.1110   1.0820 -0.2262000 1.584000 
1 1 1  -46   18   17 o   2.9710   0.7647   3.3640   1.1880   2.5790   0.9629 0.7852000 1.529000 
1 1 1  -46   18   18 o   5.1990   0.5431   4.7890   0.8757   5.6100   0.6425 -0.8206000 1.086000 
1 1 1  -46   18   19 o   2.4210   0.6810   2.1340   0.9460   2.7080   0.9798 -0.5734000 1.362000 
1 1 1  -46   18   20 o   3.7260   0.7034   3.8900   1.0420   3.5620   0.9456 0.3283000 1.407000 
1 1 1  -46   18   21 o   2.8220   0.7102   2.4150   1.0150   3.2280   0.9942 -0.8132000 1.420000 
1 1 1  -46   20    1 o   3.9550   0.7366   4.0540   1.1220   3.8560   0.9546 0.1985000 1.473000 
1 1 1  -46   20    2 o   4.1140   0.7114   4.5830   1.0400   3.6440   0.9705 0.9393000 1.423000 
1 1 1  -46   20    3 o   2.1520   0.6748   2.3350   1.0220   1.9690   0.8816 0.3661000 1.350000 
1 1 1  -46   20    4 o   2.3500   0.6687   2.9400   1.0560   1.7590   0.8207 1.181000 1.337000 
1 1 1  -46   20    5 o   1.9190   0.6094   1.9700   0.8729   1.8680   0.8506 0.1019000 1.219000 
1 1 1  -46   20    6 o   14.190   0.2250   14.250   0.3168   14.120   0.3196 0.1316000 0.4500000 
1 1 1  -46   20    7 o   6.9750   0.4146   6.6840   0.6542   7.2650   0.5094 -0.5813000 0.8292000 
1 1 1  -46   20    8 o   1.8740   0.6300   2.0530   0.9790   1.6940   0.7932 0.3584000 1.260000 
1 1 1  -46   20    9 o   4.9960   0.6804   4.7000   1.1860   5.2920   0.6680 -0.5923000 1.361000 
1 1 1  -46   20   10 o   2.1810   0.6880   2.2500   1.0360   2.1130   0.9058 0.1362000 1.376000 
1 1 1  -46   20   11 o   6.1890   0.4570   6.0730   0.7120   6.3050   0.5732 -0.2317000 0.9140000 
1 1 1  -46   20   12 o   4.6170   0.6215   4.9250   0.9094   4.3100   0.8475 0.6153000 1.243000 
1 1 1  -46   20   13 o   3.9410   0.6711   3.2390   1.0890   4.6420   0.7843 -1.403000 1.342000 
1 1 1  -46   20   14 o   2.7770   0.7241   2.9340   1.0710   2.6200   0.9751 0.3143000 1.448000 
1 1 1  -46   20   15 o   4.0910   0.6705   3.6490   1.0630   4.5320   0.8182 -0.8836000 1.341000 
1 1 1  -46   20   16 o   3.8010   0.7085   4.2970   0.9940   3.3050   1.0100 0.9921000 1.417000 
1 1 1  -46   20   17 o   3.1330   0.7050   2.4800   1.0250   3.7870   0.9678 -1.307000 1.410000 
1 1 1  -46   20   18 o   2.7440   0.7338   2.6680   1.0560   2.8210   1.0190 -0.1533000 1.468000 
1 1 1  -46   20   19 o   3.0230   0.8487   3.2420   1.2320   2.8030   1.1680 0.4389000 1.697000 
1 1 1  -46   22    1 o   2.6450   0.7705   3.4580   1.2700   1.8310   0.8721 1.627000 1.541000 
1 1 1  -46   22    2 o   6.0880   0.5506   5.7210   0.9194   6.4540   0.6062 -0.7338000 1.101000 
1 1 1  -46   22    3 o   1.6330   0.5675   1.8780   0.9019   1.3870   0.6890 0.4912000 1.135000 
1 1 1  -46   22    4 o   2.6600   0.7505   2.7990   1.1260   2.5220   0.9924 0.2767000 1.501000 
1 1 1  -46   22    5 o   2.6810   0.7144   2.9840   1.0460   2.3770   0.9730 0.6070000 1.429000 
1 1 1  -46   22    6 o   3.2500   0.7002   2.5450   1.0190   3.9550   0.9607 -1.410000 1.400000 
1 1 1  -46   22    7 o   2.1370   0.6556   1.9130   0.8817   2.3600   0.9706 -0.4469000 1.311000 
1 1 1  -46   22    8 o   4.4570   0.6693   5.1170   0.9250   3.7970   0.9676 1.320000 1.339000 
1 1 1  -46   22    9 o   3.2120   0.7634   3.3030   1.1360   3.1200   1.0200 0.1826000 1.527000 
1 1 1  -46   22   10 o   3.0190   0.7522   3.0180   1.1120   3.0190   1.0130 -0.1213000E-02 1.504000 
1 1 1  -46   22   11 o   9.4640   0.3422   9.3280   0.5365   9.5990   0.4249 -0.2707000 0.6844000 
1 1 1  -46   22   12 o   2.0860   0.6487   1.7560   0.8517   2.4170   0.9787 -0.6611000 1.297000 
1 1 1  -46   22   13 o   6.5160   0.4810   6.2580   0.7695   6.7730   0.5775 -0.5149000 0.9621000 
1 1 1  -46   22   14 o   8.5610   0.3682   8.3200   0.5730   8.8030   0.4625 -0.4831000 0.7364000 
1 1 1  -46   22   15 o   1.7450   0.5966   1.6270   0.8072   1.8630   0.8787 -0.2362000 1.193000 
1 1 1  -46   24    1 o   1.9670   0.6373   1.7800   0.8541   2.1540   0.9461 -0.3741000 1.275000 
1 1 1  -46   24    2 o   3.7750   0.6580   2.4380   1.0430   5.1110   0.8027 -2.674000 1.316000 
1 1 1  -46   24    3 o   2.7480   0.7567   3.4460   1.2050   2.0510   0.9162 1.394000 1.513000 
1 1 1  -46   24    4 o   2.0660   0.6707   2.6010   1.1130   1.5320   0.7492 1.069000 1.341000 
1 1 1  -46   24    5 o   2.3330   0.7031   2.1160   0.9653   2.5490   1.0220 -0.4333000 1.406000 
1 1 1  -46   24    6 o   1.9160   0.6262   1.8350   0.8639   1.9960   0.9068 -0.1615000 1.252000 
1 1 1  -46   24    7 o   4.3990   0.6596   3.4100   1.0780   5.3880   0.7610 -1.978000 1.319000 
1 1 1  -46   24    8 f   2.1820   0.6850   2.2150   0.9967   2.1480   0.9400 0.6782000E-01 1.370000 
1 1 1  -45    1    1 o   2.6510   0.5507   1.6920   0.7746   3.6100   0.7830 -1.919000 1.101000 
1 1 1  -45    1    2 o   19.200   0.1721   18.910   0.2650   19.500   0.2197 -0.5940000 0.3442000 
1 1 1  -45    1    3 o   4.8470   0.3266   4.9410   0.4925   4.7530   0.4290 0.1885000 0.6531000 
1 1 1  -45    1    4 o   7.5810   0.1637   7.4200   0.2475   7.7430   0.2144 -0.3223000 0.3274000 
1 1 1  -45    1    5 o   11.900   0.1623  ?   ?    11.900   0.1623      ?      ? 
1 1 1  -45    1    6 o   13.720   0.3344  ?   ?    13.720   0.3344      ?      ? 
1 1 1  -45    1    7 o   13.470   0.2298  ?   ?    13.470   0.2298      ?      ? 
1 1 1  -45    1    8 o   6.5890   0.3268  ?   ?    6.5890   0.3268      ?      ? 
1 1 1  -45    1    9 o   20.310   0.2469  ?   ?    20.310   0.2469      ?      ? 
1 1 1  -45    1   10 o   7.0320   0.3613   6.9520   0.4682   7.1110   0.5503 -0.1592000 0.7225000 
1 1 1  -45    1   11 o   13.440   0.1350   13.040   0.1551   13.840   0.2211 -0.7960000 0.2700000 
1 1 1  -45    1   12 o   11.480   0.1443   11.480   0.2052   11.480   0.2030 0.5808000E-03 0.2887000 
1 1 1  -45    1   13 o   9.6470   0.1699   9.8010   0.2445   9.4930   0.2361 0.3075000 0.3398000 
1 1 1  -45    1   14 o   19.180   0.1413   19.170   0.1842   19.190   0.2144 -0.1324000E-01 0.2827000 
1 1 1  -45    1   15 o   11.730   0.1541   11.570   0.2035   11.900   0.2314 -0.3315000 0.3082000 
1 1 1  -45    1   16 o   18.340   0.1728   18.570   0.2241   18.110   0.2632 0.4633000 0.3457000 
1 1 1  -45    1   17 o   16.120   0.1828   15.880   0.2271   16.370   0.2866 -0.4935000 0.3657000 
1 1 1  -45    1   18 o   17.280   0.1560   17.210   0.2048   17.340   0.2353 -0.1262000 0.3119000 
1 1 1  -45    1   19 o   2.6940   0.5722   3.0070   0.7629   2.3810   0.8529 0.6260000 1.144000 
1 1 1  -45    1   20 o   2.5630   0.5974   2.6810   0.8102   2.4450   0.8781 0.2360000 1.195000 
1 1 1  -45    1   21 o   9.8820   0.2145   9.6820   0.2850   10.080   0.3205 -0.3999000 0.4289000 
1 1 1  -45    1   22 o   11.490   0.2000   11.500   0.2614   11.480   0.3028 0.1238000E-01 0.4000000 
1 1 1  -45    1   23 o   7.6600   0.2729   7.5450   0.3697   7.7750   0.4014 -0.2306000 0.5457000 
1 1 1  -45    1   24 o   4.9890   0.5134   4.6460   0.6934   5.3330   0.7573 -0.6877000 1.027000 
1 1 1  -45    1   25 o   11.540   0.2403   11.090   0.3527   11.980   0.3265 -0.8930000 0.4806000 
1 1 1  -45    1   26 o   8.0800   0.2987   7.9990   0.4030   8.1620   0.4410 -0.1638000 0.5974000 
1 1 1  -45    1   28 o   2.9920   0.6692   2.3750   0.9304   3.6080   0.9621 -1.233000 1.338000 
1 1 1  -45    1   29 o   2.8070   0.8115   2.8490   1.1170   2.7650   1.1780 0.8366000E-01 1.623000 
1 1 1  -45    1   30 o   7.0630   0.3887   7.0300   0.5181   7.0960   0.5795 -0.6574000E-01 0.7774000 
1 1 1  -45    3    1 o   22.300   0.2055   22.470   0.2976   22.130   0.2833 0.3410000 0.4109000 
1 1 1  -45    3    2 o   2.9490   0.5706   2.9710   0.8601   2.9270   0.7500 0.4372000E-01 1.141000 
1 1 1  -45    3    3 o   9.4320   0.1841   9.3500   0.2927   9.5150   0.2232 -0.1649000 0.3681000 
1 1 1  -45    3    4 o   31.210   0.2797   30.980   0.5044   31.450   0.2417 -0.4685000 0.5593000 
1 1 1  -45    3    5 o   19.230   0.4022   19.230   0.4022  ?   ?       ?      ? 
1 1 1  -45    3    6 o   17.020   0.2411   16.660   0.3940   17.370   0.2779 -0.7050000 0.4821000 
1 1 1  -45    3    7 o   19.280   0.2405   19.130   0.3926   19.430   0.2780 -0.2979000 0.4810000 
1 1 1  -45    3    8 o   16.560   0.2349   15.970   0.3813   17.140   0.2745 -1.172000 0.4698000 
1 1 1  -45    3    9 o   8.6170   0.2520   8.6570   0.3472   8.5770   0.3654 0.7949000E-01 0.5041000 
1 1 1  -45    3   10 o   12.070   0.2040   11.990   0.2866   12.150   0.2904 -0.1611000 0.4080000 
1 1 1  -45    3   11 o   21.460   0.1990   21.350   0.2768   21.560   0.2859 -0.2134000 0.3979000 
1 1 1  -45    3   12 o   17.350   0.1380   17.600   0.1910   17.100   0.1991 0.4949000 0.2759000 
1 1 1  -45    3   13 o   3.9540   0.3745   4.4340   0.4820   3.4740   0.5732 0.9604000 0.7489000 
1 1 1  -45    3   14 o   24.030   0.1849   23.900   0.2357   24.170   0.2849 -0.2628000 0.3698000 
1 1 1  -45    3   15 o   12.340   0.1552   12.470   0.2068   12.210   0.2315 0.2576000 0.3104000 
1 1 1  -45    3   16 o   7.5790   0.2269   7.8760   0.2885   7.2810   0.3504 0.5949000 0.4539000 
1 1 1  -45    3   17 o   10.500   0.2314   10.440   0.2850   10.560   0.3646 -0.1246000 0.4628000 
1 1 1  -45    3   18 f   8.0560   0.2293   8.2670   0.2981   7.8440   0.3486 0.4232000 0.4587000 
1 1 1  -45    3   19 o   2.2780   0.5643   1.6890   0.7378   2.8680   0.8541 -1.179000 1.129000 
1 1 1  -45    3   20 o   12.560   0.1855   12.710   0.2421   12.400   0.2811 0.3123000 0.3710000 
1 1 1  -45    3   21 o   14.560   0.1770   14.620   0.2352   14.490   0.2646 0.1258000 0.3540000 
1 1 1  -45    3   22 o   7.4420   0.2795   7.1730   0.3820   7.7120   0.4081 -0.5391000 0.5590000 
1 1 1  -45    3   23 o   2.7900   0.6832   2.9200   0.9258   2.6600   1.0050 0.2599000 1.366000 
1 1 1  -45    3   24 o   11.050   0.2233   10.800   0.3035   11.310   0.3276 -0.5062000 0.4466000 
1 1 1  -45    3   25 o   5.8460   0.4727   4.9330   0.7105   6.7590   0.6236 -1.827000 0.9454000 
1 1 1  -45    3   26 o   17.030   0.1922   17.210   0.2536   16.860   0.2890 0.3538000 0.3845000 
1 1 1  -45    3   27 o   5.9060   0.4157   5.8220   0.5648   5.9910   0.6102 -0.1697000 0.8315000 
1 1 1  -45    3   28 o   7.6340   0.4051   7.1060   0.5984   8.1610   0.5463 -1.055000 0.8103000 
1 1 1  -45    3   29 o   17.230   0.2501   17.250   0.3137   17.210   0.3895 0.4298000E-01 0.5001000 
1 1 1  -45    3   30 o   4.4830   0.5969   4.1120   0.8736   4.8540   0.8136 -0.7420000 1.194000 
1 1 1  -45    5    1 o   17.230   0.1828   16.950   0.2990   17.510   0.2105 -0.5604000 0.3656000 
1 1 1  -45    5    2 o   5.8550   0.3271   6.0100   0.5130   5.7010   0.4059 0.3082000 0.6542000 
1 1 1  -45    5    3 o   17.030   0.1912   17.180   0.2659   16.870   0.2747 0.3123000 0.3823000 
1 1 1  -45    5    4 o   21.570   0.2146  ?   ?    21.570   0.2146      ?      ? 
1 1 1  -45    5    5 f   17.540   0.3078   18.100   0.4416   16.980   0.4288 1.118000 0.6155000 
1 1 1  -45    5    6 o   4.5980   0.7840   4.4310   1.1770   4.7650   1.0370 -0.3349000 1.568000 
1 1 1  -45    5    7 o   10.990   0.3539   10.690   0.5204   11.290   0.4797 -0.6044000 0.7077000 
1 1 1  -45    5    8 o   23.670   0.3133   23.130   0.4467   24.220   0.4393 -1.091000 0.6265000 
1 1 1  -45    5    9 o   27.810   0.3331   28.160   0.4792   27.450   0.4630 0.7116000 0.6663000 
1 1 1  -45    5   10 o   16.440   0.2910   16.690   0.4156   16.180   0.4076 0.5075000 0.5821000 
1 1 1  -45    5   11 o   4.7020   0.5566   4.2590   1.0920   5.1450   0.2181 -0.8865000 1.113000 
1 1 1  -45    5   12 o   10.830   0.1450   10.590   0.2311   11.060   0.1753 -0.4699000 0.2901000 
1 1 1  -45    5   13 f   19.990   0.1737   19.680   0.2651   20.300   0.2247 -0.6215000 0.3475000 
1 1 1  -45    5   14 f   16.790   0.1559   16.670   0.2179   16.910   0.2231 -0.2354000 0.3118000 
1 1 1  -45    5   15 o   10.580   0.1775   10.660   0.2384   10.500   0.2631 0.1590000 0.3551000 
1 1 1  -45    5   16 o   14.010   0.1618   14.310   0.2167   13.700   0.2403 0.6127000 0.3236000 
1 1 1  -45    5   17 o   4.6250   0.5217   4.3900   0.7095   4.8610   0.7652 -0.4710000 1.043000 
1 1 1  -45    5   18 o   2.3230   0.5776   1.9280   0.7792   2.7180   0.8528 -0.7900000 1.155000 
1 1 1  -45    5   19 o   12.810   0.1800   12.840   0.2401   12.780   0.2682 0.6166000E-01 0.3600000 
1 1 1  -45    5   20 o   5.4950   0.3543   5.8750   0.4467   5.1150   0.5501 0.7601000 0.7086000 
1 1 1  -45    5   21 o   4.9960   0.4195   5.6950   0.4728   4.2960   0.6931 1.400000 0.8390000 
1 1 1  -45    5   22 o   13.520   0.2284   13.590   0.2928   13.460   0.3508 0.1291000 0.4569000 
1 1 1  -45    5   23 o   6.0550   0.3557   6.0150   0.4985   6.0950   0.5076 -0.7996000E-01 0.7115000 
1 1 1  -45    5   24 o   7.5880   0.2981   7.8900   0.3936   7.2860   0.4479 0.6040000 0.5962000 
1 1 1  -45    5   25 o   14.490   0.2142   14.280   0.3113   14.700   0.2943 -0.4129000 0.4284000 
1 1 1  -45    5   26 f   9.2670   0.2698   9.2250   0.3695   9.3090   0.3932 -0.8470000E-01 0.5396000 
1 1 1  -45    5   27 f   10.240   0.3085   10.370   0.4152   10.120   0.4564 0.2480000 0.6170000 
1 1 1  -45    5   28 o   12.550   0.2331   12.300   0.3126   12.790   0.3457 -0.4981000 0.4661000 
1 1 1  -45    5   29 o   1.9100   0.6316   1.4840   0.7268   2.3370   1.0330 -0.8527000 1.263000 
1 1 1  -45    5   30 o   2.1620   1.0620   2.1620   1.0620  ?   ?       ?      ? 
1 1 1  -45    7    1 o   15.150   0.1665   15.000   0.2445   15.290   0.2259 -0.2918000 0.3329000 
1 1 1  -45    7    2 f   9.9940   0.1946   10.090   0.2777   9.8950   0.2726 0.1991000 0.3891000 
1 1 1  -45    7    3 o   8.1570   0.2050   8.0560   0.3041   8.2570   0.2750 -0.2019000 0.4100000 
1 1 1  -45    7    4 o   4.8130   0.4366   5.0330   0.5999   4.5940   0.6346 0.4396000 0.8732000 
1 1 1  -45    7    5 o   5.5740   0.2365   5.9210   0.3218   5.2270   0.3468 0.6932000 0.4731000 
1 1 1  -45    7    6 o   5.1250   0.2640   5.6860   0.3855   4.5640   0.3607 1.123000 0.5279000 
1 1 1  -45    7    7 o   2.8060   0.6030   3.8150   1.0220   1.7960   0.6397 2.019000 1.206000 
1 1 1  -45    7    8 o   14.020   0.1839   14.440   0.3296   13.600   0.1632 0.8425000 0.3678000 
1 1 1  -45    7    9 o   21.450   0.1510   21.580   0.2326   21.320   0.1925 0.2575000 0.3019000 
1 1 1  -45    7   10 o   10.520   0.1283   10.430   0.1817   10.620   0.1813 -0.1962000 0.2567000 
1 1 1  -45    7   11 o   1.8550   0.4994   2.0360   0.6968   1.6750   0.7155 0.3604000 0.9988000 
1 1 1  -45    7   12 o   5.5580   0.3029   5.5590   0.4347   5.5570   0.4218 0.1752000E-02 0.6057000 
1 1 1  -45    7   13 o   13.690   0.1420   13.700   0.2047   13.690   0.1969 0.5773000E-02 0.2841000 
1 1 1  -45    7   14 o   15.030   0.1583   15.000   0.2095   15.060   0.2374 -0.6400000E-01 0.3166000 
1 1 1  -45    7   15 o   16.320   0.1597   16.410   0.2091   16.220   0.2414 0.1874000 0.3194000 
1 1 1  -45    7   16 o   7.3110   0.2572   7.5140   0.3334   7.1090   0.3917 0.4045000 0.5144000 
1 1 1  -45    7   17 o   9.1910   0.2836   9.2250   0.3485   9.1570   0.4477 0.6802000E-01 0.5673000 
1 1 1  -45    7   18 o   7.9290   0.2544   7.5570   0.3490   8.3020   0.3702 -0.7443000 0.5088000 
1 1 1  -45    7   19 o   13.320   0.1895   13.000   0.2537   13.640   0.2816 -0.6392000 0.3790000 
1 1 1  -45    7   20 o   11.760   0.2437   12.050   0.3119   11.480   0.3746 0.5694000 0.4875000 
1 1 1  -45    7   21 o   11.530   0.2540   11.030   0.3395   12.030   0.3778 -0.9943000 0.5080000 
1 1 1  -45    7   22 o   5.9200   0.3740   6.1960   0.4898   5.6450   0.5653 0.5511000 0.7480000 
1 1 1  -45    7   23 o   8.8250   0.2645   8.4950   0.3719   9.1540   0.3762 -0.6594000 0.5290000 
1 1 1  -45    7   24 o   9.3260   0.2637   9.3690   0.3540   9.2830   0.3908 0.8662000E-01 0.5273000 
1 1 1  -45    7   25 o   18.270   0.2066   18.500   0.2945   18.040   0.2898 0.4622000 0.4132000 
1 1 1  -45    7   26 o   7.4570   0.3871   7.5740   0.5289   7.3410   0.5654 0.2330000 0.7742000 
1 1 1  -45    7   27 o   10.310   0.2650   9.9110   0.3695   10.710   0.3801 -0.7966000 0.5301000 
1 1 1  -45    7   28 o   3.6730   0.6609   3.0220   0.9701   4.3240   0.8978 -1.302000 1.322000 
1 1 1  -45    7   29 o   11.240   0.3217   11.400   0.3967   11.080   0.5065 0.3125000 0.6434000 
1 1 1  -45    9    1 o   3.7750   0.6435   3.5840   0.9978   3.9670   0.8129 -0.3834000 1.287000 
1 1 1  -45    9    2 o   16.950   0.1675   17.090   0.2483   16.800   0.2249 0.2897000 0.3350000 
1 1 1  -45    9    3 o   6.6160   0.2814   6.6770   0.4201   6.5540   0.3745 0.1229000 0.5628000 
1 1 1  -45    9    4 o   7.6270   0.2389   7.8460   0.3490   7.4090   0.3262 0.4368000 0.4777000 
1 1 1  -45    9    5 o   7.9140   0.2223   7.9250   0.3273   7.9040   0.3009 0.2159000E-01 0.4446000 
1 1 1  -45    9    6 o   6.0670   0.3148   6.1820   0.5091   5.9510   0.3706 0.2315000 0.6297000 
1 1 1  -45    9    7 o   13.470   0.1653   13.640   0.2537   13.310   0.2119 0.3288000 0.3305000 
1 1 1  -45    9    8 o   9.1090   0.2704   9.6640   0.4688   8.5540   0.2695 1.110000 0.5408000 
1 1 1  -45    9    9 o   2.3340   0.5887   2.6540   0.8935   2.0140   0.7669 0.6394000 1.177000 
1 1 1  -45    9   10 f   25.360   0.1760   25.140   0.2693   25.580   0.2266 -0.4449000 0.3519000 
1 1 1  -45    9   11 o   17.450   0.1621   17.170   0.2503   17.740   0.2059 -0.5756000 0.3241000 
1 1 1  -45    9   12 o   9.5260   0.2117   9.1640   0.3400   9.8880   0.2523 -0.7242000 0.4234000 
1 1 1  -45    9   13 o   11.950   0.1856   12.080   0.2894   11.820   0.2324 0.2547000 0.3712000 
1 1 1  -45    9   14 o   8.2470   0.2423   8.7430   0.3649   7.7510   0.3188 0.9917000 0.4845000 
1 1 1  -45    9   15 o   10.350   0.2701   10.050   0.3374   10.640   0.4220 -0.5948000 0.5403000 
1 1 1  -45    9   16 o   25.160   0.2239   24.950   0.2769   25.360   0.3518 -0.4075000 0.4477000 
1 1 1  -45    9   17 o   4.4140   0.4557   4.6710   0.5611   4.1570   0.7181 0.5140000 0.9113000 
1 1 1  -45    9   18 o   8.0220   0.3184   8.3580   0.3781   7.6860   0.5124 0.6722000 0.6368000 
1 1 1  -45    9   19 o   15.690   0.2167   15.670   0.2736   15.720   0.3360 -0.5473000E-01 0.4333000 
1 1 1  -45    9   20 o   3.1660   0.6245   3.0310   0.8729   3.3020   0.8932 -0.2716000 1.249000 
1 1 1  -45    9   21 o   14.900   0.1929   14.830   0.2578   14.960   0.2870 -0.1361000 0.3858000 
1 1 1  -45    9   22 o   1.9100   0.5858   1.6750   0.7684   2.1440   0.8845 -0.4683000 1.172000 
1 1 1  -45    9   23 o   10.030   0.2550   10.180   0.3454   9.8750   0.3753 0.3037000 0.5101000 
1 1 1  -45    9   24 o   2.2730   0.6957   2.5860   1.0690   1.9610   0.8908 0.6252000 1.391000 
1 1 1  -45    9   25 o   8.3270   0.3319   7.9960   0.4442   8.6580   0.4932 -0.6621000 0.6637000 
1 1 1  -45    9   26 o   2.1550   0.6449   2.0590   0.8868   2.2520   0.9364 -0.1931000 1.290000 
1 1 1  -45    9   27 o   6.9180   0.3813   6.9430   0.5344   6.8920   0.5441 0.5050000E-01 0.7626000 
1 1 1  -45    9   28 o   5.4090   0.5086   4.8160   0.7637   6.0020   0.6718 -1.187000 1.017000 
1 1 1  -45   11    1 o   5.7760   0.3634   6.0880   0.5146   5.4650   0.5132 0.6235000 0.7267000 
1 1 1  -45   11    2 o   13.890   0.2228   13.970   0.3682   13.800   0.2508 0.1697000 0.4455000 
1 1 1  -45   11    3 o   10.370   0.2705   10.720   0.4121   10.020   0.3507 0.7035000 0.5411000 
1 1 1  -45   11    4 o   11.320   0.2179   11.410   0.2905   11.240   0.3248 0.1754000 0.4357000 
1 1 1  -45   11    5 o   9.8080   0.2138   9.9540   0.3146   9.6630   0.2896 0.2904000 0.4276000 
1 1 1  -45   11    6 o   7.0760   0.2617   7.4230   0.3556   6.7290   0.3840 0.6940000 0.5233000 
1 1 1  -45   11    7 o   7.1000   0.2956   6.4120   0.4900   7.7880   0.3307 -1.376000 0.5912000 
1 1 1  -45   11    8 o   14.000   0.1822   13.960   0.2832   14.050   0.2294 -0.9115000E-01 0.3644000 
1 1 1  -45   11    9 o   6.1620   0.3373   5.7350   0.5556   6.5890   0.3827 -0.8536000 0.6746000 
1 1 1  -45   11   10 o   2.8110   0.6227   2.9760   0.9256   2.6460   0.8333 0.3302000 1.245000 
1 1 1  -45   11   11 o   4.3830   0.4663   4.8230   0.6651   3.9440   0.6539 0.8789000 0.9327000 
1 1 1  -45   11   12 o   6.3810   0.3530   5.7830   0.5482   6.9790   0.4448 -1.196000 0.7060000 
1 1 1  -45   11   13 o   14.950   0.1953   14.700   0.2807   15.190   0.2717 -0.4972000 0.3906000 
1 1 1  -45   11   14 o   5.0460   0.5285   4.9070   0.7687   5.1860   0.7254 -0.2794000 1.057000 
1 1 1  -45   11   15 o   8.8190   0.2933   8.8090   0.4616   8.8300   0.3620 -0.2111000E-01 0.5867000 
1 1 1  -45   11   16 o   12.310   0.2208   12.110   0.3302   12.510   0.2932 -0.3976000 0.4416000 
1 1 1  -45   11   17 o   12.950   0.2267   13.100   0.3270   12.800   0.3141 0.2981000 0.4534000 
1 1 1  -45   11   18 o   10.660   0.2537   10.810   0.3703   10.510   0.3468 0.2966000 0.5073000 
1 1 1  -45   11   19 o   16.550   0.2061   16.470   0.2996   16.630   0.2830 -0.1668000 0.4122000 
1 1 1  -45   11   20 o   14.960   0.1974   15.120   0.2590   14.800   0.2979 0.3202000 0.3948000 
1 1 1  -45   11   21 o   3.5960   0.6067   4.1850   0.7358   3.0070   0.9647 1.178000 1.213000 
1 1 1  -45   11   22 o   7.6130   0.3767   8.1640   0.4720   7.0620   0.5873 1.102000 0.7535000 
1 1 1  -45   11   23 o   11.440   0.3067   11.530   0.4545   11.350   0.4120 0.1809000 0.6135000 
1 1 1  -45   11   24 o   8.9760   0.3022   9.0880   0.3952   8.8640   0.4574 0.2234000 0.6045000 
1 1 1  -45   11   25 o   6.4610   0.5227   7.3350   0.4868   5.5870   0.9252 1.748000 1.045000 
1 1 1  -45   11   26 o   9.8160   0.2875   9.9930   0.3842   9.6390   0.4279 0.3545000 0.5751000 
1 1 1  -45   11   27 o   9.4680   0.3009   9.2960   0.4096   9.6400   0.4409 -0.3445000 0.6017000 
1 1 1  -45   13    1 o   7.8920   0.3124   8.2770   0.4721   7.5060   0.4092 0.7715000 0.6247000 
1 1 1  -45   13    2 o   2.4430   0.6481   2.5610   0.9499   2.3250   0.8818 0.2362000 1.296000 
1 1 1  -45   13    3 o   7.4850   0.2997   7.7610   0.4326   7.2090   0.4150 0.5514000 0.5994000 
1 1 1  -45   13    4 o   10.440   0.2296   10.550   0.3395   10.320   0.3092 0.2276000 0.4592000 
1 1 1  -45   13    5 o   2.1620   0.6272   1.9800   0.8732   2.3450   0.9005 -0.3650000 1.254000 
1 1 1  -45   13    6 o   6.0780   0.3514   5.7340   0.5248   6.4220   0.4676 -0.6876000 0.7029000 
1 1 1  -45   13    7 o   8.9920   0.2910   8.9640   0.4553   9.0200   0.3626 -0.5543000E-01 0.5821000 
1 1 1  -45   13    8 o   7.9610   0.3216   8.1780   0.5027   7.7430   0.4014 0.4351000 0.6433000 
1 1 1  -45   13    9 o   6.6370   0.3748   6.5290   0.5946   6.7450   0.4566 -0.2159000 0.7496000 
1 1 1  -45   13   10 o   6.1480   0.3694   6.3290   0.5304   5.9670   0.5144 0.3619000 0.7389000 
1 1 1  -45   13   11 o   4.6880   0.4830   4.4930   0.7801   4.8830   0.5696 -0.3895000 0.9659000 
1 1 1  -45   13   12 o   15.700   0.1936   15.530   0.2962   15.870   0.2492 -0.3385000 0.3871000 
1 1 1  -45   13   13 o   2.4200   0.6299   3.0780   0.9914   1.7610   0.7772 1.317000 1.260000 
1 1 1  -45   13   14 o   11.120   0.2284   11.310   0.3528   10.930   0.2902 0.3817000 0.4569000 
1 1 1  -45   13   15 o   7.7010   0.3102   7.8100   0.4799   7.5920   0.3930 0.2180000 0.6203000 
1 1 1  -45   13   16 o   14.150   0.2061   14.060   0.3225   14.240   0.2567 -0.1823000 0.4122000 
1 1 1  -45   13   17 o   13.640   0.2128   13.470   0.3341   13.820   0.2638 -0.3478000 0.4257000 
1 1 1  -45   13   18 o   6.4630   0.4056   6.3010   0.6013   6.6250   0.5444 -0.3241000 0.8112000 
1 1 1  -45   13   19 o   3.6150   0.7710   3.3790   1.1540   3.8510   1.0230 -0.4718000 1.542000 
1 1 1  -45   13   20 o   4.7230   0.6945   4.4180   1.0800   5.0280   0.8741 -0.6106000 1.389000 
1 1 1  -45   13   21 o   11.450   0.2695   11.420   0.3889   11.480   0.3731 -0.6658000E-01 0.5389000 
1 1 1  -45   13   22 o   2.2890   0.6686   1.8070   0.8663   2.7720   1.0190 -0.9648000 1.337000 
1 1 1  -45   13   23 o   4.0280   0.6719   4.2870   0.9287   3.7700   0.9711 0.5170000 1.344000 
1 1 1  -45   13   24 o   6.9260   0.3884   7.0390   0.5051   6.8130   0.5900 0.2253000 0.7767000 
1 1 1  -45   13   25 o   4.6520   0.5905   4.5570   0.8067   4.7470   0.8625 -0.1901000 1.181000 
1 1 1  -45   13   26 o   2.2040   0.6721   1.9880   0.8878   2.4210   1.0090 -0.4329000 1.344000 
1 1 1  -45   15    1 o   5.4460   0.4846   6.0110   0.6792   4.8800   0.6912 1.131000 0.9691000 
1 1 1  -45   15    2 o   6.0650   0.4238   6.0080   0.6657   6.1210   0.5246 -0.1125000 0.8476000 
1 1 1  -45   15    3 o   7.5260   0.3470   7.0100   0.5670   8.0420   0.4004 -1.032000 0.6941000 
1 1 1  -45   15    4 f   6.2560   0.3910   5.5790   0.6448   6.9340   0.4423 -1.355000 0.7819000 
1 1 1  -45   15    5 o   7.5040   0.3113   8.0650   0.4442   6.9430   0.4363 1.122000 0.6227000 
1 1 1  -45   15    6 o   5.2250   0.4024   5.7100   0.5224   4.7390   0.6122 0.9714000 0.8048000 
1 1 1  -45   15    7 o   5.7850   0.4476   5.1530   0.7676   6.4160   0.4604 -1.263000 0.8951000 
1 1 1  -45   15    8 o   7.3380   0.3319   7.8570   0.4939   6.8180   0.4435 1.039000 0.6638000 
1 1 1  -45   15    9 o   7.5680   0.3155   8.0000   0.4687   7.1350   0.4225 0.8648000 0.6310000 
1 1 1  -45   15   10 o   11.580   0.2325   11.510   0.3579   11.660   0.2967 -0.1438000 0.4649000 
1 1 1  -45   15   11 o   5.3890   0.4701   4.8760   0.7895   5.9020   0.5106 -1.025000 0.9402000 
1 1 1  -45   15   12 o   3.8580   0.6335   3.8170   0.9885   3.8990   0.7926 -0.8148000E-01 1.267000 
1 1 1  -45   15   13 o   10.470   0.2591   10.470   0.3996   10.470   0.3299 -0.3417000E-02 0.5182000 
1 1 1  -45   15   14 o   9.0480   0.2897   8.9550   0.4512   9.1410   0.3634 -0.1854000 0.5793000 
1 1 1  -45   15   15 o   3.4690   0.6640   2.6080   1.0740   4.3290   0.7813 -1.721000 1.328000 
1 1 1  -45   15   16 o   5.7510   0.5427   5.1450   0.9408   6.3580   0.5413 -1.213000 1.085000 
1 1 1  -45   15   17 o   7.9320   0.3743   8.1230   0.5976   7.7420   0.4510 0.3810000 0.7487000 
1 1 1  -45   15   18 o   10.690   0.2600   10.850   0.3962   10.530   0.3368 0.3226000 0.5200000 
1 1 1  -45   15   19 o   2.0220   0.6217   2.4780   0.9959   1.5660   0.7444 0.9122000 1.243000 
1 1 1  -45   15   20 o   4.8890   0.6578   4.7880   1.0490   4.9900   0.7946 -0.2017000 1.316000 
1 1 1  -45   15   21 o   5.1450   0.6420   4.5970   1.0870   5.6920   0.6828 -1.095000 1.284000 
1 1 1  -45   15   22 o   6.1120   0.4737   5.8410   0.7077   6.3820   0.6300 -0.5413000 0.9475000 
1 1 1  -45   15   23 o   6.4010   0.4609   6.5200   0.6481   6.2820   0.6555 0.2378000 0.9218000 
1 1 1  -45   15   24 o   4.8800   0.6161   4.6450   0.9282   5.1150   0.8103 -0.4698000 1.232000 
1 1 1  -45   15   25 o   3.6290   0.8984   4.1960   1.2420   3.0630   1.2990 1.133000 1.797000 
1 1 1  -45   17    1 f   5.0050   0.5363   5.4980   0.7193   4.5120   0.7956 0.9861000 1.073000 
1 1 1  -45   17    2 o   4.7770   0.5887   4.8840   0.9079   4.6690   0.7496 0.2155000 1.177000 
1 1 1  -45   17    3 o   3.6670   0.6890   4.1180   0.9857   3.2160   0.9631 0.9025000 1.378000 
1 1 1  -45   17    4 o   3.0000   0.7184   3.1050   1.0440   2.8950   0.9878 0.2094000 1.437000 
1 1 1  -45   17    5 o   8.7270   0.3025   8.6060   0.4305   8.8470   0.4252 -0.2406000 0.6051000 
1 1 1  -45   17    6 o   6.4470   0.3928   6.3530   0.5861   6.5410   0.5230 -0.1873000 0.7855000 
1 1 1  -45   17    7 o   3.0840   0.6666   3.7430   0.9458   2.4260   0.9396 1.317000 1.333000 
1 1 1  -45   17    8 o   9.4790   0.3248   9.2750   0.5262   9.6820   0.3811 -0.4064000 0.6497000 
1 1 1  -45   17    9 o   2.5550   0.6699   2.0700   0.9448   3.0400   0.9501 -0.9699000 1.340000 
1 1 1  -45   17   10 o   7.4890   0.3912   7.3510   0.6344   7.6280   0.4580 -0.2774000 0.7825000 
1 1 1  -45   17   11 o   12.130   0.2416   11.860   0.3818   12.410   0.2963 -0.5546000 0.4833000 
1 1 1  -45   17   12 f   6.2650   0.4122   6.3680   0.6416   6.1620   0.5176 0.2065000 0.8244000 
1 1 1  -45   17   13 o   9.5890   0.2886   9.7100   0.4446   9.4680   0.3680 0.2422000 0.5772000 
1 1 1  -45   17   14 o   14.010   0.2289   13.920   0.3490   14.100   0.2962 -0.1739000 0.4577000 
1 1 1  -45   17   15 o   3.0950   0.6517   2.2950   0.9654   3.8960   0.8756 -1.602000 1.303000 
1 1 1  -45   17   16 o   6.8110   0.4012   6.1210   0.6509   7.5000   0.4690 -1.379000 0.8023000 
1 1 1  -45   17   17 o   7.3870   0.4505   7.7400   0.6822   7.0340   0.5884 0.7067000 0.9009000 
1 1 1  -45   17   18 o   9.7350   0.3647   9.5200   0.5755   9.9490   0.4481 -0.4292000 0.7294000 
1 1 1  -45   17   19 o   5.3260   0.5215   5.3060   0.7983   5.3460   0.6714 -0.4000000E-01 1.043000 
1 1 1  -45   17   20 o   2.8020   0.7184   2.8850   1.0540   2.7180   0.9762 0.1678000 1.437000 
1 1 1  -45   17   21 o   2.6140   0.7156   2.6680   1.0490   2.5590   0.9734 0.1094000 1.431000 
1 1 1  -45   17   22 o   3.1620   0.7958   3.2040   1.1700   3.1210   1.0790 0.8302000E-01 1.592000 
1 1 1  -45   17   23 o   2.1920   0.6814   2.1210   0.9494   2.2630   0.9777 -0.1417000 1.363000 
1 1 1  -45   19    1 o   6.3050   0.4502   6.0080   0.6959   6.6020   0.5714 -0.5939000 0.9005000 
1 1 1  -45   19    2 o   2.6200   0.7246   3.4620   1.1920   1.7780   0.8246 1.684000 1.449000 
1 1 1  -45   19    3 o   2.5430   0.7557   2.2670   1.0520   2.8190   1.0850 -0.5521000 1.511000 
1 1 1  -45   19    4 o   2.0340   0.6834   2.4690   1.1190   1.5990   0.7847 0.8702000 1.367000 
1 1 1  -45   19    5 o   3.3460   0.7436   2.5170   1.0590   4.1740   1.0440 -1.657000 1.487000 
1 1 1  -45   19    6 o   3.1470   0.7212   3.8590   1.0210   2.4350   1.0190 1.424000 1.442000 
1 1 1  -45   19    7 o   10.520   0.2914   11.120   0.3502   9.9220   0.4660 1.199000 0.5829000 
1 1 1  -45   19    8 o   6.7510   0.4454   6.8770   0.6181   6.6250   0.6414 0.2525000 0.8907000 
1 1 1  -45   19    9 o   3.1330   0.7540   2.7300   1.0510   3.5360   1.0810 -0.8067000 1.508000 
1 1 1  -45   19   10 o   5.6170   0.5431   5.6320   0.7582   5.6020   0.7778 0.2993000E-01 1.086000 
1 1 1  -45   19   11 o   11.690   0.3458   11.190   0.5665   12.190   0.3966 -1.007000 0.6915000 
1 1 1  -45   19   12 o   2.8220   0.7786   2.5670   1.1240   3.0770   1.0770 -0.5099000 1.557000 
1 1 1  -45   19   13 o   13.040   0.3211   13.060   0.5085   13.010   0.3923 0.4801000E-01 0.6423000 
1 1 1  -45   19   14 o   3.6130   0.7168   2.9000   1.1700   4.3270   0.8284 -1.427000 1.434000 
1 1 1  -45   19   15 o   9.5310   0.3145   9.2200   0.4914   9.8410   0.3926 -0.6207000 0.6289000 
1 1 1  -45   19   16 o   6.8990   0.4258   6.0830   0.7041   7.7150   0.4789 -1.632000 0.8516000 
1 1 1  -45   19   17 o   4.2950   0.6492   4.9560   0.8725   3.6330   0.9617 1.324000 1.298000 
1 1 1  -45   19   18 o   3.3320   0.7167   2.9450   1.0800   3.7200   0.9430 -0.7757000 1.433000 
1 1 1  -45   19   19 o   2.1880   0.6704   2.2680   0.9827   2.1070   0.9121 0.1609000 1.341000 
1 1 1  -45   19   20 o   3.5170   0.7323   3.7510   1.0580   3.2830   1.0130 0.4680000 1.465000 
1 1 1  -45   19   21 o   2.5730   1.2220   2.5730   1.2220  ?   ?       ?      ? 
1 1 1  -45   21    1 o   5.1960   0.5758   5.1120   0.8877   5.2800   0.7337 -0.1685000 1.152000 
1 1 1  -45   21    2 o   4.6330   0.6400   4.1780   1.0200   5.0880   0.7728 -0.9099000 1.280000 
1 1 1  -45   21    3 o   5.2920   0.5549   5.4440   0.8193   5.1390   0.7487 0.3048000 1.110000 
1 1 1  -45   21    4 o   6.1870   0.5020   6.1110   0.8017   6.2640   0.6042 -0.1535000 1.004000 
1 1 1  -45   21    5 o   2.3790   0.6989   2.1250   0.9770   2.6320   0.9998 -0.5069000 1.398000 
1 1 1  -45   21    6 o   3.7670   0.6622   2.6680   1.0620   4.8660   0.7913 -2.198000 1.324000 
1 1 1  -45   21    7 o   5.1180   0.5211   5.4720   0.7048   4.7640   0.7679 0.7082000 1.042000 
1 1 1  -45   21    8 o   2.7520   0.7313   2.7620   1.0780   2.7430   0.9888 0.1961000E-01 1.463000 
1 1 1  -45   21    9 o   2.7380   0.7210   3.2220   1.0940   2.2540   0.9390 0.9676000 1.442000 
1 1 1  -45   21   10 o   2.8800   0.6901   3.7930   1.0640   1.9680   0.8787 1.825000 1.380000 
1 1 1  -45   21   11 o   2.8600   0.7161   2.4330   1.0280   3.2870   0.9974 -0.8544000 1.432000 
1 1 1  -45   21   12 o   2.2690   0.6879   2.5660   1.0560   1.9710   0.8813 0.5954000 1.376000 
1 1 1  -45   21   13 o   9.9650   0.3200   9.7570   0.4995   10.170   0.4001 -0.4167000 0.6399000 
1 1 1  -45   21   14 o   8.1320   0.3763   7.8300   0.5953   8.4330   0.4605 -0.6029000 0.7527000 
1 1 1  -45   21   15 o   2.0290   0.6455   2.3100   0.9981   1.7470   0.8188 0.5631000 1.291000 
1 1 1  -45   21   16 o   3.7640   0.7251   4.2550   1.0280   3.2720   1.0220 0.9826000 1.450000 
1 1 1  -45   21   17 o   3.0000   0.6879   3.9670   1.0340   2.0340   0.9074 1.933000 1.376000 
1 1 1  -45   21   18 o   4.1750   1.5170   4.1750   1.5170  ?   ?       ?      ? 
1 1 1  -45   23    1 o   3.6480   0.8063   3.3000   1.1960   3.9960   1.0820 -0.6964000 1.613000 
1 1 1  -45   23    2 f   2.1570   0.7285   2.4690   1.1470   1.8460   0.8982 0.6229000 1.457000 
1 1 1  -45   23    3 o   3.4100   0.9266   3.8260   1.4130   2.9950   1.2000 0.8309000 1.853000 
1 1 1  -45   23    4 o   2.1460   0.7166   2.2620   1.0850   2.0300   0.9369 0.2313000 1.433000 
1 1 1  -45   23    5 f   2.4950   0.7657   2.3140   1.0870   2.6770   1.0790 -0.3628000 1.531000 
1 1 1  -45   23    6 o   2.5500   0.8287   3.3050   1.4160   1.7950   0.8613 1.510000 1.657000 
1 1 1  -45   23    7 o   3.4290   0.8365   3.2660   1.2400   3.5910   1.1230 -0.3252000 1.673000 
1 1 1  -45   23    8 o   2.6230   0.7400   2.1290   0.9740   3.1170   1.1140 -0.9872000 1.480000 
1 1 1  -45   23    9 o   4.5130   0.7372   4.9670   0.9937   4.0590   1.0890 0.9081000 1.474000 
1 1 1  -45   23   10 o   4.0080   0.8003   5.1460   1.0800   2.8700   1.1810 2.275000 1.601000 
1 1 1  -45   23   11 o   2.9070   0.8296   3.0710   1.1950   2.7440   1.1510 0.3274000 1.659000 
1 1 1  -45   23   12 o   5.1890   0.7788   4.7650   1.1700   5.6130   1.0280 -0.8479000 1.558000 
1 1 1  -45   23   13 o   6.8690   0.5992   7.5110   0.7649   6.2270   0.9225 1.283000 1.198000 
1 1 1  -44    0    1 o   30.580   0.2826   30.580   0.2826   30.580   0.2826 -0.000000 0.000000 
1 1 1  -44    0    2 o   15.410   0.2149   15.410   0.2149   15.410   0.2149 -0.000000 0.000000 
1 1 1  -44    0    3 o   13.960   0.2418   13.960   0.2418   13.960   0.2418 -0.000000 0.000000 
1 1 1  -44    0    4 o   1.8790   1.0330   1.8790   1.0330   1.8790   1.0330 -0.000000 0.000000 
1 1 1  -44    0    5 o   14.930   0.2179   14.930   0.2179   14.930   0.2179 -0.000000 0.000000 
1 1 1  -44    0    7 o   21.730   0.2379   21.730   0.2379   21.730   0.2379 -0.000000 0.000000 
1 1 1  -44    0    8 o   25.610   0.2739   25.610   0.2739   25.610   0.2739 -0.000000 0.000000 
1 1 1  -44    0    9 o   4.2610   0.4097   4.2610   0.4097   4.2610   0.4097 -0.000000 0.000000 
1 1 1  -44    0   10 o   8.4920   0.1948   8.4920   0.1948   8.4920   0.1948 -0.000000 0.000000 
1 1 1  -44    0   11 o   3.4420   0.7131   3.4420   0.7131   3.4420   0.7131 -0.000000 0.000000 
1 1 1  -44    0   12 o   26.210   0.2396   26.210   0.2396   26.210   0.2396 -0.000000 0.000000 
1 1 1  -44    0   13 o   8.1800   0.2322   8.1800   0.2322   8.1800   0.2322 -0.000000 0.000000 
1 1 1  -44    0   14 o   17.980   0.1835   17.980   0.1835   17.980   0.1835 -0.000000 0.000000 
1 1 1  -44    0   15 o   1.2220   0.7637   1.2220   0.7637   1.2220   0.7637 -0.000000 0.000000 
1 1 1  -44    0   16 o   6.0510   0.4905   6.0510   0.4905   6.0510   0.4905 -0.000000 0.000000 
1 1 1  -44    0   17 o   22.000   0.2050   22.000   0.2050   22.000   0.2050 -0.000000 0.000000 
1 1 1  -44    0   18 o   5.4530   0.4060   5.4530   0.4060   5.4530   0.4060 -0.000000 0.000000 
1 1 1  -44    0   19 f   7.7950   0.3176   7.7950   0.3176   7.7950   0.3176 -0.000000 0.000000 
1 1 1  -44    0   20 o   15.840   0.2171   15.840   0.2171   15.840   0.2171 -0.000000 0.000000 
1 1 1  -44    0   21 o   12.350   0.2479   12.350   0.2479   12.350   0.2479 -0.000000 0.000000 
1 1 1  -44    0   22 o   5.7230   0.4624   5.7230   0.4624   5.7230   0.4624 -0.000000 0.000000 
1 1 1  -44    0   23 o   8.6070   0.3337   8.6070   0.3337   8.6070   0.3337 -0.000000 0.000000 
1 1 1  -44    0   24 o   6.7810   0.6210   6.7810   0.6210   6.7810   0.6210 -0.000000 0.000000 
1 1 1  -44    0   25 o   3.0900   1.0540   3.0900   1.0540   3.0900   1.0540 -0.000000 0.000000 
1 1 1  -44    0   26 o   1.6980   1.0040   1.6980   1.0040   1.6980   1.0040 -0.000000 0.000000 
1 1 1  -44    0   27 o   2.6870   1.1440   2.6870   1.1440   2.6870   1.1440 -0.000000 0.000000 
1 1 1  -44    0   28 o   2.7650   1.1500   2.7650   1.1500   2.7650   1.1500 -0.000000 0.000000 
1 1 1  -44    0   29 o   1.5610   1.0860   1.5610   1.0860   1.5610   1.0860 -0.000000 0.000000 
1 1 1  -44    0   30 o   15.770   0.3348   15.770   0.3348   15.770   0.3348 -0.000000 0.000000 
1 1 1  -44    2    1 o   22.810   0.2422  ?   ?    22.810   0.2422      ?      ? 
1 1 1  -44    2    2 o   10.330   0.1941   10.210   0.3053   10.450   0.2399 -0.2446000 0.3883000 
1 1 1  -44    2    3 o   16.820   0.1618   16.960   0.2463   16.670   0.2098 0.2905000 0.3235000 
1 1 1  -44    2    4 o   13.450   0.1375   13.600   0.2213   13.290   0.1631 0.3114000 0.2749000 
1 1 1  -44    2    5 o   13.130   0.2404   13.540   0.3938   12.720   0.2760 0.8114000 0.4809000 
1 1 1  -44    2    6 o   17.790   0.3656   17.790   0.3656  ?   ?       ?      ? 
1 1 1  -44    2    7 o   27.520   0.2697   27.700   0.4410   27.340   0.3104 0.3538000 0.5393000 
1 1 1  -44    2    8 f   7.7150   0.3010   8.0800   0.4799   7.3500   0.3633 0.7306000 0.6019000 
1 1 1  -44    2    9 o   9.7340   0.2071   9.7530   0.2906   9.7150   0.2951 0.3895000E-01 0.4142000 
1 1 1  -44    2   10 o   18.780   0.1808   18.960   0.2551   18.600   0.2563 0.3519000 0.3616000 
1 1 1  -44    2   11 o   17.530   0.1372   17.930   0.1963   17.130   0.1919 0.8022000 0.2745000 
1 1 1  -44    2   12 o   14.300   0.1312   14.240   0.1706   14.370   0.1995 -0.1318000 0.2624000 
1 1 1  -44    2   13 o   16.710   0.1472   16.720   0.2089   16.710   0.2074 0.5802000E-02 0.2944000 
1 1 1  -44    2   14 o   7.1910   0.2071   7.1190   0.2826   7.2630   0.3029 -0.1441000 0.4142000 
1 1 1  -44    2   15 o   18.980   0.1709   19.160   0.2210   18.800   0.2607 0.3570000 0.3418000 
1 1 1  -44    2   16 o   10.190   0.1756   10.330   0.2331   10.050   0.2628 0.2868000 0.3513000 
1 1 1  -44    2   17 o   15.260   0.1881   15.420   0.2325   15.100   0.2957 0.3237000 0.3762000 
1 1 1  -44    2   18 o   23.210   0.1653   23.170   0.2153   23.260   0.2508 -0.8769000E-01 0.3305000 
1 1 1  -44    2   19 o   16.050   0.1637   15.650   0.2153   16.450   0.2468 -0.8044000 0.3275000 
1 1 1  -44    2   20 o   13.460   0.1778   13.810   0.2314   13.100   0.2699 0.7089000 0.3555000 
1 1 1  -44    2   21 o   2.2760   0.6060   2.1800   0.8302   2.3710   0.8830 -0.1904000 1.212000 
1 1 1  -44    2   22 o   7.1330   0.2896   6.5750   0.4099   7.6920   0.4092 -1.117000 0.5792000 
1 1 1  -44    2   23 o   12.810   0.1964   12.950   0.2574   12.670   0.2967 0.2869000 0.3928000 
1 1 1  -44    2   24 o   9.4900   0.2957   9.7300   0.3632   9.2500   0.4666 0.4801000 0.5913000 
1 1 1  -44    2   25 o   20.060   0.1989   20.140   0.2842   19.980   0.2784 0.1598000 0.3978000 
1 1 1  -44    2   26 f   6.4900   0.3541   6.5040   0.4739   6.4760   0.5261 0.2843000E-01 0.7081000 
1 1 1  -44    2   27 o   9.7430   0.2685   9.5650   0.3667   9.9210   0.3924 -0.3560000 0.5371000 
1 1 1  -44    2   28 o   4.2760   0.6387   5.7760   0.7128   2.7760   1.0600 2.999000 1.277000 
1 1 1  -44    2   29 o   5.5500   0.5987   6.0970   0.6413   5.0030   1.0110 1.094000 1.197000 
1 1 1  -44    2   30 o   6.5940   0.4137   6.3720   0.5708   6.8160   0.5989 -0.4444000 0.8273000 
1 1 1  -44    4    1 o   11.410   0.2033   11.230   0.3255   11.580   0.2437 -0.3519000 0.4066000 
1 1 1  -44    4    2 o   16.910   0.1761   16.790   0.2753   17.020   0.2198 -0.2298000 0.3523000 
1 1 1  -44    4    3 o   11.990   0.1701   12.060   0.2648   11.910   0.2134 0.1524000 0.3401000 
1 1 1  -44    4    4 f   20.540   0.1614   20.260   0.2622   20.830   0.1884 -0.5744000 0.3229000 
1 1 1  -44    4    5 o   24.140   0.2721   23.870   0.4434   24.410   0.3155 -0.5392000 0.5442000 
1 1 1  -44    4    6 o   6.2610   0.4950   6.3260   0.7932   6.1960   0.5924 0.1299000 0.9900000 
1 1 1  -44    4    7 o   6.4970   0.4561   6.3900   0.7398   6.6050   0.5338 -0.2152000 0.9122000 
1 1 1  -44    4    8 o   8.1230   0.3037   8.4020   0.4119   7.8430   0.4463 0.5597000 0.6073000 
1 1 1  -44    4    9 o   10.810   0.2369   10.640   0.3292   10.980   0.3407 -0.3428000 0.4738000 
1 1 1  -44    4   10 o   12.770   0.3003   12.770   0.3003  ?   ?       ?      ? 
1 1 1  -44    4   11 o   20.340   0.1670   20.430   0.2837   20.250   0.1764 0.1795000 0.3341000 
1 1 1  -44    4   12 o   24.420   0.1808   24.720   0.2310   24.110   0.2783 0.6175000 0.3616000 
1 1 1  -44    4   13 o   12.940   0.1804   13.790   0.2590   12.080   0.2510 1.707000 0.3607000 
1 1 1  -44    4   14 o   21.660   0.1535   21.730   0.2028   21.600   0.2306 0.1312000 0.3071000 
1 1 1  -44    4   15 o   10.540   0.1764   10.820   0.2363   10.250   0.2619 0.5674000 0.3528000 
1 1 1  -44    4   16 o   13.720   0.1749   13.560   0.2486   13.890   0.2460 -0.3287000 0.3498000 
1 1 1  -44    4   17 o   21.630   0.2003   21.670   0.2489   21.590   0.3140 0.8247000E-01 0.4007000 
1 1 1  -44    4   18 o   6.2450   0.2975   6.5600   0.3796   5.9310   0.4581 0.6295000 0.5950000 
1 1 1  -44    4   19 o   8.5410   0.2328   8.5900   0.3092   8.4910   0.3482 0.9927000E-01 0.4656000 
1 1 1  -44    4   20 o   8.5020   0.2423   8.5570   0.3215   8.4470   0.3627 0.1104000 0.4847000 
1 1 1  -44    4   21 o   3.8640   0.5237   3.4590   0.7727   4.2680   0.7073 -0.8089000 1.047000 
1 1 1  -44    4   22 o   13.520   0.1932   13.790   0.2559   13.250   0.2896 0.5412000 0.3864000 
1 1 1  -44    4   23 o   7.8550   0.3425   8.1840   0.4227   7.5270   0.5389 0.6571000 0.6849000 
1 1 1  -44    4   24 o   27.990   0.1974   27.900   0.2598   28.090   0.2973 -0.1913000 0.3948000 
1 1 1  -44    4   25 o   11.580   0.2410   11.730   0.3443   11.420   0.3373 0.3170000 0.4820000 
1 1 1  -44    4   26 o   21.910   0.1907   21.820   0.2518   22.000   0.2864 -0.1797000 0.3813000 
1 1 1  -44    4   27 o   4.0280   0.6917   4.4300   0.9072   3.6250   1.0450 0.8049000 1.383000 
1 1 1  -44    4   28 o   3.9740   0.6495   3.0840   0.9637   4.8640   0.8709 -1.780000 1.299000 
1 1 1  -44    4   29 o   2.2650   0.6981   2.2960   0.9639   2.2350   1.0100 0.6103000E-01 1.396000 
1 1 1  -44    4   30 f   1.6010   0.5430   1.6430   0.7788   1.5580   0.7570 0.8440000E-01 1.086000 
1 1 1  -44    6    1 o   17.730   0.1588   17.610   0.2331   17.850   0.2156 -0.2463000 0.3175000 
1 1 1  -44    6    2 o   17.460   0.1540   17.620   0.2239   17.300   0.2115 0.3197000 0.3080000 
1 1 1  -44    6    3 f   14.840   0.1896   14.490   0.2827   15.200   0.2527 -0.7111000 0.3792000 
1 1 1  -44    6    4 o   17.210   0.1374   17.460   0.2017   16.960   0.1865 0.5079000 0.2747000 
1 1 1  -44    6    5 o   15.120   0.2598   15.050   0.4888   15.200   0.1760 -0.1508000 0.5195000 
1 1 1  -44    6    6 o   16.520   0.2853   16.320   0.4661   16.720   0.3292 -0.4019000 0.5706000 
1 1 1  -44    6    7 o   10.670   0.3828   10.570   0.5645   10.770   0.5171 -0.2049000 0.7655000 
1 1 1  -44    6    8 f   10.600   0.2779   10.970   0.3696   10.240   0.4152 0.7334000 0.5558000 
1 1 1  -44    6    9 o   14.700   0.2316   14.480   0.3289   14.930   0.3262 -0.4509000 0.4632000 
1 1 1  -44    6   10 o   5.6640   0.3276   5.9810   0.6107   5.3470   0.2374 0.6342000 0.6553000 
1 1 1  -44    6   11 o   11.190   0.1263   10.890   0.1818   11.490   0.1755 -0.5984000 0.2527000 
1 1 1  -44    6   12 o   13.440   0.1570   13.710   0.2220   13.170   0.2222 0.5319000 0.3140000 
1 1 1  -44    6   13 o   13.810   0.1626   14.280   0.1962   13.340   0.2593 0.9410000 0.3251000 
1 1 1  -44    6   14 o   7.6660   0.2224   7.5900   0.3036   7.7420   0.3251 -0.1515000 0.4448000 
1 1 1  -44    6   15 o   8.1950   0.2217   8.1140   0.2979   8.2770   0.3284 -0.1630000 0.4434000 
1 1 1  -44    6   16 o   10.270   0.1953   10.460   0.2568   10.070   0.2944 0.3961000 0.3907000 
1 1 1  -44    6   17 o   7.1290   0.3585   7.5460   0.4145   6.7120   0.5851 0.8334000 0.7170000 
1 1 1  -44    6   18 o   2.8830   0.6050   2.7490   0.8482   3.0170   0.8629 -0.2678000 1.210000 
1 1 1  -44    6   19 o   8.0650   0.2556   7.5650   0.3600   8.5640   0.3630 -0.9985000 0.5113000 
1 1 1  -44    6   20 o   7.7860   0.2664   7.6690   0.3600   7.9030   0.3928 -0.2340000 0.5328000 
1 1 1  -44    6   21 o   6.2770   0.4083   6.8590   0.4602   5.6950   0.6745 1.164000 0.8166000 
1 1 1  -44    6   22 o   1.6150   0.5296   1.5730   0.7308   1.6570   0.7666 -0.8407000E-01 1.059000 
1 1 1  -44    6   23 o   10.430   0.2322   10.080   0.3216   10.780   0.3352 -0.6966000 0.4645000 
1 1 1  -44    6   24 o   8.7660   0.2671   8.9110   0.3617   8.6220   0.3931 0.2894000 0.5342000 
1 1 1  -44    6   25 o   9.9200   0.2707   10.400   0.3794   9.4400   0.3863 0.9609000 0.5414000 
1 1 1  -44    6   26 o   3.1150   0.6868   3.8860   0.9686   2.3450   0.9740 1.540000 1.374000 
1 1 1  -44    6   27 o   12.010   0.2385   12.000   0.3234   12.010   0.3508 -0.1045000E-01 0.4771000 
1 1 1  -44    6   28 o   6.8360   0.3761   7.2570   0.4784   6.4150   0.5805 0.8420000 0.7522000 
1 1 1  -44    6   29 o   9.4140   0.3560   9.7290   0.4355   9.0990   0.5632 0.6300000 0.7120000 
1 1 1  -44    6   30 o   3.2590   1.3720   3.2590   1.3720  ?   ?       ?      ? 
1 1 1  -44    8    1 f   11.430   0.1977   11.320   0.2886   11.550   0.2703 -0.2262000 0.3954000 
1 1 1  -44    8    2 o   9.6980   0.2053   9.8020   0.3021   9.5940   0.2779 0.2086000 0.4105000 
1 1 1  -44    8    3 o   5.9800   0.3067   5.8770   0.4431   6.0830   0.4243 -0.2056000 0.6135000 
1 1 1  -44    8    4 o   16.840   0.1528   17.200   0.2262   16.480   0.2056 0.7262000 0.3057000 
1 1 1  -44    8    5 o   18.190   0.1755   18.450   0.2875   17.930   0.2014 0.5236000 0.3510000 
1 1 1  -44    8    6 o   6.3470   0.6152   5.7280   1.1550   6.9660   0.4253 -1.238000 1.230000 
1 1 1  -44    8    7 o   3.8940   0.6281   3.7230   1.0410   4.0640   0.7030 -0.3420000 1.256000 
1 1 1  -44    8    8 o   15.060   0.2111   15.230   0.3400   14.890   0.2503 0.3365000 0.4222000 
1 1 1  -44    8    9 o   18.090   0.2074   18.370   0.3380   17.810   0.2405 0.5557000 0.4148000 
1 1 1  -44    8   10 o   8.4030   0.3104   8.3020   0.5244   8.5030   0.3323 -0.2008000 0.6208000 
1 1 1  -44    8   11 o   13.980   0.1598   14.010   0.2490   13.950   0.2003 0.6014000E-01 0.3196000 
1 1 1  -44    8   12 o   10.240   0.1930   10.180   0.3046   10.290   0.2372 -0.1120000 0.3861000 
1 1 1  -44    8   13 o   11.850   0.1614   11.780   0.2318   11.930   0.2247 -0.1464000 0.3228000 
1 1 1  -44    8   14 o   16.420   0.1635   16.290   0.2122   16.540   0.2487 -0.2452000 0.3269000 
1 1 1  -44    8   15 o   11.820   0.1844   11.710   0.2427   11.930   0.2775 -0.2255000 0.3687000 
1 1 1  -44    8   16 o   8.5780   0.3074   8.7450   0.3743   8.4100   0.4877 0.3346000 0.6148000 
1 1 1  -44    8   17 o   2.6900   0.5953   3.0210   0.8004   2.3580   0.8813 0.6628000 1.191000 
1 1 1  -44    8   18 o   9.3770   0.2306   9.6090   0.2948   9.1450   0.3546 0.4646000 0.4612000 
1 1 1  -44    8   19 o   5.8590   0.4472   6.5230   0.4711   5.1960   0.7602 1.327000 0.8943000 
1 1 1  -44    8   20 o   10.700   0.2624   10.430   0.3354   10.970   0.4036 -0.5361000 0.5248000 
1 1 1  -44    8   21 o   16.370   0.1873   16.320   0.2531   16.430   0.2762 -0.1146000 0.3746000 
1 1 1  -44    8   22 o   8.4830   0.2769   8.5140   0.3850   8.4510   0.3980 0.6281000E-01 0.5538000 
1 1 1  -44    8   23 o   11.040   0.2350   11.230   0.3178   10.840   0.3463 0.3908000 0.4700000 
1 1 1  -44    8   24 o   4.4330   0.5708   4.4920   0.8169   4.3730   0.7973 0.1190000 1.142000 
1 1 1  -44    8   25 o   13.480   0.2509   13.340   0.3407   13.620   0.3684 -0.2802000 0.5018000 
1 1 1  -44    8   26 o   3.0380   0.6820   3.3540   0.9302   2.7220   0.9976 0.6314000 1.364000 
1 1 1  -44    8   27 o   4.8690   0.5344   5.3500   0.6455   4.3890   0.8519 0.9606000 1.069000 
1 1 1  -44    8   28 o   7.3020   0.3649   7.5050   0.4805   7.0990   0.5493 0.4061000 0.7298000 
1 1 1  -44    8   29 o   7.1190   0.4701   7.2020   0.5826   7.0350   0.7379 0.1667000 0.9401000 
1 1 1  -44   10    1 o   10.450   0.3061   10.780   0.4968   10.120   0.3578 0.6586000 0.6123000 
1 1 1  -44   10    2 o   14.860   0.2285   14.690   0.3557   15.020   0.2868 -0.3329000 0.4570000 
1 1 1  -44   10    3 o   14.140   0.1771   14.080   0.2655   14.190   0.2345 -0.1107000 0.3542000 
1 1 1  -44   10    4 o   3.6740   0.5258   3.3510   0.8322   3.9960   0.6428 -0.6449000 1.052000 
1 1 1  -44   10    5 o   15.100   0.1670   15.160   0.2497   15.040   0.2219 0.1254000 0.3340000 
1 1 1  -44   10    6 o   11.350   0.1954   11.500   0.3024   11.200   0.2476 0.2923000 0.3908000 
1 1 1  -44   10    7 o   5.9340   0.3310   5.4410   0.5469   6.4260   0.3730 -0.9853000 0.6620000 
1 1 1  -44   10    8 o   11.990   0.1915   11.840   0.3008   12.130   0.2370 -0.2876000 0.3829000 
1 1 1  -44   10    9 o   10.010   0.2127   10.060   0.3291   9.9600   0.2694 0.1013000 0.4253000 
1 1 1  -44   10   10 o   22.740   0.1768   22.830   0.2719   22.640   0.2260 0.1900000 0.3536000 
1 1 1  -44   10   11 o   6.3810   0.3080   6.5070   0.4732   6.2550   0.3945 0.2519000 0.6161000 
1 1 1  -44   10   12 o   13.840   0.1831   13.770   0.2857   13.920   0.2289 -0.1553000 0.3661000 
1 1 1  -44   10   13 f   11.220   0.2030   11.290   0.3153   11.150   0.2556 0.1402000 0.4059000 
1 1 1  -44   10   14 o   10.710   0.2265   10.690   0.3256   10.720   0.3150 -0.2745000E-01 0.4531000 
1 1 1  -44   10   15 o   20.280   0.1734   20.240   0.2672   20.310   0.2210 -0.6759000E-01 0.3467000 
1 1 1  -44   10   16 o   12.980   0.2566   13.030   0.3618   12.930   0.3639 0.9907000E-01 0.5131000 
1 1 1  -44   10   17 o   14.130   0.2529   14.320   0.3563   13.950   0.3589 0.3740000 0.5057000 
1 1 1  -44   10   18 o   12.220   0.2113   12.700   0.2684   11.740   0.3265 0.9615000 0.4227000 
1 1 1  -44   10   19 o   6.2690   0.3515   6.0410   0.4879   6.4970   0.5060 -0.4556000 0.7029000 
1 1 1  -44   10   20 o   2.5930   0.6389   2.9300   0.8950   2.2560   0.9121 0.6745000 1.278000 
1 1 1  -44   10   21 o   8.8440   0.2766   9.0190   0.3570   8.6690   0.4226 0.3499000 0.5532000 
1 1 1  -44   10   22 o   10.270   0.2508   10.240   0.3374   10.300   0.3710 -0.6169000E-01 0.5015000 
1 1 1  -44   10   23 o   13.830   0.2448   13.730   0.3387   13.930   0.3534 -0.1962000 0.4895000 
1 1 1  -44   10   24 o   10.650   0.2826   10.210   0.3940   11.080   0.4051 -0.8728000 0.5651000 
1 1 1  -44   10   25 o   6.0610   0.4234   5.7780   0.6044   6.3440   0.5931 -0.5660000 0.8469000 
1 1 1  -44   10   26 o   11.720   0.2541   11.680   0.3485   11.760   0.3698 -0.7300000E-01 0.5082000 
1 1 1  -44   10   27 o   6.6750   0.4053   6.3900   0.5822   6.9600   0.5641 -0.5697000 0.8106000 
1 1 1  -44   10   28 o   5.9660   0.5943   6.9250   0.6235   5.0060   1.0120 1.918000 1.189000 
1 1 1  -44   12    1 o   18.420   0.2053   18.390   0.3077   18.460   0.2718 -0.7479000E-01 0.4106000 
1 1 1  -44   12    2 o   7.7040   0.3168   7.2120   0.4886   8.1970   0.4035 -0.9848000 0.6336000 
1 1 1  -44   12    3 o   11.160   0.2346   11.380   0.3491   10.930   0.3134 0.4424000 0.4691000 
1 1 1  -44   12    4 o   21.280   0.2426   21.210   0.4222   21.360   0.2390 -0.1511000 0.4852000 
1 1 1  -44   12    5 o   7.8530   0.3396   7.6000   0.5381   8.1060   0.4146 -0.5066000 0.6793000 
1 1 1  -44   12    6 o   2.0500   0.6133   1.9150   0.8464   2.1850   0.8879 -0.2694000 1.227000 
1 1 1  -44   12    7 o   11.940   0.2251   11.850   0.3257   12.030   0.3109 -0.1847000 0.4503000 
1 1 1  -44   12    8 o   5.5550   0.4136   5.7030   0.5885   5.4070   0.5813 0.2954000 0.8272000 
1 1 1  -44   12    9 o   5.4030   0.4330   4.9130   0.6745   5.8930   0.5430 -0.9797000 0.8659000 
1 1 1  -44   12   10 o   13.470   0.2273   13.390   0.3462   13.550   0.2945 -0.1607000 0.4545000 
1 1 1  -44   12   11 o   13.280   0.2452   13.140   0.3534   13.410   0.3399 -0.2687000 0.4903000 
1 1 1  -44   12   12 o   14.260   0.2211   14.350   0.3418   14.170   0.2805 0.1798000 0.4422000 
1 1 1  -44   12   13 o   9.9050   0.2732   10.380   0.4184   9.4340   0.3513 0.9419000 0.5464000 
1 1 1  -44   12   14 f   9.5270   0.2514   9.3200   0.3957   9.7340   0.3101 -0.4142000 0.5027000 
1 1 1  -44   12   15 o   5.1370   0.4290   5.2380   0.6618   5.0360   0.5461 0.2021000 0.8581000 
1 1 1  -44   12   16 o   11.070   0.2285   11.020   0.3582   11.120   0.2838 -0.1005000 0.4570000 
1 1 1  -44   12   17 o   8.9680   0.2963   8.6880   0.4466   9.2480   0.3895 -0.5600000 0.5926000 
1 1 1  -44   12   18 o   15.460   0.2157   15.510   0.3157   15.400   0.2939 0.1110000 0.4313000 
1 1 1  -44   12   19 o   9.8390   0.2811   9.9090   0.4065   9.7680   0.3883 0.1408000 0.5622000 
1 1 1  -44   12   20 o   4.9270   0.5313   4.5040   0.8321   5.3490   0.6608 -0.8452000 1.063000 
1 1 1  -44   12   21 o   8.3840   0.3977   8.2670   0.6108   8.5010   0.5097 -0.2346000 0.7955000 
1 1 1  -44   12   22 o   11.670   0.2943   11.210   0.4742   12.130   0.3487 -0.9190000 0.5886000 
1 1 1  -44   12   23 f   15.130   0.2299   14.760   0.3271   15.490   0.3232 -0.7309000 0.4599000 
1 1 1  -44   12   24 o   12.940   0.2351   12.740   0.3156   13.150   0.3485 -0.4111000 0.4701000 
1 1 1  -44   12   25 o   5.9590   0.4488   5.1850   0.6919   6.7330   0.5718 -1.549000 0.8976000 
1 1 1  -44   12   26 o   6.0210   0.4609   5.5350   0.6713   6.5080   0.6318 -0.9727000 0.9218000 
1 1 1  -44   12   27 o   4.5380   0.7205   5.1680   0.8272   3.9080   1.1800 1.261000 1.441000 
1 1 1  -44   14    1 o   7.7150   0.3153   7.9570   0.4631   7.4730   0.4281 0.4839000 0.6306000 
1 1 1  -44   14    2 f   6.5630   0.3675   6.0470   0.5873   7.0790   0.4419 -1.033000 0.7350000 
1 1 1  -44   14    3 o   5.1910   0.4587   5.6440   0.6661   4.7380   0.6309 0.9061000 0.9174000 
1 1 1  -44   14    4 o   4.0000   0.5787   5.2230   0.7250   2.7770   0.9021 2.446000 1.157000 
1 1 1  -44   14    5 o   4.6470   0.4900   4.6480   0.7434   4.6470   0.6386 0.1592000E-02 0.9800000 
1 1 1  -44   14    6 o   6.0470   0.3453   6.3990   0.4691   5.6960   0.5069 0.7032000 0.6907000 
1 1 1  -44   14    7 o   9.7140   0.2659   9.4390   0.4261   9.9890   0.3181 -0.5502000 0.5318000 
1 1 1  -44   14    8 o   7.4410   0.3168   7.2820   0.4965   7.6000   0.3936 -0.3176000 0.6336000 
1 1 1  -44   14    9 o   11.460   0.2268   11.260   0.3531   11.660   0.2846 -0.3953000 0.4536000 
1 1 1  -44   14   10 o   6.5300   0.3559   6.4130   0.5557   6.6460   0.4450 -0.2332000 0.7119000 
1 1 1  -44   14   11 o   5.1780   0.4592   5.0480   0.7394   5.3080   0.5449 -0.2591000 0.9185000 
1 1 1  -44   14   12 o   8.4980   0.2921   9.2030   0.4313   7.7920   0.3941 1.412000 0.5842000 
1 1 1  -44   14   13 o   6.7990   0.3554   7.2470   0.5208   6.3520   0.4837 0.8942000 0.7108000 
1 1 1  -44   14   14 o   13.360   0.2153   13.380   0.3337   13.330   0.2723 0.4597000E-01 0.4307000 
1 1 1  -44   14   15 o   2.9840   0.6419   2.3910   0.9760   3.5760   0.8338 -1.185000 1.284000 
1 1 1  -44   14   16 o   11.200   0.2444   11.260   0.3801   11.130   0.3074 0.1306000 0.4889000 
1 1 1  -44   14   17 o   8.2300   0.3558   8.0810   0.6048   8.3800   0.3751 -0.2991000 0.7117000 
1 1 1  -44   14   18 o   19.050   0.2351   19.110   0.3796   18.990   0.2774 0.1217000 0.4702000 
1 1 1  -44   14   19 o   11.590   0.2857   11.200   0.3919   11.980   0.4158 -0.7737000 0.5714000 
1 1 1  -44   14   20 o   15.910   0.2294   15.900   0.3290   15.920   0.3197 -0.1479000E-01 0.4588000 
1 1 1  -44   14   21 o   4.1970   0.7222   4.0500   1.1260   4.3440   0.9045 -0.2946000 1.444000 
1 1 1  -44   14   22 o   9.9180   0.3145   9.6820   0.4593   10.150   0.4297 -0.4724000 0.6290000 
1 1 1  -44   14   23 o   4.2800   0.6717   4.5680   0.9227   3.9920   0.9763 0.5759000 1.343000 
1 1 1  -44   14   24 o   9.5130   0.3338   9.2760   0.4839   9.7490   0.4600 -0.4739000 0.6677000 
1 1 1  -44   14   25 o   2.4890   0.7127   2.1830   0.9572   2.7960   1.0560 -0.6128000 1.425000 
1 1 1  -44   14   26 o   6.2810   0.5700   5.8350   0.7789   6.7270   0.8323 -0.8925000 1.140000 
1 1 1  -44   16    1 o   6.9670   0.3869   7.3870   0.5160   6.5470   0.5766 0.8396000 0.7738000 
1 1 1  -44   16    2 o   4.3540   0.6084   3.8580   0.9485   4.8510   0.7622 -0.9931000 1.217000 
1 1 1  -44   16    3 o   3.4440   0.6612   4.0950   0.9065   2.7920   0.9627 1.303000 1.322000 
1 1 1  -44   16    4 o   3.6680   0.6677   3.5070   1.0350   3.8280   0.8433 -0.3209000 1.335000 
1 1 1  -44   16    5 o   7.2100   0.3546   7.0880   0.5613   7.3330   0.4334 -0.2458000 0.7091000 
1 1 1  -44   16    6 o   12.050   0.2235   12.040   0.3352   12.060   0.2956 -0.1862000E-01 0.4469000 
1 1 1  -44   16    7 o   6.4860   0.3377   6.5130   0.4761   6.4590   0.4791 0.5380000E-01 0.6754000 
1 1 1  -44   16    8 o   8.4650   0.2989   8.8270   0.4471   8.1030   0.3967 0.7245000 0.5977000 
1 1 1  -44   16    9 o   2.9300   0.6309   3.8280   0.9318   2.0320   0.8507 1.795000 1.262000 
1 1 1  -44   16   10 o   4.1030   0.5982   4.1280   0.9097   4.0780   0.7772 0.5034000E-01 1.196000 
1 1 1  -44   16   11 f   2.3610   0.6662   2.7370   1.0290   1.9840   0.8467 0.7531000 1.332000 
1 1 1  -44   16   12 o   8.2240   0.3737   8.3880   0.6043   8.0600   0.4399 0.3285000 0.7474000 
1 1 1  -44   16   13 o   6.3330   0.4711   6.1860   0.7788   6.4810   0.5303 -0.2946000 0.9422000 
1 1 1  -44   16   14 o   14.310   0.2590   14.210   0.4137   14.420   0.3117 -0.2095000 0.5180000 
1 1 1  -44   16   15 o   5.7110   0.4571   5.2470   0.7455   6.1750   0.5291 -0.9285000 0.9142000 
1 1 1  -44   16   16 o   7.9440   0.3362   7.6240   0.5306   8.2630   0.4132 -0.6389000 0.6725000 
1 1 1  -44   16   17 o   2.8520   0.6745   2.3850   0.9786   3.3200   0.9285 -0.9350000 1.349000 
1 1 1  -44   16   18 o   5.0860   0.6314   5.0570   0.9881   5.1140   0.7864 -0.5702000E-01 1.263000 
1 1 1  -44   16   19 o   2.1870   0.6881   2.2430   1.0120   2.1320   0.9324 0.1101000 1.376000 
1 1 1  -44   16   20 o   3.2560   0.7274   3.7920   1.0260   2.7210   1.0310 1.071000 1.455000 
1 1 1  -44   16   21 o   9.2120   0.3325   9.1480   0.4722   9.2760   0.4683 -0.1284000 0.6651000 
1 1 1  -44   16   22 o   4.6580   0.6286   4.7210   0.8856   4.5950   0.8925 0.1258000 1.257000 
1 1 1  -44   16   23 o   7.6020   0.4071   7.0340   0.6161   8.1710   0.5323 -1.137000 0.8142000 
1 1 1  -44   16   24 o   2.0030   0.6562   1.8520   0.8692   2.1540   0.9833 -0.3023000 1.312000 
1 1 1  -44   18    1 o   5.5250   0.6484   5.2450   1.0160   5.8050   0.8058 -0.5605000 1.297000 
1 1 1  -44   18    2 o   2.5810   0.7601   2.5750   1.0910   2.5860   1.0590 -0.1048000E-01 1.520000 
1 1 1  -44   18    3 o   2.1440   0.6057   1.4200   0.7017   2.8680   0.9876 -1.448000 1.211000 
1 1 1  -44   18    4 o   5.3420   0.4877   5.3580   0.7260   5.3250   0.6515 0.3304000E-01 0.9755000 
1 1 1  -44   18    5 o   6.8400   0.4003   6.7420   0.6140   6.9370   0.5139 -0.1946000 0.8007000 
1 1 1  -44   18    6 o   5.0660   0.5519   4.9520   0.8743   5.1790   0.6737 -0.2269000 1.104000 
1 1 1  -44   18    7 o   4.8700   0.5057   4.8660   0.7310   4.8730   0.6989 -0.6678000E-02 1.011000 
1 1 1  -44   18    8 o   6.3560   0.4288   5.6190   0.7119   7.0930   0.4783 -1.474000 0.8576000 
1 1 1  -44   18    9 o   9.1640   0.3007   9.6810   0.4455   8.6470   0.4041 1.034000 0.6015000 
1 1 1  -44   18   10 o   2.9310   0.6672   2.2690   0.9620   3.5940   0.9247 -1.325000 1.334000 
1 1 1  -44   18   11 o   12.800   0.2428   12.490   0.3795   13.100   0.3031 -0.6060000 0.4856000 
1 1 1  -44   18   12 o   7.2510   0.3829   7.0130   0.6114   7.4900   0.4610 -0.4774000 0.7657000 
1 1 1  -44   18   13 o   5.6130   0.4834   5.7240   0.7374   5.5020   0.6253 0.2222000 0.9668000 
1 1 1  -44   18   14 o   7.6990   0.4527   7.5110   0.7127   7.8870   0.5583 -0.3758000 0.9054000 
1 1 1  -44   18   15 o   7.4590   0.4774   7.3600   0.7548   7.5580   0.5847 -0.1986000 0.9548000 
1 1 1  -44   18   16 o   6.3140   0.5454   6.8920   0.7590   5.7360   0.7836 1.156000 1.091000 
1 1 1  -44   18   17 o   5.0360   0.5596   6.0210   0.6781   4.0520   0.8903 1.969000 1.119000 
1 1 1  -44   18   18 o   5.8970   0.4785   6.5920   0.6521   5.2010   0.7004 1.391000 0.9570000 
1 1 1  -44   18   19 o   2.4920   0.7005   2.3980   1.0010   2.5860   0.9805 -0.1878000 1.401000 
1 1 1  -44   18   20 o   5.6880   0.5011   6.2200   0.6955   5.1550   0.7215 1.064000 1.002000 
1 1 1  -44   18   21 o   9.8300   0.3129   9.3630   0.4861   10.300   0.3940 -0.9334000 0.6257000 
1 1 1  -44   18   22 o   7.1460   0.4876   6.7910   0.6447   7.5010   0.7317 -0.7099000 0.9752000 
1 1 1  -44   20    1 o   5.9980   0.4784   5.8440   0.7353   6.1520   0.6121 -0.3080000 0.9567000 
1 1 1  -44   20    2 o   4.9420   0.5752   5.1800   0.8219   4.7030   0.8049 0.4769000 1.150000 
1 1 1  -44   20    3 o   5.9830   0.4802   5.8240   0.7472   6.1420   0.6034 -0.3178000 0.9604000 
1 1 1  -44   20    4 o   6.2210   0.4585   5.8740   0.7177   6.5670   0.5707 -0.6931000 0.9169000 
1 1 1  -44   20    5 o   13.530   0.2320   13.450   0.3292   13.600   0.3269 -0.1482000 0.4639000 
1 1 1  -44   20    6 f   9.8600   0.3114   9.6330   0.4823   10.090   0.3939 -0.4549000 0.6227000 
1 1 1  -44   20    7 o   4.2340   0.6718   5.1760   0.9107   3.2930   0.9878 1.883000 1.344000 
1 1 1  -44   20    8 o   2.1060   0.6713   2.3790   1.0480   1.8330   0.8390 0.5454000 1.343000 
1 1 1  -44   20    9 o   3.4610   0.7251   3.3360   1.0970   3.5860   0.9487 -0.2505000 1.450000 
1 1 1  -44   20   10 o   2.4540   0.7043   2.7460   1.0690   2.1620   0.9179 0.5836000 1.409000 
1 1 1  -44   20   11 o   10.070   0.3063   9.8660   0.4790   10.280   0.3819 -0.4134000 0.6127000 
1 1 1  -44   20   12 o   10.320   0.2986   10.650   0.4539   9.9870   0.3881 0.6594000 0.5972000 
1 1 1  -44   20   13 o   1.6180   0.5482   1.4190   0.7108   1.8160   0.8347 -0.3965000 1.096000 
1 1 1  -44   20   14 f   7.6000   0.3969   6.9130   0.6439   8.2880   0.4645 -1.375000 0.7939000 
1 1 1  -44   20   15 o   2.3410   0.6714   3.0280   1.0910   1.6540   0.7829 1.374000 1.343000 
1 1 1  -44   20   16 o   1.9090   0.6160   1.7370   0.8326   2.0800   0.9082 -0.3431000 1.232000 
1 1 1  -44   20   17 o   5.3740   0.5589   6.0990   0.7122   4.6490   0.8614 1.450000 1.118000 
1 1 1  -44   20   18 f   1.9490   0.6314   2.0930   0.9426   1.8060   0.8404 0.2864000 1.263000 
1 1 1  -44   20   19 o   2.2340   0.6823   2.2360   0.9763   2.2320   0.9533 0.3438000E-02 1.365000 
1 1 1  -44   20   20 o   5.7880   0.6546   5.3970   1.0730   6.1780   0.7497 -0.7816000 1.309000 
1 1 1  -44   22    1 o   3.3330   0.8400   3.2470   1.2510   3.4180   1.1220 -0.1711000 1.680000 
1 1 1  -44   22    2 o   4.5970   0.6612   5.1270   0.9042   4.0670   0.9649 1.060000 1.322000 
1 1 1  -44   22    3 o   5.5780   0.5346   6.0530   0.7424   5.1030   0.7695 0.9503000 1.069000 
1 1 1  -44   22    4 o   3.8790   0.7084   3.3010   1.1090   4.4570   0.8823 -1.156000 1.417000 
1 1 1  -44   22    5 o   2.7100   0.6951   2.0910   0.9285   3.3290   1.0350 -1.238000 1.390000 
1 1 1  -44   22    6 o   3.1210   0.7355   2.9720   1.0500   3.2710   1.0300 -0.2985000 1.471000 
1 1 1  -44   22    7 o   2.6470   0.6451   1.7440   0.8375   3.5490   0.9815 -1.805000 1.290000 
1 1 1  -44   22    8 o   4.3160   0.8062   3.9740   1.3970   4.6580   0.8056 -0.6831000 1.612000 
1 1 1  -44   22    9 o   3.0540   0.7319   2.5000   1.0940   3.6090   0.9725 -1.109000 1.464000 
1 1 1  -44   22   10 o   2.5960   0.7164   3.1570   1.1170   2.0340   0.8971 1.123000 1.433000 
1 1 1  -44   22   11 o   2.2600   0.6785   2.0060   0.9300   2.5140   0.9881 -0.5077000 1.357000 
1 1 1  -44   22   12 o   4.5320   0.6798   4.4820   1.0710   4.5810   0.8383 -0.9884000E-01 1.360000 
1 1 1  -44   22   13 o   6.2850   0.4929   6.1640   0.7835   6.4060   0.5982 -0.2414000 0.9857000 
1 1 1  -44   22   14 o   4.1470   0.7133   4.6470   1.0190   3.6470   0.9984 1.000000 1.427000 
1 1 1  -44   22   15 o   1.9600   0.6410   1.7450   0.8514   2.1750   0.9584 -0.4300000 1.282000 
1 1 1  -44   22   16 o   4.2650   0.8306   3.7530   1.2060   4.7770   1.1430 -1.024000 1.661000 
1 1 1  -44   24    1 o   2.6390   0.7255   2.2120   0.9865   3.0650   1.0640 -0.8530000 1.451000 
1 1 1  -44   24    2 o   1.7860   0.6040   1.9900   0.9306   1.5830   0.7701 0.4078000 1.208000 
1 1 1  -44   24    3 o   7.7930   0.4219   7.4990   0.6572   8.0870   0.5291 -0.5877000 0.8437000 
1 1 1  -44   24    4 o   2.7410   0.7706   3.1640   1.1600   2.3190   1.0150 0.8456000 1.541000 
1 1 1  -44   24    5 o   2.1860   0.6847   2.7040   1.1030   1.6680   0.8118 1.035000 1.369000 
1 1 1  -44   24    6 o   3.1780   0.8005   3.3830   1.1540   2.9720   1.1100 0.4109000 1.601000 
1 1 1  -44   24    7 o   2.0640   0.6626   1.8050   0.8641   2.3230   1.0050 -0.5175000 1.325000 
1 1 1  -44   24    8 o   4.7280   0.8383   4.1950   1.4200   5.2610   0.8917 -1.066000 1.677000 
1 1 1  -44   24    9 o   2.0020   0.6758   2.0020   0.9861   2.0020   0.9243 0.1855000E-03 1.352000 
1 1 1  -44   24   10 o   3.4890   0.8175   3.6910   1.2490   3.2880   1.0550 0.4028000 1.635000 
1 1 1  -44   24   11 o   1.9460   0.6327   1.7560   0.8504   2.1370   0.9371 -0.3808000 1.265000 
1 1 1  -43    1    1 o   42.800   0.2890   42.300   0.4444   43.290   0.3697 -0.9924000 0.5780000 
1 1 1  -43    1    2 o   15.280   0.1694   14.920   0.2613   15.640   0.2155 -0.7143000 0.3387000 
1 1 1  -43    1    3 o   15.200   0.1575   15.200   0.2418   15.200   0.2020 -0.2409000E-02 0.3150000 
1 1 1  -43    1    4 o   10.310   0.1653   10.650   0.2660   9.9660   0.1962 0.6849000 0.3305000 
1 1 1  -43    1    5 o   9.6650   0.1653  ?   ?    9.6650   0.1653      ?      ? 
1 1 1  -43    1    6 o   5.3150   0.4380  ?   ?    5.3150   0.4380      ?      ? 
1 1 1  -43    1    7 o   14.380   0.2281  ?   ?    14.380   0.2281      ?      ? 
1 1 1  -43    1    8 o   10.680   0.2421  ?   ?    10.680   0.2421      ?      ? 
1 1 1  -43    1    9 o   33.650   0.3560   33.420   0.4975   33.890   0.5095 -0.4694000 0.7121000 
1 1 1  -43    1   10 o   20.970   0.1748   20.930   0.2465   21.010   0.2481 -0.7335000E-01 0.3497000 
1 1 1  -43    1   11 o   18.270   0.1283   18.020   0.1652   18.530   0.1964 -0.5143000 0.2566000 
1 1 1  -43    1   12 o   22.350   0.1556   22.390   0.2207   22.310   0.2195 0.7874000E-01 0.3113000 
1 1 1  -43    1   13 o   8.2350   0.2126   8.0430   0.2360   8.4270   0.3536 -0.3841000 0.4251000 
1 1 1  -43    1   14 o   16.930   0.1406   17.210   0.1836   16.660   0.2131 0.5491000 0.2813000 
1 1 1  -43    1   15 o   21.480   0.1525   21.500   0.2307   21.460   0.1993 0.3704000E-01 0.3049000 
1 1 1  -43    1   16 o   18.670   0.1779   18.550   0.2285   18.780   0.2727 -0.2320000 0.3557000 
1 1 1  -43    1   17 o   23.450   0.1735   23.410   0.2448   23.490   0.2459 -0.7573000E-01 0.3470000 
1 1 1  -43    1   18 f   8.6990   0.2127   9.1870   0.3112   8.2120   0.2901 0.9749000 0.4255000 
1 1 1  -43    1   19 o   14.860   0.1541   14.870   0.2178   14.850   0.2181 0.1596000E-01 0.3082000 
1 1 1  -43    1   20 f   10.590   0.2036   10.360   0.2726   10.810   0.3026 -0.4472000 0.4073000 
1 1 1  -43    1   21 o   7.6970   0.2707   7.9110   0.3433   7.4840   0.4188 0.4274000 0.5415000 
1 1 1  -43    1   22 o   2.4330   0.6039   1.8740   0.7959   2.9920   0.9084 -1.118000 1.208000 
1 1 1  -43    1   23 o   5.8630   0.3629   6.3940   0.4410   5.3330   0.5763 1.060000 0.7257000 
1 1 1  -43    1   24 o   7.8240   0.3835   8.1110   0.5286   7.5380   0.5557 0.5731000 0.7670000 
1 1 1  -43    1   25 o   6.4030   0.3649   6.4110   0.4844   6.3950   0.5459 0.1586000E-01 0.7299000 
1 1 1  -43    1   26 o   5.1880   0.4744   5.9240   0.5365   4.4530   0.7825 1.471000 0.9487000 
1 1 1  -43    1   27 o   10.020   0.2662   9.8400   0.3621   10.200   0.3903 -0.3561000 0.5324000 
1 1 1  -43    1   28 o   5.9390   0.5135   5.6970   0.7297   6.1800   0.7226 -0.4834000 1.027000 
1 1 1  -43    1   29 f   3.5210   0.7712   3.5840   1.0110   3.4590   1.1650 0.1248000 1.542000 
1 1 1  -43    1   30 o   3.3530   0.7004   3.7680   0.9292   2.9370   1.0480 0.8303000 1.401000 
1 1 1  -43    1   31 o   3.6720   1.0220   4.3450   1.5200   3.0000   1.3670 1.345000 2.045000 
1 1 1  -43    3    1 o   24.230   0.2115   23.750   0.3038   24.720   0.2943 -0.9705000 0.4230000 
1 1 1  -43    3    2 o   6.2910   0.3241   5.3940   0.5222   7.1880   0.3840 -1.795000 0.6482000 
1 1 1  -43    3    3 o   24.290   0.1769   24.130   0.2875   24.460   0.2062 -0.3275000 0.3538000 
1 1 1  -43    3    4 o   26.880   0.2540   26.640   0.4596   27.120   0.2163 -0.4760000 0.5079000 
1 1 1  -43    3    5 o   7.3000   0.4088   6.8820   0.6806   7.7180   0.4532 -0.8358000 0.8177000 
1 1 1  -43    3    6 o   24.220   0.2575   24.150   0.4196   24.280   0.2987 -0.1261000 0.5150000 
1 1 1  -43    3    7 o   6.2060   0.4434   6.7120   0.7019   5.7000   0.5419 1.012000 0.8868000 
1 1 1  -43    3    8 o   7.5540   0.2921   8.0440   0.3858   7.0640   0.4388 0.9805000 0.5843000 
1 1 1  -43    3    9 o   17.800   0.1903   17.760   0.2666   17.840   0.2717 -0.7673000E-01 0.3806000 
1 1 1  -43    3   10 o   6.3900   0.3288   6.3230   0.4592   6.4580   0.4708 -0.1349000 0.6576000 
1 1 1  -43    3   11 o   38.360   0.2331   38.330   0.3298   38.400   0.3296 -0.7711000E-01 0.4663000 
1 1 1  -43    3   12 o   22.900   0.1494   23.170   0.1963   22.630   0.2253 0.5451000 0.2988000 
1 1 1  -43    3   13 o   26.570   0.1982   26.920   0.3074   26.210   0.2501 0.7154000 0.3963000 
1 1 1  -43    3   14 o   16.460   0.1665   17.130   0.2177   15.780   0.2520 1.350000 0.3330000 
1 1 1  -43    3   15 o   8.0890   0.2139   8.2180   0.2759   7.9600   0.3269 0.2576000 0.4278000 
1 1 1  -43    3   16 o   10.200   0.1841   10.110   0.2485   10.280   0.2717 -0.1698000 0.3682000 
1 1 1  -43    3   17 o   15.970   0.2152   15.960   0.3004   15.990   0.3082 -0.3712000E-01 0.4304000 
1 1 1  -43    3   18 o   36.430   0.2176   36.520   0.2848   36.350   0.3291 0.1726000 0.4353000 
1 1 1  -43    3   19 o   16.890   0.1653   16.870   0.2186   16.920   0.2479 -0.5415000E-01 0.3306000 
1 1 1  -43    3   20 o   8.2870   0.2434   8.3830   0.3233   8.1910   0.3640 0.1920000 0.4869000 
1 1 1  -43    3   21 o   11.680   0.1982   11.280   0.2692   12.080   0.2909 -0.7978000 0.3963000 
1 1 1  -43    3   22 o   4.1130   0.5028   3.3560   0.7847   4.8710   0.6289 -1.516000 1.006000 
1 1 1  -43    3   23 o   10.970   0.2610   11.210   0.3251   10.720   0.4085 0.4897000 0.5220000 
1 1 1  -43    3   24 o   13.690   0.1999   13.870   0.2637   13.510   0.3006 0.3574000 0.3999000 
1 1 1  -43    3   25 o   16.070   0.2073   15.640   0.3004   16.490   0.2857 -0.8547000 0.4145000 
1 1 1  -43    3   26 o   20.180   0.1901   20.140   0.2511   20.210   0.2854 -0.6675000E-01 0.3802000 
1 1 1  -43    3   27 o   17.320   0.1984   17.390   0.2636   17.260   0.2966 0.1270000 0.3968000 
1 1 1  -43    3   28 o   1.8140   0.6028   1.6850   0.8072   1.9430   0.8956 -0.2583000 1.206000 
1 1 1  -43    3   29 o   8.6390   0.3822   8.6590   0.4720   8.6190   0.6013 0.3970000E-01 0.7644000 
1 1 1  -43    3   30 o   9.7590   0.2907   10.010   0.3828   9.5050   0.4377 0.5084000 0.5814000 
1 1 1  -43    5    1 o   15.560   0.1855   15.170   0.3037   15.950   0.2132 -0.7829000 0.3711000 
1 1 1  -43    5    2 o   28.890   0.2389  ?   ?    28.890   0.2389      ?      ? 
1 1 1  -43    5    3 o   4.7510   0.4290   4.2200   0.6583   5.2830   0.5504 -1.064000 0.8580000 
1 1 1  -43    5    4 o   7.6840   0.2082   7.4960   0.3396   7.8710   0.2410 -0.3752000 0.4164000 
1 1 1  -43    5    5 o   16.050   0.3142   16.400   0.4499   15.700   0.4386 0.6969000 0.6283000 
1 1 1  -43    5    6 o   10.280   0.3481   10.280   0.5628   10.280   0.4098 0.6580000E-04 0.6961000 
1 1 1  -43    5    7 f   31.410   0.3150   32.050   0.5187   30.770   0.3577 1.285000 0.6301000 
1 1 1  -43    5    8 o   25.450   0.3247   25.450   0.3247  ?   ?       ?      ? 
1 1 1  -43    5    9 o   11.460   0.3470   11.480   0.5107   11.440   0.4698 0.4019000E-01 0.6940000 
1 1 1  -43    5   10 o   31.220   0.3578   31.550   0.5131   30.900   0.4987 0.6465000 0.7155000 
1 1 1  -43    5   11 o   18.300   0.1362   18.250   0.1946   18.350   0.1905 -0.9887000E-01 0.2723000 
1 1 1  -43    5   12 o   33.660   0.2121   33.550   0.2986   33.760   0.3013 -0.2054000 0.4242000 
1 1 1  -43    5   13 o   21.400   0.1828   21.020   0.1977   21.770   0.3075 -0.7524000 0.3656000 
1 1 1  -43    5   14 o   8.0800   0.2108   8.5550   0.2714   7.6060   0.3227 0.9491000 0.4216000 
1 1 1  -43    5   15 o   10.780   0.1801   10.420   0.2498   11.140   0.2594 -0.7226000 0.3601000 
1 1 1  -43    5   16 o   5.2270   0.3460   5.5540   0.4362   4.8990   0.5372 0.6543000 0.6920000 
1 1 1  -43    5   17 o   15.200   0.2130   15.120   0.2589   15.270   0.3384 -0.1438000 0.4260000 
1 1 1  -43    5   18 o   18.310   0.1651   17.970   0.2163   18.660   0.2493 -0.6883000 0.3301000 
1 1 1  -43    5   19 o   12.730   0.1987   12.700   0.2873   12.770   0.2747 -0.6681000E-01 0.3975000 
1 1 1  -43    5   20 o   7.1650   0.2804   7.2350   0.3746   7.0950   0.4173 0.1404000 0.5608000 
1 1 1  -43    5   21 o   5.2110   0.3953   5.4280   0.5054   4.9940   0.6080 0.4344000 0.7906000 
1 1 1  -43    5   22 o   14.440   0.2277   14.440   0.2876   14.450   0.3530 -0.1148000E-01 0.4553000 
1 1 1  -43    5   23 o   12.520   0.2059   12.290   0.2783   12.750   0.3035 -0.4617000 0.4118000 
1 1 1  -43    5   24 o   11.990   0.2152   11.950   0.2936   12.030   0.3146 -0.7795000E-01 0.4303000 
1 1 1  -43    5   25 o   4.8440   0.5134   4.4730   0.8085   5.2160   0.6332 -0.7429000 1.027000 
1 1 1  -43    5   26 o   18.940   0.1930   18.930   0.2568   18.960   0.2883 -0.3696000E-01 0.3861000 
1 1 1  -43    5   27 o   7.4230   0.3903   7.2830   0.5471   7.5640   0.5568 -0.2802000 0.7806000 
1 1 1  -43    5   28 o   7.0450   0.3656   7.3130   0.4764   6.7770   0.5547 0.5353000 0.7313000 
1 1 1  -43    5   29 o   5.0300   0.6191   4.0950   0.9234   5.9650   0.8249 -1.870000 1.238000 
1 1 1  -43    5   30 o   3.5330   0.6934   3.2860   0.9820   3.7790   0.9793 -0.4933000 1.387000 
1 1 1  -43    7    1 o   16.010   0.1753   16.180   0.2705   15.840   0.2230 0.3330000 0.3506000 
1 1 1  -43    7    2 o   3.6390   0.5097   3.9540   0.7119   3.3240   0.7296 0.6296000 1.019000 
1 1 1  -43    7    3 o   11.960   0.1648   12.060   0.2409   11.850   0.2249 0.2145000 0.3296000 
1 1 1  -43    7    4 o   6.9690   0.3049   7.1550   0.4351   6.7830   0.4273 0.3719000 0.6098000 
1 1 1  -43    7    5 o   3.7380   0.4592   3.1800   0.6459   4.2960   0.6530 -1.116000 0.9184000 
1 1 1  -43    7    6 o   8.4700   0.1944   8.5770   0.3163   8.3640   0.2261 0.2125000 0.3888000 
1 1 1  -43    7    7 o   23.860   0.1605   23.860   0.2449   23.870   0.2076 -0.1215000E-01 0.3210000 
1 1 1  -43    7    8 o   8.2210   0.1707   8.5790   0.2624   7.8640   0.2186 0.7159000 0.3415000 
1 1 1  -43    7    9 o   35.910   0.2112   35.790   0.3208   36.030   0.2747 -0.2434000 0.4223000 
1 1 1  -43    7   10 o   23.030   0.1585   23.030   0.2027   23.040   0.2437 -0.5735000E-02 0.3170000 
1 1 1  -43    7   11 o   17.060   0.1628   16.850   0.2282   17.270   0.2323 -0.4205000 0.3256000 
1 1 1  -43    7   12 o   8.6130   0.1828   8.5370   0.2645   8.6890   0.2525 -0.1524000 0.3657000 
1 1 1  -43    7   13 o   19.530   0.1565   19.680   0.2039   19.370   0.2375 0.3075000 0.3130000 
1 1 1  -43    7   14 o   12.200   0.1728   12.110   0.2284   12.290   0.2593 -0.1741000 0.3456000 
1 1 1  -43    7   15 o   9.1730   0.2163   9.5820   0.2741   8.7650   0.3346 0.8176000 0.4326000 
1 1 1  -43    7   16 o   10.100   0.2660   10.070   0.3268   10.140   0.4197 -0.7818000E-01 0.5319000 
1 1 1  -43    7   17 o   13.410   0.1760   13.380   0.2324   13.450   0.2644 -0.7631000E-01 0.3520000 
1 1 1  -43    7   18 o   6.2290   0.3195   5.7010   0.4643   6.7570   0.4389 -1.056000 0.6389000 
1 1 1  -43    7   19 o   5.1770   0.3893   5.1520   0.5496   5.2020   0.5515 -0.5003000E-01 0.7786000 
1 1 1  -43    7   20 o   2.7400   0.6911   2.5600   0.9404   2.9200   1.0130 -0.3600000 1.382000 
1 1 1  -43    7   21 o   4.1560   0.6003   4.1780   0.7256   4.1350   0.9566 0.4356000E-01 1.201000 
1 1 1  -43    7   22 o   2.9870   0.6362   2.7400   0.8966   3.2350   0.9030 -0.4947000 1.272000 
1 1 1  -43    7   23 o   8.1750   0.2831   8.0120   0.3937   8.3380   0.4070 -0.3255000 0.5662000 
1 1 1  -43    7   24 o   9.6840   0.2745   9.5750   0.4026   9.7930   0.3731 -0.2182000 0.5489000 
1 1 1  -43    7   25 o   6.7720   0.3583   6.9910   0.4740   6.5540   0.5375 0.4364000 0.7166000 
1 1 1  -43    7   26 o   3.5920   0.7258   3.3380   1.0400   3.8470   1.0120 -0.5091000 1.452000 
1 1 1  -43    7   27 o   7.8940   0.3299   7.8200   0.4549   7.9680   0.4780 -0.1474000 0.6598000 
1 1 1  -43    7   28 o   12.900   0.2341   12.750   0.3183   13.060   0.3433 -0.3123000 0.4682000 
1 1 1  -43    7   29 f   9.3990   0.3645   9.8330   0.4416   8.9650   0.5799 0.8675000 0.7289000 
1 1 1  -43    7   30 f   2.0930   1.0320   2.0930   1.0320  ?   ?       ?      ? 
1 1 1  -43    9    1 o   18.230   0.2690  ?   ?    18.230   0.2690      ?      ? 
1 1 1  -43    9    2 o   10.490   0.2140   10.330   0.3313   10.640   0.2709 -0.3032000 0.4280000 
1 1 1  -43    9    3 o   31.030   0.2171   31.410   0.3489   30.650   0.2585 0.7538000 0.4343000 
1 1 1  -43    9    4 o   9.7770   0.2039   9.5100   0.3084   10.040   0.2668 -0.5327000 0.4077000 
1 1 1  -43    9    5 o   14.110   0.1885   14.030   0.3080   14.190   0.2175 -0.1600000 0.3770000 
1 1 1  -43    9    6 o   11.400   0.1840   11.110   0.2886   11.700   0.2283 -0.5949000 0.3680000 
1 1 1  -43    9    7 o   3.8350   0.4835   3.6380   0.7865   4.0330   0.5626 -0.3949000 0.9670000 
1 1 1  -43    9    8 o   5.6180   0.3416   5.2040   0.5676   6.0320   0.3801 -0.8276000 0.6831000 
1 1 1  -43    9    9 o   19.810   0.1646   19.960   0.2522   19.650   0.2117 0.3034000 0.3293000 
1 1 1  -43    9   10 o   10.500   0.2004   10.650   0.3106   10.350   0.2532 0.3026000 0.4008000 
1 1 1  -43    9   11 o   2.1530   0.5888   2.2440   0.8773   2.0630   0.7855 0.1814000 1.178000 
1 1 1  -43    9   12 o   6.8290   0.2909   6.9190   0.4533   6.7380   0.3647 0.1812000 0.5818000 
1 1 1  -43    9   13 o   7.8340   0.2575   8.1470   0.3926   7.5210   0.3332 0.6266000 0.5150000 
1 1 1  -43    9   14 o   9.8940   0.2185   9.5210   0.3503   10.270   0.2613 -0.7460000 0.4370000 
1 1 1  -43    9   15 o   4.9300   0.5646   6.0230   0.5329   3.8360   0.9954 2.187000 1.129000 
1 1 1  -43    9   16 o   13.640   0.1821   13.660   0.2376   13.620   0.2760 0.4207000E-01 0.3642000 
1 1 1  -43    9   17 o   17.750   0.1735   17.310   0.2282   18.190   0.2614 -0.8835000 0.3470000 
1 1 1  -43    9   18 o   10.200   0.2682   10.290   0.3338   10.100   0.4199 0.1834000 0.5364000 
1 1 1  -43    9   19 o   15.000   0.1905   15.700   0.2424   14.290   0.2939 1.404000 0.3809000 
1 1 1  -43    9   20 o   12.060   0.2131   11.750   0.2849   12.370   0.3169 -0.6132000 0.4261000 
1 1 1  -43    9   21 o   25.410   0.1912   25.390   0.2520   25.430   0.2876 -0.3400000E-01 0.3824000 
1 1 1  -43    9   22 o   7.1430   0.3295   7.3620   0.4426   6.9230   0.4882 0.4389000 0.6590000 
1 1 1  -43    9   23 o   3.8370   0.6080   4.2770   0.7788   3.3980   0.9338 0.8792000 1.216000 
1 1 1  -43    9   24 o   6.7250   0.4577   6.4970   0.7225   6.9530   0.5621 -0.4556000 0.9154000 
1 1 1  -43    9   25 o   6.1440   0.4266   7.1300   0.4832   5.1570   0.7031 1.973000 0.8531000 
1 1 1  -43    9   26 o   7.5880   0.3486   8.3130   0.4414   6.8630   0.5397 1.450000 0.6972000 
1 1 1  -43    9   27 o   5.4840   0.4668   5.2670   0.6745   5.7010   0.6454 -0.4342000 0.9335000 
1 1 1  -43    9   28 o   3.9180   0.7585   3.5470   1.0380   4.2890   1.1070 -0.7421000 1.517000 
1 1 1  -43    9   29 o   9.6670   0.3020   9.0940   0.4267   10.240   0.4275 -1.146000 0.6040000 
1 1 1  -43   11    1 o   7.3020   0.3059   6.8620   0.4768   7.7430   0.3833 -0.8812000 0.6118000 
1 1 1  -43   11    2 o   14.410   0.2191   14.420   0.3611   14.390   0.2480 0.2501000E-01 0.4381000 
1 1 1  -43   11    3 o   8.2060   0.3676   7.9220   0.6143   8.4900   0.4038 -0.5675000 0.7351000 
1 1 1  -43   11    4 o   16.770   0.2425   16.630   0.3996   16.920   0.2749 -0.2902000 0.4851000 
1 1 1  -43   11    5 o   9.5840   0.2368   9.3770   0.3705   9.7910   0.2950 -0.4138000 0.4736000 
1 1 1  -43   11    6 o   14.500   0.1642   14.490   0.2326   14.520   0.2317 -0.2310000E-01 0.3283000 
1 1 1  -43   11    7 o   20.300   0.1752   20.370   0.2691   20.230   0.2244 0.1375000 0.3503000 
1 1 1  -43   11    8 o   22.820   0.1800   22.560   0.2758   23.080   0.2313 -0.5272000 0.3599000 
1 1 1  -43   11    9 o   20.800   0.1754   20.770   0.2685   20.830   0.2257 -0.6574000E-01 0.3507000 
1 1 1  -43   11   10 f   22.090   0.2090   22.150   0.3331   22.030   0.2525 0.1210000 0.4180000 
1 1 1  -43   11   11 o   15.830   0.1822   15.880   0.2804   15.790   0.2328 0.8975000E-01 0.3644000 
1 1 1  -43   11   12 o   11.230   0.2297   10.960   0.3376   11.500   0.3114 -0.5443000 0.4593000 
1 1 1  -43   11   13 o   14.940   0.2007   15.150   0.2867   14.740   0.2809 0.4097000 0.4013000 
1 1 1  -43   11   14 o   12.770   0.2298   12.980   0.3586   12.560   0.2876 0.4243000 0.4596000 
1 1 1  -43   11   15 o   2.8080   0.6697   2.4250   0.9939   3.1910   0.8978 -0.7659000 1.339000 
1 1 1  -43   11   16 o   4.7270   0.6008   5.4500   0.6587   4.0040   1.0050 1.446000 1.202000 
1 1 1  -43   11   17 o   9.2270   0.2833   8.8510   0.4238   9.6030   0.3761 -0.7524000 0.5666000 
1 1 1  -43   11   18 o   9.6350   0.2766   9.4810   0.4088   9.7890   0.3728 -0.3080000 0.5533000 
1 1 1  -43   11   19 o   15.740   0.2082   15.790   0.3022   15.700   0.2865 0.9579000E-01 0.4164000 
1 1 1  -43   11   20 o   12.480   0.2363   12.980   0.3360   11.990   0.3324 0.9915000 0.4726000 
1 1 1  -43   11   21 o   8.2640   0.2995   8.2320   0.4003   8.2970   0.4457 -0.6495000E-01 0.5991000 
1 1 1  -43   11   22 o   14.310   0.2427   14.390   0.3238   14.240   0.3616 0.1577000 0.4854000 
1 1 1  -43   11   23 o   10.930   0.2709   11.390   0.3717   10.470   0.3943 0.9207000 0.5418000 
1 1 1  -43   11   24 o   2.5910   0.6641   1.9980   0.8656   3.1850   1.0070 -1.187000 1.328000 
1 1 1  -43   11   25 o   4.9770   0.5263   5.1860   0.6749   4.7680   0.8078 0.4178000 1.053000 
1 1 1  -43   11   26 o   9.5070   0.2950   9.6940   0.3946   9.3200   0.4385 0.3747000 0.5899000 
1 1 1  -43   11   27 o   6.7590   0.5242   7.9290   0.4826   5.5880   0.9307 2.342000 1.048000 
1 1 1  -43   11   28 o   4.5020   0.7285   4.7000   0.9332   4.3050   1.1190 0.3944000 1.457000 
1 1 1  -43   13    1 o   15.500   0.1982   15.590   0.2965   15.410   0.2630 0.1808000 0.3963000 
1 1 1  -43   13    2 o   9.6390   0.2516   9.5580   0.3791   9.7200   0.3308 -0.1619000 0.5031000 
1 1 1  -43   13    3 o   6.8170   0.3487   6.5720   0.5160   7.0610   0.4692 -0.4888000 0.6974000 
1 1 1  -43   13    4 o   9.2170   0.2796   8.8080   0.4299   9.6270   0.3576 -0.8182000 0.5592000 
1 1 1  -43   13    5 o   4.0740   0.5794   4.8320   0.7361   3.3170   0.8951 1.515000 1.159000 
1 1 1  -43   13    6 o   7.2620   0.3255   6.8900   0.5022   7.6350   0.4141 -0.7446000 0.6509000 
1 1 1  -43   13    7 o   9.6870   0.2935   9.2930   0.4805   10.080   0.3370 -0.7870000 0.5869000 
1 1 1  -43   13    8 o   7.7050   0.3457   7.1900   0.5661   8.2210   0.3969 -1.030000 0.6914000 
1 1 1  -43   13    9 o   6.1780   0.4157   5.9580   0.6697   6.3980   0.4925 -0.4406000 0.8313000 
1 1 1  -43   13   10 o   19.380   0.2128   19.480   0.3315   19.270   0.2670 0.2037000 0.4257000 
1 1 1  -43   13   11 o   7.8710   0.3014   8.1160   0.4625   7.6260   0.3865 0.4894000 0.6028000 
1 1 1  -43   13   12 o   8.4460   0.2882   8.1330   0.4513   8.7580   0.3587 -0.6255000 0.5765000 
1 1 1  -43   13   13 o   6.8970   0.3412   7.0200   0.5190   6.7740   0.4429 0.2452000 0.6823000 
1 1 1  -43   13   14 o   14.190   0.2029   14.070   0.3151   14.320   0.2558 -0.2567000 0.4058000 
1 1 1  -43   13   15 o   3.5420   0.5873   2.5790   0.9817   4.5050   0.6449 -1.926000 1.175000 
1 1 1  -43   13   16 o   11.030   0.2373   11.270   0.3672   10.790   0.3007 0.4752000 0.4746000 
1 1 1  -43   13   17 o   3.9450   0.5997   3.7680   0.9726   4.1230   0.7020 -0.3550000 1.199000 
1 1 1  -43   13   18 o   4.5570   0.5842   4.5920   0.8494   4.5230   0.8022 0.6898000E-01 1.168000 
1 1 1  -43   13   19 o   9.7860   0.3544   9.0940   0.5642   10.480   0.4291 -1.382000 0.7088000 
1 1 1  -43   13   20 o   13.380   0.2888   13.220   0.4334   13.550   0.3817 -0.3309000 0.5776000 
1 1 1  -43   13   21 o   8.9110   0.3641   8.8880   0.5776   8.9340   0.4434 -0.4692000E-01 0.7282000 
1 1 1  -43   13   22 o   10.620   0.3241   10.480   0.5103   10.770   0.3997 -0.2861000 0.6482000 
1 1 1  -43   13   23 o   8.5220   0.3546   8.2730   0.5150   8.7700   0.4876 -0.4974000 0.7092000 
1 1 1  -43   13   24 f   2.2690   0.6843   2.1920   0.9558   2.3450   0.9796 -0.1523000 1.369000 
1 1 1  -43   13   25 o   9.0880   0.3248   9.5890   0.4032   8.5870   0.5094 1.002000 0.6497000 
1 1 1  -43   13   26 o   13.690   0.2826   13.740   0.3320   13.640   0.4573 0.1062000 0.5651000 
1 1 1  -43   13   27 o   4.7580   0.7776   5.8820   0.9820   3.6350   1.2060 2.247000 1.555000 
1 1 1  -43   15    1 o   4.6220   0.5616   3.7080   0.9442   5.5360   0.6084 -1.828000 1.123000 
1 1 1  -43   15    2 o   10.600   0.2534   10.530   0.3782   10.660   0.3374 -0.1270000 0.5068000 
1 1 1  -43   15    3 o   11.640   0.2763   11.280   0.4637   11.990   0.3006 -0.7161000 0.5526000 
1 1 1  -43   15    4 f   2.9660   0.6681   2.8450   0.9822   3.0880   0.9060 -0.2433000 1.336000 
1 1 1  -43   15    5 o   5.0730   0.4316   5.3930   0.5854   4.7540   0.6343 0.6384000 0.8631000 
1 1 1  -43   15    6 o   7.7590   0.3310   7.5360   0.5320   7.9820   0.3942 -0.4459000 0.6621000 
1 1 1  -43   15    7 o   15.760   0.2854   15.310   0.5100   16.210   0.2566 -0.9068000 0.5709000 
1 1 1  -43   15    8 o   4.1010   0.6219   3.8970   1.0220   4.3040   0.7088 -0.4064000 1.244000 
1 1 1  -43   15    9 o   5.1080   0.4625   5.5930   0.6562   4.6230   0.6518 0.9695000 0.9249000 
1 1 1  -43   15   10 o   3.4330   0.6456   3.9390   0.9265   2.9270   0.8995 1.012000 1.291000 
1 1 1  -43   15   11 o   4.0650   0.5988   4.0220   0.9483   4.1080   0.7314 -0.8619000E-01 1.198000 
1 1 1  -43   15   12 f   6.3790   0.3878   6.7360   0.5861   6.0210   0.5080 0.7155000 0.7756000 
1 1 1  -43   15   13 o   21.730   0.1960   21.900   0.3011   21.570   0.2512 0.3264000 0.3921000 
1 1 1  -43   15   14 o   12.060   0.2405   12.240   0.3698   11.870   0.3076 0.3659000 0.4811000 
1 1 1  -43   15   15 o   4.0240   0.6970   4.7300   1.0260   3.3180   0.9442 1.412000 1.394000 
1 1 1  -43   15   16 o   7.4000   0.4066   7.4990   0.6583   7.3010   0.4776 0.1980000 0.8133000 
1 1 1  -43   15   17 o   15.260   0.2517   15.260   0.4016   15.250   0.3034 0.1261000E-01 0.5033000 
1 1 1  -43   15   18 f   2.5300   0.6765   3.0280   1.0370   2.0310   0.8690 0.9962000 1.353000 
1 1 1  -43   15   19 o   13.940   0.2743   14.010   0.4288   13.870   0.3423 0.1382000 0.5487000 
1 1 1  -43   15   20 o   9.5840   0.3524   9.4570   0.5604   9.7120   0.4274 -0.2556000 0.7047000 
1 1 1  -43   15   21 o   3.6530   0.7081   3.0950   1.0660   4.2110   0.9323 -1.116000 1.416000 
1 1 1  -43   15   22 o   9.2520   0.3288   9.4420   0.4674   9.0620   0.4625 0.3797000 0.6575000 
1 1 1  -43   15   23 o   8.1150   0.3689   7.9910   0.5357   8.2400   0.5075 -0.2490000 0.7379000 
1 1 1  -43   15   24 o   2.5160   0.7135   2.9160   1.0700   2.1170   0.9437 0.7983000 1.427000 
1 1 1  -43   15   25 o   6.4430   0.5551   7.0700   0.6181   5.8160   0.9221 1.255000 1.110000 
1 1 1  -43   17    1 o   4.0200   0.6401   4.6840   0.8429   3.3560   0.9636 1.328000 1.280000 
1 1 1  -43   17    2 o   9.1240   0.3151   8.6570   0.4755   9.5910   0.4137 -0.9335000 0.6302000 
1 1 1  -43   17    3 o   6.4680   0.4127   6.4750   0.5796   6.4600   0.5876 0.1515000E-01 0.8253000 
1 1 1  -43   17    4 o   7.5930   0.3471   8.0460   0.4638   7.1400   0.5165 0.9062000 0.6942000 
1 1 1  -43   17    5 o   8.0450   0.3407   8.0720   0.4850   8.0180   0.4787 0.5394000E-01 0.6815000 
1 1 1  -43   17    6 o   10.150   0.2802   9.9190   0.4077   10.380   0.3845 -0.4632000 0.5604000 
1 1 1  -43   17    7 o   2.7530   0.7053   3.0530   1.0380   2.4530   0.9548 0.6001000 1.411000 
1 1 1  -43   17    8 o   14.220   0.3065   14.010   0.5273   14.430   0.3126 -0.4220000 0.6130000 
1 1 1  -43   17    9 o   3.0390   0.7596   2.7930   1.1630   3.2850   0.9772 -0.4919000 1.519000 
1 1 1  -43   17   10 o   5.1080   0.5781   5.0110   0.9316   5.2040   0.6848 -0.1930000 1.156000 
1 1 1  -43   17   11 o   7.7310   0.3936   7.4900   0.6433   7.9720   0.4539 -0.4815000 0.7873000 
1 1 1  -43   17   12 o   6.1690   0.4201   6.6910   0.6032   5.6470   0.5849 1.044000 0.8402000 
1 1 1  -43   17   13 o   4.1950   0.6096   3.2790   1.0380   5.1100   0.6401 -1.830000 1.219000 
1 1 1  -43   17   14 o   6.2330   0.4203   6.4850   0.6266   5.9800   0.5603 0.5053000 0.8406000 
1 1 1  -43   17   15 o   10.310   0.2777   10.360   0.4150   10.260   0.3690 0.1033000 0.5553000 
1 1 1  -43   17   16 o   5.5030   0.6094   5.6670   0.9231   5.3380   0.7959 0.3284000 1.219000 
1 1 1  -43   17   17 o   18.300   0.2600   18.540   0.4082   18.070   0.3221 0.4660000 0.5200000 
1 1 1  -43   17   18 o   3.3180   0.6706   4.2280   0.9519   2.4080   0.9449 1.820000 1.341000 
1 1 1  -43   17   19 o   10.010   0.2937   10.030   0.4452   9.9920   0.3833 0.3741000E-01 0.5875000 
1 1 1  -43   17   20 o   5.6560   0.4850   5.7390   0.7261   5.5720   0.6430 0.1666000 0.9699000 
1 1 1  -43   17   21 o   4.0060   0.7173   4.3240   0.9678   3.6880   1.0590 0.6357000 1.435000 
1 1 1  -43   17   22 o   4.4460   0.6694   4.4430   0.9395   4.4480   0.9538 -0.4570000E-02 1.339000 
1 1 1  -43   17   23 o   2.8390   0.7692   3.0590   1.0710   2.6180   1.1040 0.4403000 1.538000 
1 1 1  -43   17   24 f   3.2210   0.8732   3.8680   1.2800   2.5740   1.1880 1.294000 1.746000 
1 1 1  -43   19    1 o   6.3080   0.4507   6.8800   0.6154   5.7360   0.6586 1.144000 0.9014000 
1 1 1  -43   19    2 f   6.2450   0.4518   6.5260   0.6483   5.9640   0.6295 0.5619000 0.9037000 
1 1 1  -43   19    3 o   5.8610   0.6137   5.5010   0.9744   6.2210   0.7463 -0.7199000 1.227000 
1 1 1  -43   19    4 o   5.0450   0.6753   5.4390   0.9417   4.6500   0.9681 0.7891000 1.351000 
1 1 1  -43   19    5 o   2.2760   0.6955   2.3830   1.0020   2.1690   0.9653 0.2148000 1.391000 
1 1 1  -43   19    6 o   2.2250   0.6798   2.4510   1.0040   2.0000   0.9167 0.4512000 1.360000 
1 1 1  -43   19    7 o   6.9540   0.4295   7.0790   0.5863   6.8290   0.6278 0.2499000 0.8590000 
1 1 1  -43   19    8 o   6.5260   0.6500  ?   ?    6.5260   0.6500      ?      ? 
1 1 1  -43   19    9 o   4.8600   0.8971  ?   ?    4.8600   0.8971      ?      ? 
1 1 1  -43   19   10 o   10.140   0.4750   9.6330   0.8405   10.640   0.4429 -1.012000 0.9500000 
1 1 1  -43   19   11 o   11.290   0.3466   11.860   0.5418   10.730   0.4324 1.134000 0.6932000 
1 1 1  -43   19   12 o   10.280   0.3741   9.9890   0.6093   10.570   0.4343 -0.5812000 0.7483000 
1 1 1  -43   19   13 o   5.3090   0.6360   5.2620   1.0880   5.3560   0.6588 -0.9413000E-01 1.272000 
1 1 1  -43   19   14 o   2.3960   0.6924   2.6490   1.0460   2.1420   0.9079 0.5063000 1.385000 
1 1 1  -43   19   15 o   5.6140   0.5113   6.3100   0.6931   4.9170   0.7520 1.393000 1.023000 
1 1 1  -43   19   16 o   4.5390   0.6318   3.8490   1.0420   5.2280   0.7146 -1.378000 1.264000 
1 1 1  -43   19   17 f   2.3630   0.6948   2.5810   1.0380   2.1450   0.9243 0.4359000 1.390000 
1 1 1  -43   19   18 o   3.4330   0.7275   3.4770   1.0660   3.3890   0.9905 0.8798000E-01 1.455000 
1 1 1  -43   19   19 o   8.6470   0.3423   8.3140   0.5306   8.9790   0.4327 -0.6654000 0.6847000 
1 1 1  -43   19   20 o   3.4140   0.7210   3.9780   1.0200   2.8500   1.0190 1.128000 1.442000 
1 1 1  -43   19   21 o   2.8140   0.7608   2.6650   1.0530   2.9640   1.0990 -0.2990000 1.522000 
1 1 1  -43   21    1 o   2.9640   0.7336   2.5760   1.0490   3.3530   1.0260 -0.7771000 1.467000 
1 1 1  -43   21    2 o   5.1510   0.5698   5.8500   0.7387   4.4520   0.8678 1.399000 1.140000 
1 1 1  -43   21    3 o   1.9570   0.6297   1.8960   0.8834   2.0170   0.8976 -0.1207000 1.259000 
1 1 1  -43   21    4 o   2.8580   0.7092   3.1900   1.0160   2.5260   0.9899 0.6642000 1.418000 
1 1 1  -43   21    5 o   5.5360   0.4852   5.3910   0.7151   5.6810   0.6560 -0.2894000 0.9704000 
1 1 1  -43   21    6 o   2.5090   0.6897   2.8300   1.0180   2.1880   0.9311 0.6422000 1.379000 
1 1 1  -43   21    7 o   4.0660   0.6339   4.2830   0.8747   3.8500   0.9178 0.4337000 1.268000 
1 1 1  -43   21    8 o   7.8850   0.3991   7.0360   0.6698   8.7330   0.4342 -1.697000 0.7982000 
1 1 1  -43   21    9 o   3.3120   0.8442   3.6080   1.3650   3.0150   0.9931 0.5928000 1.688000 
1 1 1  -43   21   10 o   3.3170   0.8116   3.0770   1.3010   3.5560   0.9711 -0.4792000 1.623000 
1 1 1  -43   21   11 o   3.2680   0.7381   2.7080   1.1290   3.8280   0.9514 -1.120000 1.476000 
1 1 1  -43   21   12 o   7.9690   0.3746   7.8780   0.5848   8.0590   0.4683 -0.1816000 0.7492000 
1 1 1  -43   21   13 o   7.3150   0.4116   7.0040   0.6548   7.6270   0.4988 -0.6230000 0.8232000 
1 1 1  -43   21   14 o   2.8300   0.6752   3.8810   1.0670   1.7790   0.8275 2.101000 1.350000 
1 1 1  -43   21   15 o   6.1820   0.4695   6.5490   0.6850   5.8150   0.6422 0.7339000 0.9390000 
1 1 1  -43   21   16 o   2.6460   0.7051   2.1770   0.9701   3.1150   1.0240 -0.9377000 1.410000 
1 1 1  -43   21   17 o   2.6160   0.7216   2.0700   0.9391   3.1610   1.0960 -1.091000 1.443000 
1 1 1  -43   21   18 o   6.5980   0.5463   7.3560   0.7334   5.8400   0.8099 1.516000 1.093000 
1 1 1  -43   21   19 o   2.5100   0.8086   2.4600   1.1570   2.5600   1.1300 -0.1008000 1.617000 
1 1 1  -43   23    1 f   5.1580   0.7060   3.8000   1.2180   6.5160   0.7148 -2.716000 1.412000 
1 1 1  -43   23    2 o   3.0980   0.8750   3.6120   1.3880   2.5840   1.0660 1.028000 1.750000 
1 1 1  -43   23    3 o   2.7720   0.7891   2.5360   1.1240   3.0080   1.1080 -0.4713000 1.578000 
1 1 1  -43   23    4 o   2.1460   0.6690   1.5320   0.7644   2.7590   1.0980 -1.227000 1.338000 
1 1 1  -43   23    5 f   2.4610   0.7460   2.7570   1.1280   2.1650   0.9760 0.5916000 1.492000 
1 1 1  -43   23    6 o   3.6510   0.7231   4.9190   1.0250   2.3830   1.0200 2.536000 1.446000 
1 1 1  -43   23    7 o   1.7040   0.5841   1.6700   0.8158   1.7380   0.8361 -0.6828000E-01 1.168000 
1 1 1  -43   23    8 o   6.7090   0.5026   6.2460   0.7852   7.1730   0.6276 -0.9270000 1.005000 
1 1 1  -43   23    9 o   5.8410   0.5670   6.0640   0.7932   5.6190   0.8105 0.4450000 1.134000 
1 1 1  -43   23   10 f   7.0290   0.6877   7.1240   1.2010   6.9340   0.6695 0.1902000 1.375000 
1 1 1  -43   23   11 o   2.7250   0.8418   2.7090   1.2310   2.7410   1.1480 -0.3204000E-01 1.684000 
1 1 1  -43   23   12 o   3.5780   0.8816   3.4170   1.2460   3.7400   1.2480 -0.3234000 1.763000 
1 1 1  -43   23   13 o   2.9150   0.8314   2.7600   1.1550   3.0700   1.1970 -0.3104000 1.663000 
1 1 1  -43   23   14 o   5.7670   0.6483   6.4700   0.8889   5.0630   0.9439 1.406000 1.297000 
1 1 1  -43   23   15 o   2.1790   0.6856   2.4420   1.0380   1.9150   0.8964 0.5267000 1.371000 
1 1 1  -43   25    1 o   2.6030   0.7380   2.9890   1.1190   2.2170   0.9628 0.7722000 1.476000 
1 1 1  -43   25    2 o   2.3740   0.7060   2.8970   1.1170   1.8510   0.8633 1.046000 1.412000 
1 1 1  -43   25    3 o   3.1920   0.6332   1.8400   0.8809   4.5440   0.9098 -2.704000 1.266000 
1 1 1  -43   25    4 o   2.2180   0.6771   1.9050   0.8879   2.5310   1.0230 -0.6270000 1.354000 
1 1 1  -43   25    5 o   2.6340   0.7304   2.8970   1.0720   2.3700   0.9922 0.5273000 1.461000 
1 1 1  -43   25    6 o   2.5300   0.7226   2.5060   1.0250   2.5540   1.0190 -0.4892000E-01 1.445000 
1 1 1  -43   25    7 o   2.2290   0.6750   2.0050   0.9077   2.4520   0.9993 -0.4475000 1.350000 
1 1 1  -43   25    8 o   2.5570   0.7261   2.2550   1.0130   2.8590   1.0410 -0.6036000 1.452000 
1 1 1  -42    0    1 o   35.240   0.3103   35.240   0.3103   35.240   0.3103 -0.000000 0.000000 
1 1 1  -42    0    2 o   14.900   0.2119   14.900   0.2119   14.900   0.2119 -0.000000 0.000000 
1 1 1  -42    0    3 o   37.320   0.5479   37.320   0.5479   37.320   0.5479 -0.000000 0.000000 
1 1 1  -42    0    4 o   18.690   0.2351   18.690   0.2351   18.690   0.2351 -0.000000 0.000000 
1 1 1  -42    0    5 o   19.850   0.1917   19.850   0.1917   19.850   0.1917 -0.000000 0.000000 
1 1 1  -42    0    7 o   32.520   0.3372   32.520   0.3372   32.520   0.3372 -0.000000 0.000000 
1 1 1  -42    0    8 o   35.980   0.3709   35.980   0.3709   35.980   0.3709 -0.000000 0.000000 
1 1 1  -42    0    9 o   24.170   0.1862   24.170   0.1862   24.170   0.1862 -0.000000 0.000000 
1 1 1  -42    0   10 o   13.760   0.1765   13.760   0.1765   13.760   0.1765 -0.000000 0.000000 
1 1 1  -42    0   11 o   0.8065   0.5796   0.8065   0.5796   0.8065   0.5796 -0.000000 0.000000 
1 1 1  -42    0   12 o   10.150   0.2251   10.150   0.2251   10.150   0.2251 -0.000000 0.000000 
1 1 1  -42    0   13 o   14.120   0.1793   14.120   0.1793   14.120   0.1793 -0.000000 0.000000 
1 1 1  -42    0   14 o   10.400   0.2124   10.400   0.2124   10.400   0.2124 -0.000000 0.000000 
1 1 1  -42    0   15 o   3.6150   0.6014   3.6150   0.6014   3.6150   0.6014 -0.000000 0.000000 
1 1 1  -42    0   16 o   8.2260   0.3880   8.2260   0.3880   8.2260   0.3880 -0.000000 0.000000 
1 1 1  -42    0   17 o   20.290   0.2022   20.290   0.2022   20.290   0.2022 -0.000000 0.000000 
1 1 1  -42    0   18 o   20.350   0.2442   20.350   0.2442   20.350   0.2442 -0.000000 0.000000 
1 1 1  -42    0   19 o   22.860   0.2190   22.860   0.2190   22.860   0.2190 -0.000000 0.000000 
1 1 1  -42    0   20 o   15.090   0.2246   15.090   0.2246   15.090   0.2246 -0.000000 0.000000 
1 1 1  -42    0   21 o   2.2370   1.0300   2.2370   1.0300   2.2370   1.0300 -0.000000 0.000000 
1 1 1  -42    0   22 o   5.4150   0.4988   5.4150   0.4988   5.4150   0.4988 -0.000000 0.000000 
1 1 1  -42    0   23 o   12.970   0.2566   12.970   0.2566   12.970   0.2566 -0.000000 0.000000 
1 1 1  -42    0   24 o   21.350   0.3443   21.350   0.3443   21.350   0.3443 -0.000000 0.000000 
1 1 1  -42    0   25 o   8.4830   0.3805   8.4830   0.3805   8.4830   0.3805 -0.000000 0.000000 
1 1 1  -42    0   26 o   22.300   0.2477   22.300   0.2477   22.300   0.2477 -0.000000 0.000000 
1 1 1  -42    0   27 o   10.980   0.3271   10.980   0.3271   10.980   0.3271 -0.000000 0.000000 
1 1 1  -42    0   28 o   7.3170   0.6915   7.3170   0.6915   7.3170   0.6915 -0.000000 0.000000 
1 1 1  -42    0   29 o   4.5170   0.8130   4.5170   0.8130   4.5170   0.8130 -0.000000 0.000000 
1 1 1  -42    0   30 o   18.110   0.3226   18.110   0.3226   18.110   0.3226 -0.000000 0.000000 
1 1 1  -42    0   31 o   6.1940   0.6848   6.1940   0.6848   6.1940   0.6848 -0.000000 0.000000 
1 1 1  -42    2    1 o   16.970   0.2297  ?   ?    16.970   0.2297      ?      ? 
1 1 1  -42    2    2 o   21.790   0.1809   21.420   0.2759   22.170   0.2341 -0.7559000 0.3618000 
1 1 1  -42    2    3 o   16.300   0.2184  ?   ?    16.300   0.2184      ?      ? 
1 1 1  -42    2    4 o   42.550   0.2694   42.620   0.4412   42.470   0.3094 0.1569000 0.5389000 
1 1 1  -42    2    5 o   29.940   0.2873   29.710   0.4670   30.180   0.3346 -0.4693000 0.5745000 
1 1 1  -42    2    6 o   29.320   0.2796   29.350   0.4565   29.300   0.3230 0.5678000E-01 0.5592000 
1 1 1  -42    2    7 o   34.660   0.3704   34.600   0.5214   34.710   0.5263 -0.1133000 0.7408000 
1 1 1  -42    2    8 o   20.750   0.1852   21.080   0.2618   20.430   0.2620 0.6415000 0.3704000 
1 1 1  -42    2    9 o   9.1680   0.3130  ?   ?    9.1680   0.3130      ?      ? 
1 1 1  -42    2   10 o   13.930   0.1562   13.860   0.2554   13.990   0.1798 -0.1324000 0.3124000 
1 1 1  -42    2   11 o   29.320   0.1725   29.330   0.2248   29.300   0.2616 0.3047000E-01 0.3449000 
1 1 1  -42    2   12 o   15.650   0.1436   15.560   0.2042   15.740   0.2020 -0.1789000 0.2872000 
1 1 1  -42    2   13 o   12.850   0.1425   12.980   0.1893   12.720   0.2131 0.2591000 0.2850000 
1 1 1  -42    2   14 o   25.530   0.1754   25.770   0.2473   25.290   0.2488 0.4712000 0.3508000 
1 1 1  -42    2   15 o   8.8340   0.2248   8.7950   0.3030   8.8730   0.3321 -0.7721000E-01 0.4495000 
1 1 1  -42    2   16 o   6.2060   0.3177   6.0800   0.3575   6.3320   0.5252 -0.2520000 0.6353000 
1 1 1  -42    2   17 o   13.690   0.2010   13.640   0.2461   13.740   0.3178 -0.1004000 0.4020000 
1 1 1  -42    2   18 o   8.7680   0.2153   8.6140   0.2905   8.9210   0.3177 -0.3068000 0.4305000 
1 1 1  -42    2   19 o   4.3520   0.4379   4.5990   0.5375   4.1050   0.6914 0.4939000 0.8758000 
1 1 1  -42    2   20 o   2.9190   0.5362   3.8230   0.6773   2.0150   0.8315 1.808000 1.072000 
1 1 1  -42    2   21 o   13.430   0.1839   13.480   0.2422   13.380   0.2768 0.9474000E-01 0.3679000 
1 1 1  -42    2   22 o   11.400   0.2084   11.260   0.2756   11.540   0.3127 -0.2843000 0.4168000 
1 1 1  -42    2   23 o   8.9900   0.2981   8.7920   0.3824   9.1880   0.4576 -0.3968000 0.5963000 
1 1 1  -42    2   24 o   2.8950   0.5914   3.9860   0.8572   1.8030   0.8152 2.183000 1.183000 
1 1 1  -42    2   25 o   12.280   0.2181   12.120   0.2977   12.440   0.3189 -0.3211000 0.4363000 
1 1 1  -42    2   26 o   6.0200   0.3944   5.9830   0.5289   6.0560   0.5852 -0.7339000E-01 0.7888000 
1 1 1  -42    2   27 o   7.7590   0.3253   7.7000   0.4383   7.8170   0.4809 -0.1170000 0.6507000 
1 1 1  -42    2   28 o   4.0750   0.7012   3.6350   1.0320   4.5150   0.9495 -0.8799000 1.402000 
1 1 1  -42    2   29 o   4.0200   0.7312   4.6380   0.8806   3.4030   1.1680 1.236000 1.462000 
1 1 1  -42    2   30 o   4.8160   0.5781   5.6280   0.6411   4.0030   0.9621 1.625000 1.156000 
1 1 1  -42    2   31 f   8.7460   0.3322   8.9240   0.4371   8.5690   0.5003 0.3552000 0.6644000 
1 1 1  -42    4    1 o   9.8270   0.2564   9.6750   0.4201   9.9790   0.2941 -0.3041000 0.5128000 
1 1 1  -42    4    2 o   8.4700   0.2831   8.3790   0.4220   8.5610   0.3776 -0.1819000 0.5663000 
1 1 1  -42    4    3 o   6.2670   0.2575   6.5320   0.3978   6.0030   0.3272 0.5288000 0.5150000 
1 1 1  -42    4    4 o   10.190   0.3060   9.9600   0.5849   10.420   0.1802 -0.4590000 0.6120000 
1 1 1  -42    4    5 o   14.060   0.2713   14.220   0.4383   13.910   0.3199 0.3129000 0.5426000 
1 1 1  -42    4    6 f   11.810   0.2915   12.030   0.4743   11.580   0.3389 0.4529000 0.5829000 
1 1 1  -42    4    7 o   29.550   0.2948   29.250   0.4790   29.860   0.3436 -0.6166000 0.5895000 
1 1 1  -42    4    8 o   34.880   0.2701   34.920   0.3818   34.830   0.3821 0.9478000E-01 0.5401000 
1 1 1  -42    4    9 o   32.490   0.2557   32.320   0.3594   32.660   0.3638 -0.3404000 0.5114000 
1 1 1  -42    4   10 o   22.450   0.2948   22.450   0.2948  ?   ?       ?      ? 
1 1 1  -42    4   11 o   15.140   0.1304   15.430   0.1683   14.840   0.1993 0.5830000 0.2609000 
1 1 1  -42    4   12 o   34.110   0.2581   34.170   0.3666   34.060   0.3634 0.1113000 0.5162000 
1 1 1  -42    4   13 o   33.580   0.2963   33.580   0.2963  ?   ?       ?      ? 
1 1 1  -42    4   14 o   15.800   0.1498   16.040   0.2006   15.550   0.2226 0.4915000 0.2997000 
1 1 1  -42    4   15 o   17.490   0.1526   17.700   0.2001   17.290   0.2305 0.4106000 0.3053000 
1 1 1  -42    4   16 o   14.370   0.1603   14.230   0.2123   14.500   0.2403 -0.2638000 0.3207000 
1 1 1  -42    4   17 o   8.7470   0.2748   8.5060   0.3505   8.9880   0.4232 -0.4824000 0.5495000 
1 1 1  -42    4   18 o   30.540   0.1938   30.710   0.2547   30.380   0.2923 0.3307000 0.3877000 
1 1 1  -42    4   19 o   25.630   0.1790   25.590   0.2345   25.660   0.2704 -0.6889000E-01 0.3580000 
1 1 1  -42    4   20 o   19.370   0.1704   19.400   0.2235   19.340   0.2573 0.6606000E-01 0.3408000 
1 1 1  -42    4   21 o   16.370   0.1767   16.080   0.2361   16.660   0.2630 -0.5811000 0.3534000 
1 1 1  -42    4   22 o   15.980   0.2150   15.740   0.2737   16.220   0.3317 -0.4752000 0.4300000 
1 1 1  -42    4   23 o   9.3610   0.2871   9.5680   0.3352   9.1540   0.4662 0.4135000 0.5742000 
1 1 1  -42    4   24 o   3.9300   0.5663   3.5720   0.8437   4.2870   0.7557 -0.7150000 1.133000 
1 1 1  -42    4   25 o   19.810   0.2009   19.660   0.2861   19.970   0.2821 -0.3193000 0.4018000 
1 1 1  -42    4   26 o   18.670   0.1936   18.690   0.2563   18.660   0.2903 0.3339000E-01 0.3873000 
1 1 1  -42    4   27 o   21.490   0.2316   21.710   0.3037   21.270   0.3497 0.4468000 0.4632000 
1 1 1  -42    4   28 o   3.2630   0.6507   2.3580   0.9335   4.1690   0.9068 -1.811000 1.301000 
1 1 1  -42    4   29 f   5.5780   0.5614   5.7160   0.6918   5.4400   0.8844 0.2757000 1.123000 
1 1 1  -42    4   30 o   3.5880   0.6854   3.3070   0.9795   3.8700   0.9590 -0.5634000 1.371000 
1 1 1  -42    6    1 o   12.910   0.1728   12.480   0.2546   13.330   0.2337 -0.8442000 0.3456000 
1 1 1  -42    6    2 o   13.520   0.1676   13.280   0.2531   13.760   0.2197 -0.4765000 0.3351000 
1 1 1  -42    6    3 o   14.040   0.2123   13.900   0.3371   14.190   0.2582 -0.2913000 0.4246000 
1 1 1  -42    6    4 o   36.270   0.2333   36.530   0.3770   36.010   0.2748 0.5216000 0.4666000 
1 1 1  -42    6    5 o   15.530   0.1496   15.300   0.2390   15.770   0.1800 -0.4670000 0.2992000 
1 1 1  -42    6    6 o   27.050   0.2708   27.010   0.4833   27.080   0.2443 -0.7066000E-01 0.5415000 
1 1 1  -42    6    7 o   20.600   0.2571   20.040   0.4436   21.160   0.2601 -1.122000 0.5142000 
1 1 1  -42    6    8 o   5.0610   0.5621   5.0780   1.1030   5.0440   0.2178 0.3402000E-01 1.124000 
1 1 1  -42    6    9 o   22.720   0.1867   22.560   0.3187   22.870   0.1945 -0.3057000 0.3734000 
1 1 1  -42    6   10 o   23.640   0.1426   23.530   0.2008   23.750   0.2024 -0.2173000 0.2851000 
1 1 1  -42    6   11 o   6.1390   0.2376   6.1860   0.3060   6.0910   0.3635 0.9543000E-01 0.4752000 
1 1 1  -42    6   12 o   16.960   0.1607   16.880   0.2279   17.050   0.2266 -0.1701000 0.3214000 
1 1 1  -42    6   13 o   11.320   0.1706   11.330   0.2268   11.300   0.2549 0.2702000E-01 0.3411000 
1 1 1  -42    6   14 o   28.760   0.1831   28.520   0.2377   29.010   0.2784 -0.4952000 0.3661000 
1 1 1  -42    6   15 o   6.7750   0.2701   7.0000   0.3549   6.5500   0.4073 0.4491000 0.5402000 
1 1 1  -42    6   16 o   10.380   0.2597   10.350   0.3220   10.410   0.4075 -0.5521000E-01 0.5194000 
1 1 1  -42    6   17 o   15.910   0.1689   15.930   0.2249   15.890   0.2521 0.4319000E-01 0.3378000 
1 1 1  -42    6   18 o   8.8150   0.2390   8.5370   0.3375   9.0930   0.3384 -0.5563000 0.4779000 
1 1 1  -42    6   19 o   8.4620   0.2498   8.6930   0.3235   8.2310   0.3809 0.4624000 0.4997000 
1 1 1  -42    6   20 o   8.0850   0.2626   8.1280   0.3525   8.0410   0.3894 0.8704000E-01 0.5252000 
1 1 1  -42    6   21 o   4.3830   0.5928   3.9110   0.8323   4.8550   0.8442 -0.9440000 1.186000 
1 1 1  -42    6   22 o   5.2540   0.4240   5.7290   0.5062   4.7790   0.6802 0.9501000 0.8479000 
1 1 1  -42    6   23 o   15.580   0.1904   15.620   0.2554   15.550   0.2826 0.7240000E-01 0.3809000 
1 1 1  -42    6   24 o   7.0690   0.3473   7.4340   0.4838   6.7030   0.4985 0.7310000 0.6947000 
1 1 1  -42    6   25 o   10.530   0.2496   11.050   0.3230   10.010   0.3808 1.041000 0.4993000 
1 1 1  -42    6   26 o   13.570   0.2514   13.590   0.3432   13.550   0.3675 0.4607000E-01 0.5028000 
1 1 1  -42    6   27 o   11.500   0.2421   11.490   0.3243   11.510   0.3595 -0.1596000E-01 0.4841000 
1 1 1  -42    6   28 o   5.3410   0.4812   4.7190   0.7393   5.9640   0.6160 -1.245000 0.9623000 
1 1 1  -42    6   29 o   4.8740   0.6449   4.8860   0.8144   4.8620   1.0000 0.2386000E-01 1.290000 
1 1 1  -42    6   30 o   9.2820   0.3055   9.3440   0.4096   9.2200   0.4534 0.1239000 0.6110000 
1 1 1  -42    8    1 o   6.8620   0.2970   6.9750   0.4276   6.7500   0.4124 0.2251000 0.5941000 
1 1 1  -42    8    2 o   21.950   0.1661   22.160   0.2477   21.740   0.2214 0.4187000 0.3322000 
1 1 1  -42    8    3 o   12.390   0.1828   12.100   0.2853   12.670   0.2285 -0.5681000 0.3655000 
1 1 1  -42    8    4 o   15.040   0.1645   15.090   0.2527   15.000   0.2108 0.8637000E-01 0.3291000 
1 1 1  -42    8    5 o   21.850   0.2170   21.810   0.3784   21.890   0.2124 -0.8217000E-01 0.4340000 
1 1 1  -42    8    6 o   12.520   0.2439   12.420   0.3967   12.630   0.2841 -0.2169000 0.4879000 
1 1 1  -42    8    7 o   17.400   0.2101   17.230   0.3358   17.570   0.2524 -0.3461000 0.4201000 
1 1 1  -42    8    8 o   9.5320   0.2847   9.5530   0.4560   9.5110   0.3409 0.4131000E-01 0.5693000 
1 1 1  -42    8    9 o   21.150   0.2111   20.800   0.3382   21.490   0.2526 -0.6891000 0.4221000 
1 1 1  -42    8   10 o   5.9550   0.2956   6.0170   0.4582   5.8930   0.3736 0.1237000 0.5912000 
1 1 1  -42    8   11 o   12.840   0.1744   12.570   0.2752   13.100   0.2144 -0.5322000 0.3489000 
1 1 1  -42    8   12 o   23.870   0.1712   23.590   0.2620   24.160   0.2205 -0.5730000 0.3424000 
1 1 1  -42    8   13 o   23.640   0.1723   23.540   0.2649   23.750   0.2204 -0.2110000 0.3446000 
1 1 1  -42    8   14 f   12.240   0.1842   12.050   0.2431   12.430   0.2767 -0.3759000 0.3683000 
1 1 1  -42    8   15 o   13.160   0.2325   13.300   0.2861   13.030   0.3666 0.2643000 0.4650000 
1 1 1  -42    8   16 o   3.2430   0.6220   3.4590   0.8732   3.0260   0.8860 0.4328000 1.244000 
1 1 1  -42    8   17 o   14.470   0.1779   14.450   0.2325   14.500   0.2694 -0.4468000E-01 0.3559000 
1 1 1  -42    8   18 o   2.9160   0.5978   2.2210   0.8460   3.6110   0.8448 -1.389000 1.196000 
1 1 1  -42    8   19 o   14.640   0.2221   14.660   0.2764   14.620   0.3477 0.4219000E-01 0.4442000 
1 1 1  -42    8   20 o   9.7400   0.2447   9.8850   0.3270   9.5960   0.3642 0.2889000 0.4894000 
1 1 1  -42    8   21 o   12.180   0.2131   12.030   0.2927   12.340   0.3097 -0.3189000 0.4262000 
1 1 1  -42    8   22 o   12.420   0.2147   12.220   0.2972   12.620   0.3098 -0.3945000 0.4293000 
1 1 1  -42    8   23 f   9.3940   0.2605   9.1200   0.3679   9.6670   0.3687 -0.5463000 0.5209000 
1 1 1  -42    8   24 o   3.6360   0.6610   3.5420   0.9682   3.7290   0.9001 -0.1865000 1.322000 
1 1 1  -42    8   25 o   10.970   0.2879   10.600   0.4036   11.350   0.4107 -0.7483000 0.5758000 
1 1 1  -42    8   26 o   3.5830   0.6492   3.9980   0.8403   3.1670   0.9900 0.8318000 1.298000 
1 1 1  -42    8   27 o   5.5110   0.4623   5.5270   0.6355   5.4950   0.6716 0.3262000E-01 0.9246000 
1 1 1  -42    8   28 o   3.2780   0.7699   2.9060   1.0380   3.6490   1.1370 -0.7431000 1.540000 
1 1 1  -42    8   29 o   6.5970   0.4175   7.0280   0.5243   6.1670   0.6497 0.8610000 0.8349000 
1 1 1  -42   10    1 o   9.4910   0.2936   9.6490   0.4485   9.3320   0.3790 0.3172000 0.5872000 
1 1 1  -42   10    2 o   5.3300   0.5021   5.0150   0.8163   5.6440   0.5848 -0.6291000 1.004000 
1 1 1  -42   10    3 o   13.080   0.1839   13.250   0.2709   12.900   0.2487 0.3458000 0.3677000 
1 1 1  -42   10    4 o   18.460   0.1786   18.730   0.2792   18.200   0.2230 0.5364000 0.3573000 
1 1 1  -42   10    5 o   8.7510   0.2415   9.3180   0.3603   8.1840   0.3215 1.133000 0.4829000 
1 1 1  -42   10    6 o   7.2260   0.3517   7.0620   0.6145   7.3900   0.3423 -0.3283000 0.7034000 
1 1 1  -42   10    7 o   15.590   0.1886   15.450   0.3071   15.720   0.2192 -0.2645000 0.3773000 
1 1 1  -42   10    8 o   11.320   0.2056   11.450   0.3220   11.190   0.2557 0.2508000 0.4111000 
1 1 1  -42   10    9 o   28.580   0.1897   28.360   0.2883   28.810   0.2467 -0.4418000 0.3795000 
1 1 1  -42   10   10 o   14.040   0.1853   14.120   0.2862   13.970   0.2356 0.1507000 0.3707000 
1 1 1  -42   10   11 o   9.6460   0.2263   9.8470   0.3454   9.4450   0.2926 0.4026000 0.4527000 
1 1 1  -42   10   12 o   27.800   0.1890   27.670   0.2885   27.940   0.2443 -0.2692000 0.3780000 
1 1 1  -42   10   13 f   15.930   0.1924   15.910   0.2768   15.950   0.2672 -0.4947000E-01 0.3847000 
1 1 1  -42   10   14 o   5.4680   0.4150   5.8200   0.5640   5.1160   0.6091 0.7038000 0.8301000 
1 1 1  -42   10   15 o   11.230   0.2334   11.440   0.3331   11.020   0.3270 0.4202000 0.4668000 
1 1 1  -42   10   16 o   9.9050   0.3102   10.250   0.4340   9.5580   0.4432 0.6927000 0.6203000 
1 1 1  -42   10   17 o   13.270   0.2641   13.020   0.3786   13.520   0.3682 -0.4971000 0.5281000 
1 1 1  -42   10   18 o   9.5390   0.2705   9.5710   0.3901   9.5060   0.3748 0.6458000E-01 0.5410000 
1 1 1  -42   10   19 o   11.420   0.2194   11.480   0.2873   11.350   0.3315 0.1269000 0.4387000 
1 1 1  -42   10   20 o   16.600   0.1900   16.570   0.2486   16.630   0.2873 -0.5587000E-01 0.3799000 
1 1 1  -42   10   21 o   14.490   0.2022   14.540   0.2663   14.450   0.3043 0.8958000E-01 0.4043000 
1 1 1  -42   10   22 o   27.340   0.2023   27.460   0.2652   27.210   0.3056 0.2529000 0.4046000 
1 1 1  -42   10   23 o   5.4300   0.5792   5.8270   0.8362   5.0330   0.8016 0.7949000 1.158000 
1 1 1  -42   10   24 o   13.300   0.2258   13.470   0.3021   13.130   0.3356 0.3400000 0.4516000 
1 1 1  -42   10   25 o   4.7710   0.5302   4.6730   0.7520   4.8690   0.7478 -0.1957000 1.060000 
1 1 1  -42   10   26 o   5.0000   0.5353   4.8490   0.7602   5.1500   0.7540 -0.3012000 1.071000 
1 1 1  -42   10   27 o   4.5250   0.5937   5.1570   0.7095   3.8940   0.9521 1.263000 1.187000 
1 1 1  -42   10   28 o   6.0220   0.5567   6.1440   0.7094   5.8990   0.8581 0.2450000 1.113000 
1 1 1  -42   10   29 o   6.6100   0.4472   5.7400   0.7020   7.4800   0.5540 -1.741000 0.8943000 
1 1 1  -42   12    1 o   14.760   0.2155   15.260   0.3175   14.250   0.2914 1.017000 0.4309000 
1 1 1  -42   12    2 o   18.200   0.2033   18.170   0.3061   18.220   0.2677 -0.4867000E-01 0.4066000 
1 1 1  -42   12    3 o   8.6140   0.2607   8.8410   0.3820   8.3870   0.3548 0.4531000 0.5213000 
1 1 1  -42   12    4 o   3.9500   0.5373   4.3050   0.7438   3.5960   0.7754 0.7090000 1.075000 
1 1 1  -42   12    5 o   7.6610   0.3191   7.6620   0.4645   7.6590   0.4376 0.2639000E-02 0.6382000 
1 1 1  -42   12    6 o   17.330   0.2205   16.940   0.3458   17.720   0.2737 -0.7821000 0.4410000 
1 1 1  -42   12    7 o   26.220   0.2740   26.170   0.4648   26.260   0.2903 -0.8573000E-01 0.5480000 
1 1 1  -42   12    8 o   23.860   0.2605   23.610   0.4381   24.110   0.2821 -0.5007000 0.5211000 
1 1 1  -42   12    9 o   30.030   0.2179   29.970   0.3084   30.090   0.3078 -0.1191000 0.4358000 
1 1 1  -42   12   10 o   33.560   0.2322   33.220   0.3288   33.900   0.3279 -0.6777000 0.4644000 
1 1 1  -42   12   11 o   12.230   0.2427   12.110   0.3781   12.350   0.3043 -0.2348000 0.4853000 
1 1 1  -42   12   12 o   4.1570   0.6362   4.3090   0.9580   4.0050   0.8375 0.3043000 1.272000 
1 1 1  -42   12   13 o   13.780   0.2339   13.850   0.3659   13.710   0.2913 0.1429000 0.4677000 
1 1 1  -42   12   14 o   10.040   0.2480  10.0000   0.3878   10.090   0.3090 -0.8512000E-01 0.4959000 
1 1 1  -42   12   15 o   10.390   0.2410   10.360   0.3783   10.430   0.2989 -0.6514000E-01 0.4821000 
1 1 1  -42   12   16 o   12.820   0.2286   13.120   0.3238   12.530   0.3229 0.5947000 0.4573000 
1 1 1  -42   12   17 o   9.4080   0.2894   9.4130   0.4223   9.4030   0.3958 0.1008000E-01 0.5788000 
1 1 1  -42   12   18 o   7.5770   0.3421   7.4480   0.5071   7.7060   0.4594 -0.2587000 0.6842000 
1 1 1  -42   12   19 o   6.7300   0.3799   6.5890   0.5635   6.8700   0.5096 -0.2813000 0.7597000 
1 1 1  -42   12   20 o   5.7140   0.4666   6.2480   0.6142   5.1790   0.7026 1.069000 0.9332000 
1 1 1  -42   12   21 o   9.7610   0.3494   9.9730   0.5180   9.5490   0.4692 0.4244000 0.6989000 
1 1 1  -42   12   22 o   3.3620   0.7314   2.8760   1.1080   3.8490   0.9553 -0.9732000 1.463000 
1 1 1  -42   12   23 f   9.3270   0.2935   9.4020   0.3870   9.2530   0.4414 0.1488000 0.5870000 
1 1 1  -42   12   24 o   14.480   0.2245   14.470   0.3001   14.480   0.3340 -0.5812000E-02 0.4490000 
1 1 1  -42   12   25 o   6.0580   0.4310   5.8440   0.6007   6.2720   0.6181 -0.4282000 0.8619000 
1 1 1  -42   12   26 o   9.5990   0.2979   9.1040   0.4225   10.090   0.4200 -0.9885000 0.5957000 
1 1 1  -42   12   28 o   6.5070   0.6439   6.1940   0.7555   6.8190   1.0430 -0.6249000 1.288000 
1 1 1  -42   14    1 o   5.6650   0.4299   6.3170   0.5704   5.0130   0.6433 1.304000 0.8597000 
1 1 1  -42   14    2 o   13.250   0.2152   13.180   0.3239   13.310   0.2836 -0.1362000 0.4305000 
1 1 1  -42   14    3 o   3.1490   0.6478   3.7620   0.9144   2.5350   0.9180 1.227000 1.296000 
1 1 1  -42   14    4 o   7.6540   0.3064   7.4580   0.4652   7.8510   0.3990 -0.3930000 0.6129000 
1 1 1  -42   14    5 o   7.4120   0.2938   7.7180   0.4018   7.1060   0.4287 0.6127000 0.5875000 
1 1 1  -42   14    6 o   5.9210   0.3664   5.7900   0.5435   6.0530   0.4915 -0.2636000 0.7328000 
1 1 1  -42   14    7 o   12.140   0.2568   12.540   0.4225   11.740   0.2920 0.7919000 0.5136000 
1 1 1  -42   14    8 o   8.7610   0.3679   9.0010   0.6402   8.5210   0.3628 0.4793000 0.7359000 
1 1 1  -42   14    9 o   14.550   0.2695   14.870   0.4694   14.220   0.2652 0.6466000 0.5391000 
1 1 1  -42   14   10 o   15.630   0.2030   15.170   0.3168   16.100   0.2538 -0.9318000 0.4059000 
1 1 1  -42   14   11 o   18.010   0.1947   18.040   0.3026   17.980   0.2453 0.5498000E-01 0.3895000 
1 1 1  -42   14   12 o   4.2940   0.5506   4.8120   0.7795   3.7770   0.7779 1.035000 1.101000 
1 1 1  -42   14   13 o   9.5530   0.2724   9.4840   0.4235   9.6230   0.3425 -0.1398000 0.5447000 
1 1 1  -42   14   14 o   11.660   0.2346   11.590   0.3670   11.720   0.2924 -0.1325000 0.4693000 
1 1 1  -42   14   15 o   10.860   0.2479   10.810   0.3873   10.910   0.3095 -0.1036000 0.4958000 
1 1 1  -42   14   16 o   8.6930   0.2943   8.2960   0.4740   9.0890   0.3489 -0.7923000 0.5886000 
1 1 1  -42   14   17 o   15.080   0.2465   15.320   0.3941   14.840   0.2961 0.4817000 0.4929000 
1 1 1  -42   14   18 o   9.6700   0.3638   9.6360   0.5387   9.7040   0.4891 -0.6866000E-01 0.7276000 
1 1 1  -42   14   19 o   5.2940   0.5210   5.1640   0.7699   5.4240   0.7020 -0.2601000 1.042000 
1 1 1  -42   14   20 o   10.370   0.3236   10.310   0.5095   10.420   0.3992 -0.1093000 0.6473000 
1 1 1  -42   14   21 o   12.160   0.2954   12.140   0.4660   12.170   0.3633 -0.3143000E-01 0.5909000 
1 1 1  -42   14   22 o   8.4720   0.3515   7.8000   0.5389   9.1440   0.4513 -1.344000 0.7029000 
1 1 1  -42   14   23 o   9.2270   0.3316   9.1620   0.4738   9.2910   0.4641 -0.1287000 0.6632000 
1 1 1  -42   14   24 o   7.2610   0.4108   7.4720   0.5641   7.0500   0.5975 0.4216000 0.8217000 
1 1 1  -42   14   25 o   8.1200   0.3822   8.4450   0.5195   7.7950   0.5608 0.6496000 0.7644000 
1 1 1  -42   14   26 o   5.4350   0.6540   6.1730   0.7224   4.6970   1.0900 1.476000 1.308000 
1 1 1  -42   16    1 o   6.0840   0.4688   6.9910   0.5866   5.1770   0.7315 1.813000 0.9376000 
1 1 1  -42   16    2 o   10.270   0.2656   10.150   0.3977   10.390   0.3522 -0.2421000 0.5312000 
1 1 1  -42   16    3 o   5.7160   0.4329   5.5490   0.6462   5.8840   0.5762 -0.3352000 0.8658000 
1 1 1  -42   16    4 o   9.2640   0.2827   9.0960   0.4218   9.4330   0.3765 -0.3364000 0.5654000 
1 1 1  -42   16    5 o   8.9860   0.2728   9.3040   0.3731   8.6680   0.3982 0.6354000 0.5457000 
1 1 1  -42   16    6 o   6.5800   0.3462   6.5570   0.5076   6.6020   0.4708 -0.4517000E-01 0.6923000 
1 1 1  -42   16    7 o   8.3800   0.2752   8.7940   0.3717   7.9660   0.4060 0.8279000 0.5505000 
1 1 1  -42   16    8 o   9.4220   0.2799   9.6640   0.4250   9.1790   0.3645 0.4853000 0.5599000 
1 1 1  -42   16    9 o   11.900   0.3226   11.710   0.5694   12.090   0.3034 -0.3866000 0.6452000 
1 1 1  -42   16   10 o   8.2090   0.4339   7.5620   0.7808   8.8560   0.3785 -1.294000 0.8677000 
1 1 1  -42   16   11 o   14.920   0.2372   15.040   0.3880   14.790   0.2731 0.2470000 0.4745000 
1 1 1  -42   16   12 f   8.1090   0.3886   8.0740   0.6451   8.1440   0.4336 -0.7022000E-01 0.7772000 
1 1 1  -42   16   13 o   9.9400   0.3194   10.480   0.5057   9.4040   0.3903 1.072000 0.6388000 
1 1 1  -42   16   14 o   2.1870   0.6771   2.5140   1.0550   1.8590   0.8486 0.6548000 1.354000 
1 1 1  -42   16   15 o   12.690   0.2373   12.950   0.3571   12.430   0.3125 0.5245000 0.4745000 
1 1 1  -42   16   16 o   4.0210   0.6331   3.6310   1.0160   4.4100   0.7553 -0.7788000 1.266000 
1 1 1  -42   16   17 o   14.110   0.2448   14.160   0.3456   14.050   0.3467 0.1077000 0.4896000 
1 1 1  -42   16   18 o   8.4910   0.3938   8.1860   0.6290   8.7950   0.4742 -0.6094000 0.7877000 
1 1 1  -42   16   19 o   4.8120   0.5623   5.3090   0.7914   4.3140   0.7989 0.9942000 1.125000 
1 1 1  -42   16   20 o   5.3880   0.5509   4.8340   0.8560   5.9410   0.6938 -1.107000 1.102000 
1 1 1  -42   16   21 o   1.9450   0.6278   1.7130   0.8197   2.1770   0.9510 -0.4639000 1.256000 
1 1 1  -42   16   22 o   4.6270   0.6434   4.3300   0.9776   4.9240   0.8366 -0.5939000 1.287000 
1 1 1  -42   16   23 o   4.4730   0.6680   4.8150   0.8913   4.1320   0.9952 0.6826000 1.336000 
1 1 1  -42   16   24 o   2.5070   0.6983   3.1730   1.0810   1.8400   0.8847 1.333000 1.397000 
1 1 1  -42   16   25 o   7.5460   0.4245   6.8200   0.6702   8.2720   0.5213 -1.452000 0.8491000 
1 1 1  -42   18    1 o   3.7030   0.8072   3.3620   1.1980   4.0450   1.0830 -0.6834000 1.614000 
1 1 1  -42   18    2 o   3.4820   0.7877   3.0140   1.1510   3.9510   1.0750 -0.9378000 1.575000 
1 1 1  -42   18    3 o   3.7200   0.6787   4.0080   0.9526   3.4320   0.9671 0.5766000 1.357000 
1 1 1  -42   18    4 o   5.2770   0.4652   5.3880   0.6323   5.1670   0.6824 0.2208000 0.9303000 
1 1 1  -42   18    5 o   3.8460   0.6315   3.4830   0.9475   4.2090   0.8352 -0.7256000 1.263000 
1 1 1  -42   18    6 o   5.6710   0.4256   5.8620   0.5775   5.4800   0.6252 0.3823000 0.8511000 
1 1 1  -42   18    7 o   4.6580   0.5203   5.1500   0.6521   4.1650   0.8109 0.9842000 1.041000 
1 1 1  -42   18    8 o   10.760   0.2696   10.800   0.4123   10.720   0.3474 0.8203000E-01 0.5391000 
1 1 1  -42   18    9 o   13.170   0.2414   13.130   0.3725   13.220   0.3070 -0.9651000E-01 0.4827000 
1 1 1  -42   18   10 o   7.9410   0.4561   7.9090   0.7999   7.9720   0.4383 -0.6312000E-01 0.9121000 
1 1 1  -42   18   11 f   2.6590   0.7707   3.3800   1.2800   1.9390   0.8581 1.441000 1.541000 
1 1 1  -42   18   12 o   9.0450   0.3357   9.2390   0.5354   8.8520   0.4051 0.3872000 0.6714000 
1 1 1  -42   18   13 o   5.2810   0.5778   4.8140   0.8990   5.7470   0.7260 -0.9329000 1.156000 
1 1 1  -42   18   14 o   12.920   0.3073   12.570   0.4867   13.270   0.3754 -0.6992000 0.6147000 
1 1 1  -42   18   15 o   4.1900   0.7695   4.7700   1.1010   3.6100   1.0750 1.160000 1.539000 
1 1 1  -42   18   16 o   2.2090   0.6719   2.2470   0.9751   2.1700   0.9247 0.7690000E-01 1.344000 
1 1 1  -42   18   17 o   4.2320   0.6515   4.0320   1.0080   4.4310   0.8261 -0.3986000 1.303000 
1 1 1  -42   18   18 o   3.1350   0.7114   3.8060   1.0460   2.4650   0.9649 1.342000 1.423000 
1 1 1  -42   18   19 o   3.1750   0.6828   2.4400   1.0120   3.9090   0.9171 -1.468000 1.366000 
1 1 1  -42   18   20 o   4.1010   0.6656   5.0020   0.8790   3.2000   0.9998 1.803000 1.331000 
1 1 1  -42   18   21 o   2.6550   0.7191   2.7090   1.0480   2.6000   0.9843 0.1091000 1.438000 
1 1 1  -42   18   22 o   2.2180   0.7027   2.0160   0.9173   2.4190   1.0650 -0.4034000 1.405000 
1 1 1  -42   18   23 o   3.7120   0.7537   3.3150   1.1010   4.1090   1.0300 -0.7938000 1.507000 
1 1 1  -42   20    1 o   8.5590   0.3454   8.5170   0.5199   8.6020   0.4550 -0.8526000E-01 0.6909000 
1 1 1  -42   20    2 o   3.2880   0.7361   3.2250   1.0730   3.3500   1.0080 -0.1247000 1.472000 
1 1 1  -42   20    3 o   2.5330   0.7118   2.7090   1.0510   2.3560   0.9596 0.3530000 1.424000 
1 1 1  -42   20    4 o   3.9680   0.6565   3.5380   1.0000   4.3970   0.8507 -0.8595000 1.313000 
1 1 1  -42   20    5 o   3.5510   0.6795   3.0040   1.0200   4.0980   0.8983 -1.095000 1.359000 
1 1 1  -42   20    6 o   5.2690   0.5123   4.7080   0.8029   5.8290   0.6364 -1.120000 1.025000 
1 1 1  -42   20    7 o   3.5030   0.6331   2.5400   0.9735   4.4660   0.8097 -1.925000 1.266000 
1 1 1  -42   20    8 o   8.0290   0.3696   7.9000   0.5837   8.1580   0.4535 -0.2581000 0.7392000 
1 1 1  -42   20    9 o   6.4960   0.4452   6.8820   0.6529   6.1110   0.6054 0.7711000 0.8904000 
1 1 1  -42   20   10 f   2.2870   0.6741   2.8030   1.0700   1.7710   0.8206 1.032000 1.348000 
1 1 1  -42   20   11 o   3.1540   0.8419   4.0620   1.4040   2.2460   0.9290 1.815000 1.684000 
1 1 1  -42   20   12 o   3.7870   0.8360   4.1260   1.3700   3.4480   0.9583 0.6778000 1.672000 
1 1 1  -42   20   13 o   4.4830   0.6935   4.2720   1.1420   4.6940   0.7870 -0.4221000 1.387000 
1 1 1  -42   20   14 o   4.4160   0.6448   4.4370   0.9818   4.3950   0.8360 0.4205000E-01 1.290000 
1 1 1  -42   20   15 o   7.8650   0.3670   8.1910   0.5496   7.5380   0.4865 0.6535000 0.7340000 
1 1 1  -42   20   16 o   6.9780   0.4174   6.8760   0.6461   7.0800   0.5288 -0.2032000 0.8349000 
1 1 1  -42   20   17 o   2.4950   0.7060   2.2900   0.9868   2.7000   1.0100 -0.4097000 1.412000 
1 1 1  -42   20   18 o   3.2960   0.7457   3.0580   1.1020   3.5340   1.0050 -0.4754000 1.491000 
1 1 1  -42   20   19 o   2.8660   0.7505   2.4920   1.0310   3.2400   1.0910 -0.7479000 1.501000 
1 1 1  -42   20   20 o   2.2120   0.6655   1.5810   0.7752   2.8430   1.0820 -1.262000 1.331000 
1 1 1  -42   20   21 o   7.9340   0.8012   8.0010   1.1030   7.8680   1.1620 0.1325000 1.602000 
1 1 1  -42   22    1 f   7.4080   0.5342   6.9470   0.8647   7.8700   0.6274 -0.9231000 1.068000 
1 1 1  -42   22    2 f   5.5360   0.5622   4.9460   0.9150   6.1270   0.6537 -1.180000 1.124000 
1 1 1  -42   22    3 o   4.8020   0.6266   4.7950   0.9450   4.8090   0.8232 -0.1468000E-01 1.253000 
1 1 1  -42   22    4 o   2.4850   0.7042   2.4860   0.9998   2.4850   0.9919 0.1179000E-02 1.408000 
1 1 1  -42   22    5 o   2.9280   0.7115   3.4760   1.0350   2.3790   0.9762 1.097000 1.423000 
1 1 1  -42   22    6 o   3.0630   0.7171   3.4810   1.0280   2.6440   1.0000 0.8368000 1.434000 
1 1 1  -42   22    7 f   2.4680   0.6887   2.3150   0.9607   2.6210   0.9871 -0.3060000 1.377000 
1 1 1  -42   22    8 o   2.1650   0.6644   1.9970   0.9250   2.3340   0.9540 -0.3367000 1.329000 
1 1 1  -42   22    9 o   3.9350   0.7180   4.0530   1.0810   3.8160   0.9456 0.2367000 1.436000 
1 1 1  -42   22   10 o   7.4560   0.4101   7.4080   0.6395   7.5050   0.5136 -0.9714000E-01 0.8202000 
1 1 1  -42   22   11 o   6.6430   0.4506   6.5570   0.7043   6.7300   0.5622 -0.1729000 0.9012000 
1 1 1  -42   22   12 o   2.2710   0.7137   2.2250   1.0600   2.3180   0.9557 -0.9210000E-01 1.427000 
1 1 1  -42   22   13 o   8.3400   0.5472   7.4820   1.0030   9.1990   0.4380 -1.718000 1.094000 
1 1 1  -42   22   14 o   2.6910   0.7423   3.5730   1.2110   1.8090   0.8594 1.764000 1.485000 
1 1 1  -42   22   15 f   1.9290   0.6364   1.9090   0.8948   1.9490   0.9052 -0.4041000E-01 1.273000 
1 1 1  -42   22   16 o   7.1780   0.5581   7.3780   0.7578   6.9790   0.8196 0.3991000 1.116000 
1 1 1  -42   22   17 o   2.4960   0.7342   3.1980   1.1900   1.7940   0.8607 1.405000 1.468000 
1 1 1  -42   22   18 o   1.9910   0.9989   1.9910   0.9989  ?   ?       ?      ? 
1 1 1  -42   24    1 f   5.8620   0.5560   5.8610   0.8364   5.8630   0.7328 -0.2333000E-02 1.112000 
1 1 1  -42   24    2 o   1.9370   0.6415   2.2000   0.9902   1.6740   0.8159 0.5259000 1.283000 
1 1 1  -42   24    3 o   4.6980   0.7682   5.0980   1.0920   4.2990   1.0810 0.7986000 1.536000 
1 1 1  -42   24    4 o   6.7770   0.5210   7.3710   0.6929   6.1840   0.7781 1.187000 1.042000 
1 1 1  -42   24    5 o   5.9670   0.5762   6.1460   0.8137   5.7870   0.8162 0.3582000 1.152000 
1 1 1  -42   24    6 o   2.4050   0.7159   1.9760   0.9252   2.8340   1.0930 -0.8580000 1.432000 
1 1 1  -42   24    7 o   5.2510   0.6293   5.5610   0.8431   4.9400   0.9346 0.6205000 1.259000 
1 1 1  -42   24    8 o   5.9090   0.6316   6.0000   0.9735   5.8190   0.8049 0.1806000 1.263000 
1 1 1  -42   24    9 o   2.4600   0.7313   2.0690   0.9761   2.8520   1.0890 -0.7830000 1.463000 
1 1 1  -42   24   10 o   1.8150   0.6181   1.7860   0.8746   1.8430   0.8737 -0.5632000E-01 1.236000 
1 1 1  -42   24   11 o   6.1720   0.5285   5.7480   0.8543   6.5960   0.6226 -0.8482000 1.057000 
1 1 1  -42   24   12 o   3.2030   0.8062   4.0980   1.2860   2.3090   0.9722 1.790000 1.612000 
1 1 1  -42   24   13 o   2.7330   0.7992   2.6300   1.2070   2.8360   1.0480 -0.2064000 1.598000 
1 1 1  -41    1    1 o   7.0550   0.3322   6.2230   0.5639   7.8870   0.3514 -1.664000 0.6644000 
1 1 1  -41    1    2 o   31.090   0.2189   30.680   0.3374   31.500   0.2791 -0.8222000 0.4379000 
1 1 1  -41    1    3 o   9.0650   0.1857   9.0060   0.2834   9.1240   0.2401 -0.1185000 0.3714000 
1 1 1  -41    1    4 o   5.7900   0.2955  ?   ?    5.7900   0.2955      ?      ? 
1 1 1  -41    1    5 o   16.840   0.2169  ?   ?    16.840   0.2169      ?      ? 
1 1 1  -41    1    6 o   31.640   0.3362  ?   ?    31.640   0.3362      ?      ? 
1 1 1  -41    1    7 o   30.110   0.3205  ?   ?    30.110   0.3205      ?      ? 
1 1 1  -41    1    9 o   38.630   0.3466   38.290   0.5627   38.970   0.4049 -0.6763000 0.6932000 
1 1 1  -41    1   10 f   35.300   0.2270   34.740   0.2567   35.850   0.3744 -1.114000 0.4539000 
1 1 1  -41    1   11 o   16.560   0.1279   16.760   0.1665   16.350   0.1941 0.4090000 0.2557000 
1 1 1  -41    1   12 o   20.580   0.1408   20.500   0.2142   20.670   0.1828 -0.1732000 0.2816000 
1 1 1  -41    1   13 o   9.7520   0.1506   9.8970   0.2126   9.6060   0.2133 0.2910000 0.3012000 
1 1 1  -41    1   14 o   12.580   0.1380   12.380   0.1989   12.780   0.1913 -0.4001000 0.2760000 
1 1 1  -41    1   15 o   43.040   0.2599   42.960   0.3674   43.120   0.3677 -0.1582000 0.5198000 
1 1 1  -41    1   16 o   5.7340   0.3153   5.4990   0.4533   5.9690   0.4384 -0.4700000 0.6306000 
1 1 1  -41    1   17 o   15.720   0.1447   15.690   0.2055   15.760   0.2038 -0.6938000E-01 0.2894000 
1 1 1  -41    1   18 o   12.840   0.1608   13.010   0.2271   12.680   0.2277 0.3382000 0.3216000 
1 1 1  -41    1   19 o   9.0970   0.2083   9.2290   0.2931   8.9660   0.2961 0.2635000 0.4166000 
1 1 1  -41    1   20 o   17.670   0.1549   17.640   0.2200   17.710   0.2182 -0.6501000E-01 0.3099000 
1 1 1  -41    1   21 o   21.460   0.1592   21.450   0.2248   21.480   0.2255 -0.3170000E-01 0.3184000 
1 1 1  -41    1   22 o   13.430   0.1897   13.220   0.2568   13.650   0.2792 -0.4260000 0.3794000 
1 1 1  -41    1   23 o   12.920   0.2129   13.380   0.2999   12.470   0.3023 0.9062000 0.4258000 
1 1 1  -41    1   24 o   14.100   0.2619   14.200   0.3741   14.000   0.3666 0.2033000 0.5238000 
1 1 1  -41    1   25 o   12.930   0.2150   12.950   0.2845   12.910   0.3225 0.3860000E-01 0.4301000 
1 1 1  -41    1   26 o   11.440   0.2733   11.860   0.3053   11.030   0.4535 0.8232000 0.5467000 
1 1 1  -41    1   27 o   15.490   0.2079   15.220   0.2757   15.760   0.3113 -0.5357000 0.4158000 
1 1 1  -41    1   28 o   19.080   0.3187   19.020   0.3784   19.140   0.5131 -0.1221000 0.6375000 
1 1 1  -41    1   29 o   5.7720   0.4542   5.8660   0.5965   5.6790   0.6852 0.1863000 0.9085000 
1 1 1  -41    1   30 o   5.5590   0.4886   5.7760   0.6276   5.3410   0.7489 0.4347000 0.9771000 
1 1 1  -41    1   31 o   10.980   0.2793   10.880   0.3776   11.080   0.4116 -0.2015000 0.5585000 
1 1 1  -41    3    1 o   20.600   0.1861   19.720   0.2903   21.480   0.2329 -1.757000 0.3722000 
1 1 1  -41    3    2 o   15.610   0.2113   16.070   0.3309   15.160   0.2628 0.9145000 0.4226000 
1 1 1  -41    3    3 o   26.030   0.2243   25.860   0.3944   26.200   0.2139 -0.3421000 0.4487000 
1 1 1  -41    3    4 o   13.220   0.2416   13.210   0.4550   13.230   0.1628 -0.2862000E-01 0.4833000 
1 1 1  -41    3    5 o   41.580   0.3799   41.680   0.6218   41.480   0.4367 0.2034000 0.7599000 
1 1 1  -41    3    6 o   28.480   0.2824   28.970   0.4651   27.980   0.3206 0.9882000 0.5649000 
1 1 1  -41    3    7 o   37.940   0.3489   37.810   0.5689   38.060   0.4039 -0.2501000 0.6977000 
1 1 1  -41    3    8 o   25.350   0.2128   25.670   0.3018   25.040   0.3002 0.6234000 0.4256000 
1 1 1  -41    3    9 o   28.100   0.2269   28.100   0.3197   28.110   0.3221 -0.3078000E-02 0.4538000 
1 1 1  -41    3   10 o   10.470   0.1807  ?   ?    10.470   0.1807      ?      ? 
1 1 1  -41    3   11 o   14.660   0.1305   14.760   0.1705   14.550   0.1977 0.2129000 0.2611000 
1 1 1  -41    3   12 o   35.530   0.2188   35.790   0.3115   35.260   0.3075 0.5292000 0.4377000 
1 1 1  -41    3   13 o   12.010   0.1757   12.550   0.2282   11.480   0.2671 1.065000 0.3513000 
1 1 1  -41    3   14 o   36.910   0.2532   37.290   0.3248   36.530   0.3887 0.7644000 0.5065000 
1 1 1  -41    3   15 o   17.100   0.1516   17.030   0.1993   17.180   0.2286 -0.1574000 0.3033000 
1 1 1  -41    3   16 o   9.4660   0.2472   9.4970   0.3042   9.4360   0.3898 0.6052000E-01 0.4945000 
1 1 1  -41    3   17 o   19.870   0.1705   19.930   0.2416   19.800   0.2407 0.1295000 0.3411000 
1 1 1  -41    3   18 o   14.240   0.1683   14.280   0.2208   14.210   0.2540 0.6681000E-01 0.3365000 
1 1 1  -41    3   19 o   10.830   0.1988   10.850   0.2648   10.810   0.2965 0.4014000E-01 0.3975000 
1 1 1  -41    3   20 o   14.010   0.1778   13.920   0.2344   14.110   0.2676 -0.1919000 0.3557000 
1 1 1  -41    3   21 o   9.9500   0.2211   10.040   0.2922   9.8660   0.3319 0.1697000 0.4422000 
1 1 1  -41    3   22 o   17.600   0.1775   17.540   0.2358   17.660   0.2653 -0.1142000 0.3549000 
1 1 1  -41    3   23 o   7.8950   0.3402   8.1490   0.4197   7.6410   0.5355 0.5077000 0.6804000 
1 1 1  -41    3   24 o   11.660   0.2342   11.880   0.3356   11.450   0.3267 0.4294000 0.4683000 
1 1 1  -41    3   25 o   5.4130   0.4262   5.4670   0.5584   5.3590   0.6440 0.1081000 0.8524000 
1 1 1  -41    3   26 o   5.7860   0.4121   5.7090   0.5547   5.8640   0.6096 -0.1546000 0.8242000 
1 1 1  -41    3   27 o   12.650   0.2656   12.740   0.3573   12.570   0.3929 0.1636000 0.5311000 
1 1 1  -41    3   28 o   11.950   0.2471   11.810   0.3250   12.080   0.3723 -0.2631000 0.4942000 
1 1 1  -41    3   29 o   2.8450   0.7240   3.3960   1.0250   2.2950   1.0230 1.101000 1.448000 
1 1 1  -41    3   30 o   6.1280   0.4357   6.2660   0.5907   5.9900   0.6405 0.2765000 0.8713000 
1 1 1  -41    3   31 f   3.0640   0.7216   2.7880   1.0060   3.3390   1.0350 -0.5512000 1.443000 
1 1 1  -41    5    1 f   20.250   0.1563   19.910   0.2289   20.580   0.2130 -0.6638000 0.3127000 
1 1 1  -41    5    2 o   20.750   0.1831   20.700   0.2878   20.810   0.2265 -0.1131000 0.3662000 
1 1 1  -41    5    3 o   13.430   0.2157   13.750   0.3226   13.120   0.2864 0.6330000 0.4313000 
1 1 1  -41    5    4 o   33.750   0.2889   33.760   0.4978   33.740   0.2933 0.1279000E-01 0.5778000 
1 1 1  -41    5    5 o   10.300   0.1603  ?   ?    10.300   0.1603      ?      ? 
1 1 1  -41    5    6 o   24.670   0.2794   24.160   0.4550   25.190   0.3246 -1.030000 0.5589000 
1 1 1  -41    5    7 o   7.4710   0.3430   7.3270   0.4825   7.6150   0.4876 -0.2884000 0.6860000 
1 1 1  -41    5    8 o   45.220   0.4769  ?   ?    45.220   0.4769      ?      ? 
1 1 1  -41    5    9 o   23.550   0.3071   23.280   0.4358   23.820   0.4327 -0.5384000 0.6141000 
1 1 1  -41    5   10 o   18.050   0.1541   18.040   0.2451   18.060   0.1870 -0.2187000E-01 0.3083000 
1 1 1  -41    5   11 o   29.800   0.2110   29.880   0.2672   29.720   0.3267 0.1615000 0.4221000 
1 1 1  -41    5   12 o   8.3440   0.2095   8.6810   0.2922   8.0070   0.3002 0.6744000 0.4189000 
1 1 1  -41    5   13 o   33.940   0.2012   33.820   0.2620   34.070   0.3055 -0.2526000 0.4024000 
1 1 1  -41    5   14 o   14.470   0.1566   14.410   0.2100   14.520   0.2325 -0.1046000 0.3133000 
1 1 1  -41    5   15 o   26.710   0.1762   26.660   0.2321   26.750   0.2652 -0.8622000E-01 0.3524000 
1 1 1  -41    5   16 f   8.8740   0.2852   8.3010   0.3748   9.4470   0.4300 -1.146000 0.5704000 
1 1 1  -41    5   17 f   4.4290   0.4165   4.2080   0.5903   4.6500   0.5877 -0.4424000 0.8330000 
1 1 1  -41    5   18 o   27.230   0.1834   27.020   0.2394   27.440   0.2779 -0.4258000 0.3668000 
1 1 1  -41    5   19 f   14.380   0.1766   14.350   0.2362   14.410   0.2628 -0.6192000E-01 0.3533000 
1 1 1  -41    5   20 o   16.570   0.1735   16.870   0.2295   16.270   0.2602 0.6044000 0.3469000 
1 1 1  -41    5   21 o   3.4460   0.6236   3.5380   0.8734   3.3550   0.8904 0.1834000 1.247000 
1 1 1  -41    5   22 o   3.3350   0.6821   3.6290   0.8812   3.0410   1.0410 0.5879000 1.364000 
1 1 1  -41    5   23 o   6.0310   0.3674   6.1150   0.4927   5.9480   0.5453 0.1665000 0.7349000 
1 1 1  -41    5   24 o   19.850   0.1984   20.110   0.2868   19.590   0.2743 0.5268000 0.3969000 
1 1 1  -41    5   25 o   7.7670   0.3076   7.9480   0.4086   7.5870   0.4599 0.3607000 0.6152000 
1 1 1  -41    5   26 o   8.8920   0.3090   9.2380   0.4421   8.5470   0.4319 0.6902000 0.6180000 
1 1 1  -41    5   27 o   21.640   0.2300   21.640   0.3023   21.640   0.3468 0.1799000E-02 0.4601000 
1 1 1  -41    5   28 o   7.2600   0.3641   7.1700   0.4848   7.3490   0.5435 -0.1786000 0.7283000 
1 1 1  -41    5   29 o   10.730   0.3266   10.980   0.4017   10.480   0.5150 0.5034000 0.6531000 
1 1 1  -41    5   30 o   2.1220   0.6427   1.6650   0.7847   2.5800   1.0180 -0.9146000 1.285000 
1 1 1  -41    5   31 o   4.1310   1.4870   4.1310   1.4870  ?   ?       ?      ? 
1 1 1  -41    7    1 o   8.4880   0.2336   8.5690   0.3399   8.4070   0.3204 0.1616000 0.4671000 
1 1 1  -41    7    2 o   23.100   0.1646   22.870   0.2439   23.320   0.2211 -0.4541000 0.3292000 
1 1 1  -41    7    3 o   11.720   0.1677   11.570   0.2497   11.860   0.2240 -0.2894000 0.3355000 
1 1 1  -41    7    4 o   39.100   0.2742   39.400   0.4254   38.790   0.3461 0.6068000 0.5484000 
1 1 1  -41    7    5 o   39.090   0.3370   39.600   0.5803   38.570   0.3427 1.032000 0.6739000 
1 1 1  -41    7    6 o   12.540   0.1809   12.780   0.3048   12.300   0.1949 0.4775000 0.3618000 
1 1 1  -41    7    7 o   11.710   0.1654   11.700   0.2661   11.720   0.1964 -0.2225000E-01 0.3307000 
1 1 1  -41    7    8 o   17.510   0.1457   17.390   0.2236   17.640   0.1868 -0.2505000 0.2914000 
1 1 1  -41    7    9 o   15.350   0.1652   15.600   0.2311   15.100   0.2362 0.5008000 0.3305000 
1 1 1  -41    7   10 o   22.550   0.2027   22.580   0.3217   22.520   0.2466 0.6230000E-01 0.4054000 
1 1 1  -41    7   11 o   15.060   0.1906   15.010   0.3266   15.110   0.1966 -0.1085000 0.3812000 
1 1 1  -41    7   12 o   7.9890   0.2033   7.9270   0.2962   8.0510   0.2784 -0.1236000 0.4065000 
1 1 1  -41    7   13 o   12.180   0.1769   12.180   0.2314   12.170   0.2677 0.5103000E-02 0.3538000 
1 1 1  -41    7   14 o   26.600   0.1792   26.320   0.2327   26.870   0.2726 -0.5470000 0.3584000 
1 1 1  -41    7   15 o   7.9040   0.2548   8.0650   0.3265   7.7440   0.3913 0.3211000 0.5097000 
1 1 1  -41    7   16 o   7.8050   0.3432   8.6130   0.3765   6.9980   0.5740 1.615000 0.6865000 
1 1 1  -41    7   17 o   12.710   0.1847   12.480   0.2460   12.950   0.2755 -0.4623000 0.3693000 
1 1 1  -41    7   18 o   15.270   0.1770   15.270   0.2392   15.280   0.2609 -0.1499000E-01 0.3539000 
1 1 1  -41    7   19 o   7.2880   0.2907   7.3510   0.3954   7.2260   0.4262 0.1250000 0.5813000 
1 1 1  -41    7   20 o   7.0330   0.3717   7.0080   0.4818   7.0580   0.5663 -0.4999000E-01 0.7435000 
1 1 1  -41    7   21 o   7.0990   0.3110   7.0860   0.4204   7.1110   0.4583 -0.2475000E-01 0.6220000 
1 1 1  -41    7   22 o   7.1760   0.3192   7.8080   0.3915   6.5440   0.5043 1.264000 0.6384000 
1 1 1  -41    7   23 o   13.200   0.2093   13.110   0.2820   13.290   0.3094 -0.1868000 0.4186000 
1 1 1  -41    7   24 o   5.4110   0.4727   6.1730   0.5971   4.6490   0.7331 1.524000 0.9455000 
1 1 1  -41    7   25 o   2.1270   0.6582   2.1230   0.9306   2.1310   0.9311 -0.7740000E-02 1.316000 
1 1 1  -41    7   26 o   13.340   0.2401   13.420   0.2995   13.260   0.3754 0.1565000 0.4802000 
1 1 1  -41    7   27 o   10.120   0.2715   9.9180   0.3676   10.330   0.3997 -0.4117000 0.5430000 
1 1 1  -41    7   28 o   2.7730   0.7110   3.3890   1.0350   2.1580   0.9746 1.232000 1.422000 
1 1 1  -41    7   29 o   3.1860   0.6912   2.6730   0.9707   3.6980   0.9843 -1.025000 1.382000 
1 1 1  -41    7   30 o   3.8120   0.6912   3.4390   0.9897   4.1840   0.9650 -0.7449000 1.382000 
1 1 1  -41    9    1 o   9.0620   0.2451   8.8260   0.3709   9.2980   0.3205 -0.4716000 0.4902000 
1 1 1  -41    9    2 o   7.0740   0.3179   6.0120   0.4832   8.1360   0.4131 -2.123000 0.6357000 
1 1 1  -41    9    3 o   10.340   0.2419   9.9970   0.4036   10.680   0.2668 -0.6858000 0.4838000 
1 1 1  -41    9    4 o   19.670   0.1619   19.720   0.2421   19.620   0.2151 0.1007000 0.3238000 
1 1 1  -41    9    5 o   13.480   0.1665   13.680   0.2449   13.290   0.2256 0.3888000 0.3330000 
1 1 1  -41    9    6 o   13.510   0.1943   13.620   0.3194   13.390   0.2214 0.2328000 0.3887000 
1 1 1  -41    9    7 o   15.970   0.2082   15.570   0.3595   16.360   0.2103 -0.7885000 0.4165000 
1 1 1  -41    9    8 o   18.070   0.2153   18.200   0.3764   17.940   0.2092 0.2557000 0.4306000 
1 1 1  -41    9    9 o   16.720   0.1693   16.820   0.2613   16.630   0.2152 0.1916000 0.3386000 
1 1 1  -41    9   10 o   16.390   0.1689   16.480   0.2613   16.310   0.2142 0.1726000 0.3379000 
1 1 1  -41    9   11 o   6.1710   0.3273   6.1080   0.5203   6.2350   0.3974 -0.1271000 0.6547000 
1 1 1  -41    9   12 o   14.600   0.1784   14.460   0.2775   14.740   0.2241 -0.2743000 0.3567000 
1 1 1  -41    9   13 o   22.670   0.1738   22.780   0.2673   22.570   0.2221 0.2058000 0.3476000 
1 1 1  -41    9   14 o   9.1780   0.3055   9.4220   0.3625   8.9340   0.4917 0.4881000 0.6109000 
1 1 1  -41    9   15 o   9.7280   0.2528   9.9390   0.3589   9.5170   0.3560 0.4218000 0.5055000 
1 1 1  -41    9   16 f   16.880   0.1915   17.030   0.2760   16.730   0.2655 0.2985000 0.3829000 
1 1 1  -41    9   17 o   17.330   0.1774   17.580   0.2332   17.080   0.2673 0.4935000 0.3548000 
1 1 1  -41    9   18 o   8.1640   0.3351   8.6050   0.3902   7.7230   0.5450 0.8818000 0.6702000 
1 1 1  -41    9   19 o   14.870   0.1951   14.450   0.2547   15.290   0.2956 -0.8356000 0.3902000 
1 1 1  -41    9   20 o   24.790   0.1893   24.850   0.2477   24.740   0.2863 0.1075000 0.3786000 
1 1 1  -41    9   21 f   11.480   0.2200   11.580   0.2941   11.370   0.3271 0.2041000 0.4399000 
1 1 1  -41    9   22 o   19.340   0.1884   19.230   0.2543   19.440   0.2779 -0.2141000 0.3767000 
1 1 1  -41    9   23 o   13.250   0.2269   13.190   0.3282   13.300   0.3135 -0.1133000 0.4539000 
1 1 1  -41    9   24 f   4.4860   0.6540   4.6380   0.9097   4.3340   0.9400 0.3031000 1.308000 
1 1 1  -41    9   25 o   3.3200   0.6857   3.3310   0.9530   3.3090   0.9861 0.2103000E-01 1.371000 
1 1 1  -41    9   26 o   5.5930   0.4538   5.5990   0.6202   5.5870   0.6625 0.1227000E-01 0.9075000 
1 1 1  -41    9   27 o   10.370   0.2736   10.520   0.3670   10.230   0.4058 0.2886000 0.5471000 
1 1 1  -41    9   28 o   3.1290   0.7066   1.9860   0.9007   4.2730   1.0890 -2.287000 1.413000 
1 1 1  -41    9   29 o   1.6500   0.5579   1.5290   0.7415   1.7720   0.8339 -0.2429000 1.116000 
1 1 1  -41   11    1 o   9.3010   0.2482   9.4470   0.3669   9.1550   0.3344 0.2927000 0.4965000 
1 1 1  -41   11    2 o   12.350   0.2015   12.570   0.2992   12.130   0.2700 0.4358000 0.4031000 
1 1 1  -41   11    3 o   17.800   0.2155   17.660   0.3318   17.940   0.2751 -0.2803000 0.4310000 
1 1 1  -41   11    4 f   2.8110   0.7050   2.7730   1.0430   2.8490   0.9488 -0.7596000E-01 1.410000 
1 1 1  -41   11    5 o   25.030   0.1686   25.040   0.2383   25.020   0.2386 0.1770000E-01 0.3373000 
1 1 1  -41   11    6 o   7.6160   0.2539   7.3650   0.3718   7.8670   0.3458 -0.5025000 0.5077000 
1 1 1  -41   11    7 o   6.4150   0.3463   6.4790   0.5492   6.3520   0.4220 0.1267000 0.6926000 
1 1 1  -41   11    8 o   6.3440   0.4125   6.7890   0.6887   5.8980   0.4541 0.8913000 0.8249000 
1 1 1  -41   11    9 o   5.6470   0.4902   5.4290   0.8646   5.8650   0.4620 -0.4366000 0.9803000 
1 1 1  -41   11   10 o   8.1320   0.3139   8.1600   0.4792   8.1030   0.4055 0.5678000E-01 0.6278000 
1 1 1  -41   11   11 o   15.720   0.1982   15.660   0.2864   15.790   0.2742 -0.1299000 0.3965000 
1 1 1  -41   11   12 o   10.890   0.2403   11.010   0.3439   10.760   0.3357 0.2583000 0.4806000 
1 1 1  -41   11   13 o   2.6510   0.6466   2.7150   0.9641   2.5860   0.8621 0.1293000 1.293000 
1 1 1  -41   11   14 o   6.0040   0.4342   5.7060   0.7145   6.3010   0.4934 -0.5958000 0.8683000 
1 1 1  -41   11   15 o   11.340   0.2970   11.410   0.4147   11.270   0.4252 0.1353000 0.5939000 
1 1 1  -41   11   16 o   11.060   0.2524   10.670   0.3738   11.450   0.3392 -0.7800000 0.5048000 
1 1 1  -41   11   17 o   8.2970   0.3132   8.3240   0.4566   8.2690   0.4289 0.5470000E-01 0.6265000 
1 1 1  -41   11   18 o   7.3330   0.3529   6.9500   0.5319   7.7160   0.4639 -0.7662000 0.7057000 
1 1 1  -41   11   19 o   4.9150   0.5132   5.1240   0.7016   4.7070   0.7493 0.4165000 1.026000 
1 1 1  -41   11   20 o   15.340   0.2161   15.310   0.3115   15.360   0.2998 -0.4967000E-01 0.4323000 
1 1 1  -41   11   21 o   18.250   0.2127   18.260   0.3010   18.240   0.3007 0.2414000E-01 0.4254000 
1 1 1  -41   11   22 o   14.390   0.3663  ?   ?    14.390   0.3663      ?      ? 
1 1 1  -41   11   23 o   15.240   0.2137   15.350   0.2848   15.140   0.3185 0.2143000 0.4273000 
1 1 1  -41   11   24 f   9.9850   0.2779   10.120   0.3620   9.8480   0.4216 0.2742000 0.5557000 
1 1 1  -41   11   25 o   3.7780   0.6393   4.5670   0.7747   2.9880   1.0170 1.580000 1.279000 
1 1 1  -41   11   26 o   11.800   0.2546   11.760   0.3470   11.830   0.3726 -0.6994000E-01 0.5091000 
1 1 1  -41   11   27 o   4.5440   0.7104   5.0120   0.8933   4.0770   1.1050 0.9347000 1.421000 
1 1 1  -41   11   28 o   10.050   0.2957   10.520   0.3946   9.5820   0.4404 0.9431000 0.5913000 
1 1 1  -41   13    1 o   14.010   0.2062   14.250   0.3073   13.770   0.2752 0.4863000 0.4125000 
1 1 1  -41   13    2 o   18.950   0.1958   19.010   0.2801   18.900   0.2736 0.1108000 0.3916000 
1 1 1  -41   13    3 o   18.470   0.2086   18.700   0.3141   18.230   0.2744 0.4743000 0.4171000 
1 1 1  -41   13    4 o   5.8130   0.4204   5.6920   0.6429   5.9350   0.5419 -0.2425000 0.8408000 
1 1 1  -41   13    5 o   2.1480   0.6189   2.3940   0.9134   1.9030   0.8353 0.4911000 1.238000 
1 1 1  -41   13    6 o   4.1340   0.5597   4.8190   0.6733   3.4490   0.8942 1.370000 1.119000 
1 1 1  -41   13    7 o   12.660   0.2995  ?   ?    12.660   0.2995      ?      ? 
1 1 1  -41   13    8 o   20.610   0.2133   20.210   0.3317   21.010   0.2681 -0.7961000 0.4265000 
1 1 1  -41   13    9 o   17.380   0.2554   17.110   0.4337   17.660   0.2699 -0.5427000 0.5108000 
1 1 1  -41   13   10 o   15.770   0.2658   15.950   0.4549   15.590   0.2752 0.3674000 0.5316000 
1 1 1  -41   13   11 o   14.020   0.2773   13.780   0.4888   14.250   0.2619 -0.4736000 0.5545000 
1 1 1  -41   13   12 o   14.200   0.2058   14.060   0.3181   14.340   0.2611 -0.2765000 0.4116000 
1 1 1  -41   13   13 o   6.9760   0.3456   7.1280   0.5248   6.8230   0.4498 0.3055000 0.6912000 
1 1 1  -41   13   14 o   2.2770   0.6330   2.7740   0.9896   1.7790   0.7897 0.9958000 1.266000 
1 1 1  -41   13   15 o   8.4710   0.2882   8.8590   0.4362   8.0830   0.3769 0.7759000 0.5765000 
1 1 1  -41   13   16 o   4.5850   0.5179   5.3180   0.6936   3.8530   0.7692 1.465000 1.036000 
1 1 1  -41   13   17 o   7.0330   0.3780   7.2510   0.5388   6.8140   0.5303 0.4370000 0.7560000 
1 1 1  -41   13   18 o   5.8060   0.4642   6.3190   0.6233   5.2930   0.6881 1.026000 0.9284000 
1 1 1  -41   13   19 o   17.480   0.2583   17.320   0.3833   17.650   0.3465 -0.3342000 0.5167000 
1 1 1  -41   13   20 o   10.500   0.3361   10.430   0.5080   10.560   0.4403 -0.1336000 0.6723000 
1 1 1  -41   13   21 o   2.9480   0.7493   2.8530   1.1020   3.0420   1.0160 -0.1888000 1.499000 
1 1 1  -41   13   22 o   9.8910   0.3006   10.360   0.4120   9.4260   0.4379 0.9295000 0.6013000 
1 1 1  -41   13   23 o   16.490   0.2326   16.390   0.3302   16.580   0.3277 -0.1912000 0.4652000 
1 1 1  -41   13   24 o   6.9670   0.4285   6.4280   0.6524   7.5050   0.5558 -1.078000 0.8571000 
1 1 1  -41   13   25 o   5.3980   0.5477   5.0080   0.8320   5.7870   0.7124 -0.7784000 1.095000 
1 1 1  -41   13   26 f   5.9860   0.5813   6.2700   0.7074   5.7010   0.9227 0.5690000 1.163000 
1 1 1  -41   13   27 o   11.070   0.2798   11.070   0.3746   11.060   0.4157 0.3268000E-02 0.5595000 
1 1 1  -41   15    1 o   7.6420   0.3321   7.6290   0.4949   7.6540   0.4429 -0.2469000E-01 0.6642000 
1 1 1  -41   15    2 o   5.8390   0.4405   6.7030   0.5604   4.9760   0.6797 1.727000 0.8809000 
1 1 1  -41   15    3 o   12.080   0.2348   12.260   0.3435   11.900   0.3203 0.3605000 0.4697000 
1 1 1  -41   15    4 o   2.4590   0.6618   2.7350   0.9841   2.1820   0.8853 0.5530000 1.324000 
1 1 1  -41   15    5 o   5.9690   0.3800   5.6290   0.5688   6.3080   0.5041 -0.6795000 0.7600000 
1 1 1  -41   15    6 o   3.7000   0.6017   3.8700   0.8386   3.5290   0.8629 0.3406000 1.203000 
1 1 1  -41   15    7 o   11.570   0.2369   11.790   0.3626   11.350   0.3049 0.4400000 0.4737000 
1 1 1  -41   15    8 o   17.040   0.1977   17.030   0.3028   17.040   0.2544 -0.2501000E-02 0.3955000 
1 1 1  -41   15    9 o   6.2800   0.3874   6.5100   0.5869   6.0500   0.5059 0.4603000 0.7748000 
1 1 1  -41   15   10 o   9.6210   0.3110   9.4770   0.5243   9.7660   0.3348 -0.2893000 0.6220000 
1 1 1  -41   15   11 o   5.7160   0.5925   5.8060   1.0560   5.6260   0.5378 0.1806000 1.185000 
1 1 1  -41   15   12 o   8.1190   0.4239   8.3180   0.7479   7.9190   0.3993 0.3989000 0.8478000 
1 1 1  -41   15   13 o   10.160   0.2710   9.7610   0.4337   10.560   0.3252 -0.7994000 0.5421000 
1 1 1  -41   15   14 o   22.940   0.1988   23.250   0.3032   22.630   0.2571 0.6184000 0.3976000 
1 1 1  -41   15   15 o   10.750   0.3090   10.670   0.5027   10.840   0.3593 -0.1699000 0.6179000 
1 1 1  -41   15   16 o   7.9380   0.3944   7.5450   0.6615   8.3300   0.4295 -0.7853000 0.7888000 
1 1 1  -41   15   17 o   6.0160   0.5431   5.1550   0.9546   6.8770   0.5183 -1.722000 1.086000 
1 1 1  -41   15   18 f   16.090   0.2142   16.610   0.3229   15.570   0.2817 1.045000 0.4285000 
1 1 1  -41   15   19 o   7.1780   0.4515   7.3140   0.6979   7.0420   0.5731 0.2714000 0.9030000 
1 1 1  -41   15   20 o   7.7660   0.3832   8.0310   0.5307   7.5000   0.5528 0.5308000 0.7663000 
1 1 1  -41   15   21 o   5.9830   0.4856   6.5250   0.6410   5.4410   0.7297 1.084000 0.9713000 
1 1 1  -41   15   22 o   3.7090   0.7236   3.3810   1.0500   4.0380   0.9961 -0.6571000 1.447000 
1 1 1  -41   15   23 o   7.3370   0.4044   7.4790   0.5656   7.1950   0.5783 0.2842000 0.8088000 
1 1 1  -41   15   24 o   11.380   0.2976   11.290   0.4207   11.470   0.4211 -0.1756000 0.5952000 
1 1 1  -41   15   25 o   4.4610   0.7117   5.6870   0.7524   3.2350   1.2080 2.452000 1.423000 
1 1 1  -41   15   26 o   2.5180   0.7255   2.7550   1.0680   2.2820   0.9821 0.4732000 1.451000 
1 1 1  -41   17    1 o   2.4960   0.6950   2.8760   1.0410   2.1160   0.9213 0.7598000 1.390000 
1 1 1  -41   17    2 o   13.400   0.2412   13.060   0.3456   13.740   0.3365 -0.6799000 0.4824000 
1 1 1  -41   17    3 o   13.220   0.2397   12.900   0.3467   13.540   0.3310 -0.6444000 0.4794000 
1 1 1  -41   17    4 o   9.2660   0.2982   8.9080   0.4312   9.6250   0.4120 -0.7173000 0.5964000 
1 1 1  -41   17    5 o   5.1290   0.5312   5.7200   0.6838   4.5380   0.8130 1.181000 1.062000 
1 1 1  -41   17    6 o   4.4640   0.5910   4.4370   0.8584   4.4900   0.8125 -0.5360000E-01 1.182000 
1 1 1  -41   17    7 o   5.9240   0.4453   5.1990   0.7125   6.6480   0.5344 -1.449000 0.8906000 
1 1 1  -41   17    8 o   5.5240   0.5394   5.6520   0.8332   5.3960   0.6854 0.2560000 1.079000 
1 1 1  -41   17    9 o   7.9980   0.3995   7.3020   0.6691   8.6930   0.4368 -1.391000 0.7991000 
1 1 1  -41   17   10 o   3.2310   0.7604   3.3000   1.1460   3.1620   0.9993 0.1381000 1.521000 
1 1 1  -41   17   11 o   5.5310   0.5693   6.2870   0.8326   4.7750   0.7767 1.512000 1.139000 
1 1 1  -41   17   12 o   3.4290   0.7946   3.3610   1.3050   3.4980   0.9068 -0.1373000 1.589000 
1 1 1  -41   17   13 f   6.2750   0.5540   7.4770   0.8937   5.0720   0.6550 2.405000 1.108000 
1 1 1  -41   17   14 o   8.0960   0.3332   8.1610   0.5084   8.0300   0.4307 0.1311000 0.6663000 
1 1 1  -41   17   15 o   2.8250   0.7106   3.4510   1.0400   2.1990   0.9687 1.252000 1.421000 
1 1 1  -41   17   16 o   4.4290   0.7313   4.2100   1.1370   4.6480   0.9196 -0.4377000 1.463000 
1 1 1  -41   17   17 o   5.7020   0.5328   6.4280   0.8040   4.9760   0.6993 1.452000 1.066000 
1 1 1  -41   17   18 o   17.140   0.2179   16.940   0.3350   17.330   0.2788 -0.3921000 0.4358000 
1 1 1  -41   17   19 f   5.8720   0.4664   6.1180   0.6891   5.6250   0.6286 0.4934000 0.9327000 
1 1 1  -41   17   20 o   7.7230   0.3925   7.4320   0.5728   8.0130   0.5368 -0.5813000 0.7850000 
1 1 1  -41   17   21 o   1.5760   0.5427   1.8040   0.8499   1.3480   0.6750 0.4562000 1.085000 
1 1 1  -41   17   22 o   5.4970   0.5835   4.5710   0.9630   6.4230   0.6590 -1.852000 1.167000 
1 1 1  -41   17   23 o   6.3190   0.5744   7.1190   0.6095   5.5190   0.9738 1.600000 1.149000 
1 1 1  -41   17   24 o   2.4090   0.7053   2.0400   0.9286   2.7780   1.0620 -0.7380000 1.411000 
1 1 1  -41   19    1 o   2.3560   0.6453   1.6400   0.7933   3.0710   1.0180 -1.431000 1.291000 
1 1 1  -41   19    2 o   5.7190   0.4963   6.0650   0.6940   5.3720   0.7098 0.6938000 0.9927000 
1 1 1  -41   19    3 o   7.9110   0.4178   8.0090   0.6761   7.8120   0.4912 0.1968000 0.8357000 
1 1 1  -41   19    4 o   7.7720   0.4069   7.8760   0.5523   7.6670   0.5978 0.2088000 0.8139000 
1 1 1  -41   19    5 o   5.3040   0.5728   5.3510   0.7767   5.2580   0.8422 0.9331000E-01 1.146000 
1 1 1  -41   19    6 o   3.6150   0.7469   3.5130   1.0400   3.7170   1.0720 -0.2038000 1.494000 
1 1 1  -41   19    7 f   5.2170   0.6031   6.4750   0.6317   3.9580   1.0270 2.517000 1.206000 
1 1 1  -41   19    8 o   6.3150   0.5600   6.6840   0.8387   5.9450   0.7422 0.7386000 1.120000 
1 1 1  -41   19    9 o   10.700   0.3620   10.620   0.5748   10.790   0.4402 -0.1639000 0.7240000 
1 1 1  -41   19   10 o   5.7480   0.6178   6.2870   0.9039   5.2100   0.8426 1.077000 1.236000 
1 1 1  -41   19   11 o  10.0000   0.3834   10.220   0.6107   9.7880   0.4638 0.4292000 0.7669000 
1 1 1  -41   19   12 o   2.4050   0.7042   2.1570   1.0170   2.6540   0.9743 -0.4976000 1.408000 
1 1 1  -41   19   13 o   4.9030   0.7524   4.6190   1.3430   5.1880   0.6794 -0.5690000 1.505000 
1 1 1  -41   19   14 o   3.0670   0.7078   2.2970   1.0860   3.8380   0.9077 -1.542000 1.416000 
1 1 1  -41   19   15 o   2.0640   0.6434   1.9460   0.8999   2.1810   0.9199 -0.2345000 1.287000 
1 1 1  -41   19   16 o   4.1350   0.6734   4.6460   0.9278   3.6250   0.9762 1.021000 1.347000 
1 1 1  -41   19   17 o   10.720   0.2860   10.940   0.4248   10.490   0.3830 0.4460000 0.5720000 
1 1 1  -41   19   18 o   2.2720   0.6662   2.7680   1.0490   1.7750   0.8219 0.9934000 1.332000 
1 1 1  -41   19   19 o   2.0960   0.6534   2.1730   0.9574   2.0190   0.8893 0.1545000 1.307000 
1 1 1  -41   19   20 o   7.8620   0.4116   7.2030   0.6265   8.5210   0.5339 -1.318000 0.8231000 
1 1 1  -41   19   21 o   6.2780   0.5048   5.9980   0.7519   6.5590   0.6738 -0.5611000 1.010000 
1 1 1  -41   19   22 o   3.0330   0.8317   2.5720   1.0970   3.4950   1.2500 -0.9224000 1.663000 
1 1 1  -41   21    1 o   2.4080   0.7032   2.6630   1.0550   2.1520   0.9304 0.5109000 1.406000 
1 1 1  -41   21    2 o   8.2000   0.3679   8.3190   0.5431   8.0810   0.4965 0.2380000 0.7359000 
1 1 1  -41   21    3 o   3.0010   0.7002   3.8610   1.0490   2.1410   0.9275 1.721000 1.400000 
1 1 1  -41   21    4 o   6.7850   0.4111   6.3050   0.6253   7.2650   0.5338 -0.9602000 0.8221000 
1 1 1  -41   21    5 o   2.7540   0.7041   2.3710   0.9706   3.1370   1.0200 -0.7666000 1.408000 
1 1 1  -41   21    6 o   5.6730   0.4578   5.7030   0.6441   5.6440   0.6507 0.5888000E-01 0.9156000 
1 1 1  -41   21    7 o   3.2950   0.6960   3.5360   0.9730   3.0540   0.9955 0.4814000 1.392000 
1 1 1  -41   21    8 o   6.0740   0.4873   6.0520   0.7666   6.0970   0.6017 -0.4507000E-01 0.9745000 
1 1 1  -41   21    9 o   7.7940   0.3932   8.7330   0.5628   6.8540   0.5493 1.879000 0.7864000 
1 1 1  -41   21   10 o   2.4570   0.7045   2.4180   1.0210   2.4960   0.9714 -0.7805000E-01 1.409000 
1 1 1  -41   21   11 o   5.7330   0.5439   4.7440   0.9438   6.7220   0.5409 -1.978000 1.088000 
1 1 1  -41   21   12 o   2.2560   0.6543   1.7940   0.8579   2.7190   0.9883 -0.9247000 1.309000 
1 1 1  -41   21   13 o   3.8530   0.7987   4.1930   1.2650   3.5130   0.9752 0.6802000 1.597000 
1 1 1  -41   21   14 o   5.0150   0.7838   4.0100   1.4380   6.0190   0.6230 -2.009000 1.568000 
1 1 1  -41   21   15 o   1.7940   0.6210   1.9770   0.9743   1.6110   0.7702 0.3666000 1.242000 
1 1 1  -41   21   16 o   2.7790   0.7362   3.1170   1.1070   2.4400   0.9711 0.6770000 1.472000 
1 1 1  -41   21   17 o   2.9230   0.7251   2.1370   0.9617   3.7100   1.0850 -1.572000 1.450000 
1 1 1  -41   21   18 o   3.9510   0.7898   4.5000   1.1490   3.4030   1.0840 1.097000 1.580000 
1 1 1  -41   21   19 o   8.4310   0.4418   7.9270   0.6908   8.9350   0.5509 -1.008000 0.8835000 
1 1 1  -41   21   20 o   2.5560   0.8464   2.4270   1.1480   2.6850   1.2440 -0.2581000 1.693000 
1 1 1  -41   23    1 o   2.0560   0.6623   2.2480   1.0020   1.8640   0.8661 0.3835000 1.325000 
1 1 1  -41   23    2 o   8.5700   0.3816   7.7820   0.6152   9.3590   0.4515 -1.576000 0.7631000 
1 1 1  -41   23    3 o   3.4760   0.8031   2.7810   1.1850   4.1700   1.0850 -1.389000 1.606000 
1 1 1  -41   23    4 o   9.1320   0.3987   8.7900   0.5983   9.4750   0.5270 -0.6847000 0.7973000 
1 1 1  -41   23    5 o   3.8130   0.7515   2.9240   1.1370   4.7010   0.9832 -1.778000 1.503000 
1 1 1  -41   23    6 f   2.9260   0.7800   3.2080   1.1360   2.6430   1.0700 0.5652000 1.560000 
1 1 1  -41   23    7 o   3.4040   0.7883   3.4130   1.1270   3.3940   1.1020 0.1902000E-01 1.577000 
1 1 1  -41   23    8 o   8.4650   0.3947   8.5560   0.5684   8.3740   0.5477 0.1813000 0.7893000 
1 1 1  -41   23    9 o   4.3520   0.7387   4.5100   1.0510   4.1940   1.0380 0.3159000 1.477000 
1 1 1  -41   23   10 o   4.8700   0.6705   4.5600   1.0230   5.1800   0.8670 -0.6203000 1.341000 
1 1 1  -41   23   11 o   3.4940   0.7959   3.5130   1.1480   3.4750   1.1030 0.3749000E-01 1.592000 
1 1 1  -41   23   12 o   6.4150   0.6152   6.5180   0.8487   6.3130   0.8909 0.2049000 1.230000 
1 1 1  -41   23   13 o   4.0020   0.8069   4.4850   1.1650   3.5180   1.1170 0.9673000 1.614000 
1 1 1  -41   23   14 o   2.5800   0.7922   2.5800   1.1800   2.5810   1.0570 -0.3705000E-03 1.584000 
1 1 1  -41   23   15 o   2.7620   0.7992   2.4440   1.1460   3.0810   1.1150 -0.6365000 1.598000 
1 1 1  -41   23   16 o   2.6680   0.7282   2.2140   1.0230   3.1220   1.0360 -0.9078000 1.456000 
1 1 1  -41   25    1 o   1.8200   0.6076   1.6730   0.8168   1.9670   0.8997 -0.2945000 1.215000 
1 1 1  -41   25    2 o   3.1280   0.7811   3.2200   1.1430   3.0370   1.0650 0.1825000 1.562000 
1 1 1  -41   25    3 o   5.1570   0.6486   5.4990   0.9475   4.8160   0.8860 0.6831000 1.297000 
1 1 1  -41   25    4 o   4.2500   0.7016   3.7700   1.0890   4.7300   0.8850 -0.9608000 1.403000 
1 1 1  -41   25    5 o   2.2720   0.6862   2.5940   1.0430   1.9490   0.8921 0.6451000 1.372000 
1 1 1  -41   25    6 o   2.6330   0.7246   2.9860   1.0730   2.2790   0.9744 0.7072000 1.449000 
1 1 1  -41   25    7 o   2.3150   0.6918   2.2640   0.9764   2.3650   0.9801 -0.1012000 1.384000 
1 1 1  -41   25    8 o   2.1990   0.6733   1.8760   0.8952   2.5230   1.0060 -0.6477000 1.347000 
1 1 1  -41   25    9 o   2.1720   0.6784   1.9820   0.9270   2.3620   0.9908 -0.3797000 1.357000 
1 1 1  -41   25   10 o   2.3660   0.7150   2.6690   1.0950   2.0640   0.9201 0.6050000 1.430000 
1 1 1  -41   25   11 o   2.3490   0.7143   2.7050   1.1040   1.9920   0.9065 0.7129000 1.429000 
1 1 1  -40    0    1 o   31.850   0.4919   31.850   0.4919   31.850   0.4919 -0.000000 0.000000 
1 1 1  -40    0    2 o   28.510   0.4403   28.510   0.4403   28.510   0.4403 -0.000000 0.000000 
1 1 1  -40    0    3 o   6.2920   0.4942   6.2920   0.4942   6.2920   0.4942 -0.000000 0.000000 
1 1 1  -40    0    4 o   9.2880   0.2126   9.2880   0.2126   9.2880   0.2126 -0.000000 0.000000 
1 1 1  -40    0    5 f   16.060   0.1730   16.060   0.1730   16.060   0.1730 -0.000000 0.000000 
1 1 1  -40    0    6 o   33.090   0.3431   33.090   0.3431   33.090   0.3431 -0.000000 0.000000 
1 1 1  -40    0    7 o   13.810   0.2008   13.810   0.2008   13.810   0.2008 -0.000000 0.000000 
1 1 1  -40    0    8 o   32.200   0.2730   32.200   0.2730   32.200   0.2730 -0.000000 0.000000 
1 1 1  -40    0    9 o   9.2350   0.1866   9.2350   0.1866   9.2350   0.1866 -0.000000 0.000000 
1 1 1  -40    0   10 o   26.750   0.2944   26.750   0.2944   26.750   0.2944 -0.000000 0.000000 
1 1 1  -40    0   11 o   23.300   0.2221   23.300   0.2221   23.300   0.2221 -0.000000 0.000000 
1 1 1  -40    0   12 o   0.8565   0.5921   0.8565   0.5921   0.8565   0.5921 -0.000000 0.000000 
1 1 1  -40    0   13 o   16.970   0.1814   16.970   0.1814   16.970   0.1814 -0.000000 0.000000 
1 1 1  -40    0   14 o   19.560   0.1904   19.560   0.1904   19.560   0.1904 -0.000000 0.000000 
1 1 1  -40    0   15 o   16.210   0.2275   16.210   0.2275   16.210   0.2275 -0.000000 0.000000 
1 1 1  -40    0   16 o   19.020   0.2770   19.020   0.2770   19.020   0.2770 -0.000000 0.000000 
1 1 1  -40    0   17 o   16.670   0.2025   16.670   0.2025   16.670   0.2025 -0.000000 0.000000 
1 1 1  -40    0   18 o   16.160   0.2114   16.160   0.2114   16.160   0.2114 -0.000000 0.000000 
1 1 1  -40    0   19 o   20.690   0.2178   20.690   0.2178   20.690   0.2178 -0.000000 0.000000 
1 1 1  -40    0   20 o   23.680   0.2283   23.680   0.2283   23.680   0.2283 -0.000000 0.000000 
1 1 1  -40    0   21 o   19.350   0.2242   19.350   0.2242   19.350   0.2242 -0.000000 0.000000 
1 1 1  -40    0   22 o   11.880   0.2651   11.880   0.2651   11.880   0.2651 -0.000000 0.000000 
1 1 1  -40    0   23 o   9.8440   0.3088   9.8440   0.3088   9.8440   0.3088 -0.000000 0.000000 
1 1 1  -40    0   24 o   15.790   0.3547   15.790   0.3547   15.790   0.3547 -0.000000 0.000000 
1 1 1  -40    0   25 o   3.2260   1.0330   3.2260   1.0330   3.2260   1.0330 -0.000000 0.000000 
1 1 1  -40    0   26 o   15.120   0.2683   15.120   0.2683   15.120   0.2683 -0.000000 0.000000 
1 1 1  -40    0   27 o   10.720   0.3345   10.720   0.3345   10.720   0.3345 -0.000000 0.000000 
1 1 1  -40    0   28 o   13.790   0.4205   13.790   0.4205   13.790   0.4205 -0.000000 0.000000 
1 1 1  -40    0   29 o   12.600   0.3151   12.600   0.3151   12.600   0.3151 -0.000000 0.000000 
1 1 1  -40    0   30 o   3.8460   1.1630   3.8460   1.1630   3.8460   1.1630 -0.000000 0.000000 
1 1 1  -40    0   31 o   9.2560   0.4766   9.2560   0.4766   9.2560   0.4766 -0.000000 0.000000 
1 1 1  -40    2    1 o   40.230   0.3708   39.860   0.4211   40.600   0.6106 -0.7413000 0.7417000 
1 1 1  -40    2    2 o   34.040   0.2610   33.380   0.3602   34.690   0.3778 -1.312000 0.5220000 
1 1 1  -40    2    3 o   20.810   0.1900   20.450   0.3311   21.170   0.1863 -0.7204000 0.3799000 
1 1 1  -40    2    4 o   19.800   0.1922  ?   ?    19.800   0.1922      ?      ? 
1 1 1  -40    2    5 o   21.640   0.2757  ?   ?    21.640   0.2757      ?      ? 
1 1 1  -40    2    6 o   24.080   0.2872   23.870   0.4007   24.290   0.4117 -0.4174000 0.5745000 
1 1 1  -40    2    7 o   29.010   0.3223   28.760   0.4500   29.250   0.4616 -0.4893000 0.6447000 
1 1 1  -40    2    8 o   6.4690   0.2884   5.8340   0.4322   7.1040   0.3821 -1.270000 0.5769000 
1 1 1  -40    2    9 o   2.5100   0.5942   2.7110   0.8385   2.3090   0.8423 0.4013000 1.188000 
1 1 1  -40    2   10 o   20.970   0.1481   20.770   0.2084   21.170   0.2106 -0.4005000 0.2963000 
1 1 1  -40    2   11 o   7.4840   0.1795   7.3500   0.2449   7.6180   0.2625 -0.2682000 0.3590000 
1 1 1  -40    2   12 o   40.090   0.2418   40.040   0.3418   40.140   0.3421 -0.1016000 0.4836000 
1 1 1  -40    2   13 o   35.510   0.2052   35.490   0.2680   35.540   0.3107 -0.4466000E-01 0.4103000 
1 1 1  -40    2   14 o   21.530   0.1799   21.380   0.2306   21.680   0.2762 -0.3042000 0.3598000 
1 1 1  -40    2   15 o   22.890   0.1862   23.090   0.2395   22.690   0.2852 0.3919000 0.3724000 
1 1 1  -40    2   16 o   26.240   0.2073   26.190   0.2585   26.300   0.3241 -0.1130000 0.4146000 
1 1 1  -40    2   17 o   19.080   0.1573   19.210   0.2064   18.960   0.2373 0.2553000 0.3145000 
1 1 1  -40    2   18 o   12.660   0.1759   12.810   0.2313   12.520   0.2652 0.2958000 0.3519000 
1 1 1  -40    2   19 o   7.5150   0.2612   7.5760   0.3445   7.4540   0.3928 0.1217000 0.5225000 
1 1 1  -40    2   20 o   7.0640   0.2859   7.1570   0.3734   6.9700   0.4331 0.1861000 0.5718000 
1 1 1  -40    2   21 o   3.1590   0.6019   3.1590   0.8042   3.1580   0.8957 0.6273000E-03 1.204000 
1 1 1  -40    2   22 o   22.870   0.1778   22.920   0.2338   22.830   0.2679 0.8638000E-01 0.3555000 
1 1 1  -40    2   23 f   3.3560   0.6912   3.1180   0.9449   3.5930   1.0090 -0.4753000 1.382000 
1 1 1  -40    2   24 f   9.8730   0.2656   9.9650   0.3853   9.7820   0.3655 0.1836000 0.5311000 
1 1 1  -40    2   25 o   11.410   0.2284   11.250   0.3150   11.570   0.3308 -0.3168000 0.4568000 
1 1 1  -40    2   26 o   13.710   0.2123   13.570   0.2845   13.850   0.3151 -0.2737000 0.4245000 
1 1 1  -40    2   27 o   12.170   0.2356   12.040   0.3175   12.290   0.3481 -0.2514000 0.4712000 
1 1 1  -40    2   28 o   7.9890   0.4950   7.7120   0.6450   8.2660   0.7510 -0.5537000 0.9900000 
1 1 1  -40    2   29 o   1.8650   0.6029   1.7230   0.8047   2.0070   0.8979 -0.2840000 1.206000 
1 1 1  -40    2   30 o   4.2150   0.6326   3.7610   0.9488   4.6700   0.8371 -0.9090000 1.265000 
1 1 1  -40    2   31 o   10.070   0.2943   9.9640   0.4025   10.180   0.4295 -0.2204000 0.5886000 
1 1 1  -40    4    1 o   2.8550   0.5509   1.9980   0.8493   3.7110   0.7017 -1.713000 1.102000 
1 1 1  -40    4    2 o   15.890   0.1793   16.140   0.2697   15.630   0.2365 0.5096000 0.3587000 
1 1 1  -40    4    3 o   9.6960   0.2023   9.5410   0.2968   9.8500   0.2749 -0.3093000 0.4046000 
1 1 1  -40    4    4 o   20.280   0.2352   20.240   0.4339   20.320   0.1818 -0.7921000E-01 0.4704000 
1 1 1  -40    4    5 o   48.790   0.5067  ?   ?    48.790   0.5067      ?      ? 
1 1 1  -40    4    6 o   14.420   0.3030  ?   ?    14.420   0.3030      ?      ? 
1 1 1  -40    4    7 o   22.050   0.2595   21.720   0.4247   22.380   0.2985 -0.6628000 0.5191000 
1 1 1  -40    4    8 o   7.3610   0.3279   7.4940   0.4557   7.2280   0.4717 0.2661000 0.6559000 
1 1 1  -40    4    9 f   40.770   0.3053   40.630   0.4301   40.910   0.4333 -0.2845000 0.6105000 
1 1 1  -40    4   10 o   11.900   0.1359   11.460   0.2233   12.340   0.1550 -0.8859000 0.2719000 
1 1 1  -40    4   11 o   17.170   0.1371   17.410   0.1784   16.930   0.2081 0.4838000 0.2742000 
1 1 1  -40    4   12 o   31.420   0.2425   31.340   0.3444   31.490   0.3413 -0.1482000 0.4849000 
1 1 1  -40    4   13 o   30.470   0.2177   30.840   0.2809   30.110   0.3326 0.7357000 0.4353000 
1 1 1  -40    4   14 o   27.680   0.1954   27.950   0.2313   27.410   0.3150 0.5357000 0.3908000 
1 1 1  -40    4   15 o   14.490   0.1598   14.590   0.2120   14.400   0.2391 0.1961000 0.3195000 
1 1 1  -40    4   16 o   23.020   0.2025   23.490   0.2554   22.550   0.3145 0.9410000 0.4051000 
1 1 1  -40    4   17 o   9.6250   0.2070   9.3840   0.2826   9.8650   0.3026 -0.4808000 0.4141000 
1 1 1  -40    4   18 o   25.300   0.1761   24.990   0.2301   25.620   0.2668 -0.6319000 0.3523000 
1 1 1  -40    4   19 f   23.850   0.1748   23.590   0.2286   24.120   0.2646 -0.5315000 0.3497000 
1 1 1  -40    4   20 o   5.0200   0.4030   5.1610   0.5188   4.8790   0.6170 0.2816000 0.8061000 
1 1 1  -40    4   21 o   16.360   0.1762   16.390   0.2328   16.320   0.2645 0.6840000E-01 0.3523000 
1 1 1  -40    4   22 o   8.4160   0.3160   8.1170   0.4120   8.7150   0.4792 -0.5981000 0.6320000 
1 1 1  -40    4   23 o   12.140   0.2118   11.960   0.2854   12.320   0.3130 -0.3526000 0.4236000 
1 1 1  -40    4   24 o   10.550   0.2510   10.680   0.3587   10.420   0.3512 0.2673000 0.5020000 
1 1 1  -40    4   25 o   11.140   0.2366   10.860   0.3254   11.410   0.3435 -0.5444000 0.4731000 
1 1 1  -40    4   26 o   18.590   0.1933   18.650   0.2556   18.520   0.2901 0.1372000 0.3866000 
1 1 1  -40    4   27 o   6.9240   0.4303   7.0030   0.5788   6.8450   0.6369 0.1580000 0.8606000 
1 1 1  -40    4   28 o   11.600   0.3033   11.420   0.3778   11.780   0.4745 -0.3571000 0.6065000 
1 1 1  -40    4   29 o   5.4110   0.4920   5.3090   0.6729   5.5130   0.7180 -0.2040000 0.9841000 
1 1 1  -40    4   30 o   5.3820   0.5005   5.8410   0.6152   4.9220   0.7896 0.9181000 1.001000 
1 1 1  -40    4   31 o   3.6640   0.6936   3.7130   0.9458   3.6150   1.0150 0.9830000E-01 1.387000 
1 1 1  -40    6    1 f   34.920   0.2082   34.700   0.3115   35.150   0.2765 -0.4515000 0.4165000 
1 1 1  -40    6    2 o   5.2030   0.3210   5.3590   0.4418   5.0480   0.4657 0.3117000 0.6419000 
1 1 1  -40    6    3 f   26.720   0.2095   26.950   0.3230   26.490   0.2669 0.4502000 0.4190000 
1 1 1  -40    6    4 o   14.960   0.1365   15.000   0.1994   14.910   0.1865 0.9796000E-01 0.2730000 
1 1 1  -40    6    5 o   24.910   0.1880   24.540   0.2929   25.270   0.2358 -0.7294000 0.3760000 
1 1 1  -40    6    6 o   35.900   0.3235   35.050   0.5648   36.740   0.3156 -1.688000 0.6470000 
1 1 1  -40    6    7 o   10.790   0.1745  ?   ?    10.790   0.1745      ?      ? 
1 1 1  -40    6    8 o   34.670   0.3573  ?   ?    34.670   0.3573      ?      ? 
1 1 1  -40    6    9 o   16.020   0.1246   16.100   0.1775   15.940   0.1747 0.1584000 0.2491000 
1 1 1  -40    6   10 o   9.5230   0.1707   9.1720   0.2189   9.8730   0.2621 -0.7011000 0.3415000 
1 1 1  -40    6   11 o   17.140   0.1592   17.160   0.2231   17.120   0.2270 0.4541000E-01 0.3183000 
1 1 1  -40    6   12 o   13.070   0.1592   13.360   0.2053   12.770   0.2434 0.5905000 0.3185000 
1 1 1  -40    6   13 o   7.4000   0.2427   7.3380   0.3287   7.4610   0.3572 -0.1224000 0.4854000 
1 1 1  -40    6   14 o   19.280   0.1581   19.070   0.2085   19.480   0.2377 -0.4067000 0.3161000 
1 1 1  -40    6   15 o   11.960   0.1820   12.150   0.2419   11.760   0.2720 0.3901000 0.3640000 
1 1 1  -40    6   16 o   11.610   0.2514   11.610   0.3112   11.610   0.3950 0.6063000E-02 0.5029000 
1 1 1  -40    6   17 f   13.720   0.1790   13.810   0.2401   13.630   0.2655 0.1747000 0.3580000 
1 1 1  -40    6   18 o   4.1580   0.4832   4.0660   0.6657   4.2490   0.7005 -0.1830000 0.9663000 
1 1 1  -40    6   19 o   7.1990   0.2890   7.4630   0.3681   6.9340   0.4456 0.5285000 0.5780000 
1 1 1  -40    6   20 o   4.0130   0.5170   4.0590   0.6860   3.9670   0.7736 0.9241000E-01 1.034000 
1 1 1  -40    6   21 o   14.480   0.2263   14.680   0.2891   14.280   0.3483 0.4020000 0.4527000 
1 1 1  -40    6   22 o   6.4720   0.3453   6.4970   0.4683   6.4480   0.5074 0.4953000E-01 0.6905000 
1 1 1  -40    6   23 o   5.3760   0.4229   5.0350   0.6164   5.7170   0.5790 -0.6826000 0.8457000 
1 1 1  -40    6   24 o   15.120   0.2112   15.150   0.3043   15.080   0.2931 0.7430000E-01 0.4225000 
1 1 1  -40    6   25 o   9.3240   0.2714   9.7160   0.3586   8.9320   0.4075 0.7840000 0.5428000 
1 1 1  -40    6   26 o   5.4930   0.5143   5.7000   0.7063   5.2860   0.7479 0.4148000 1.029000 
1 1 1  -40    6   27 o   8.2120   0.3147   7.9430   0.4316   8.4820   0.4581 -0.5390000 0.6294000 
1 1 1  -40    6   28 o   8.7180   0.3656   8.1580   0.4923   9.2790   0.5406 -1.121000 0.7312000 
1 1 1  -40    6   29 o   4.1860   0.6207   4.7690   0.7397   3.6030   0.9969 1.166000 1.241000 
1 1 1  -40    6   30 o   8.1730   0.3463   8.3320   0.4595   8.0130   0.5184 0.3187000 0.6927000 
1 1 1  -40    6   31 o   2.7220   1.2550   2.7220   1.2550  ?   ?       ?      ? 
1 1 1  -40    8    1 o   21.130   0.1689   20.900   0.2504   21.360   0.2267 -0.4609000 0.3378000 
1 1 1  -40    8    2 o   9.3630   0.2172   9.8180   0.3099   8.9080   0.3043 0.9098000 0.4343000 
1 1 1  -40    8    3 o   17.040   0.1587   16.910   0.2361   17.180   0.2120 -0.2662000 0.3173000 
1 1 1  -40    8    4 o   17.860   0.1560   17.820   0.2315   17.910   0.2092 -0.8612000E-01 0.3120000 
1 1 1  -40    8    5 o   16.160   0.1524   15.900   0.2262   16.410   0.2044 -0.5180000 0.3049000 
1 1 1  -40    8    6 o   19.860   0.1968   19.830   0.3358   19.880   0.2053 -0.5163000E-01 0.3936000 
1 1 1  -40    8    7 o   7.5970   0.3348   8.3030   0.5148   6.8920   0.4284 1.411000 0.6697000 
1 1 1  -40    8    8 o   10.020   0.4101   9.5080   0.7843   10.540   0.2398 -1.029000 0.8201000 
1 1 1  -40    8    9 o   17.610   0.2064   17.700   0.3599   17.520   0.2022 0.1741000 0.4128000 
1 1 1  -40    8   10 o   9.5900   0.2675   9.3260   0.4700   9.8530   0.2558 -0.5275000 0.5351000 
1 1 1  -40    8   11 o   9.4430   0.2172   9.4460   0.3383   9.4400   0.2726 0.6125000E-02 0.4344000 
1 1 1  -40    8   12 o   17.820   0.1662   17.830   0.2569   17.800   0.2108 0.3234000E-01 0.3323000 
1 1 1  -40    8   13 o   18.960   0.1814   18.960   0.2595   18.950   0.2535 0.1495000E-01 0.3627000 
1 1 1  -40    8   14 o   14.190   0.1942   14.450   0.2812   13.930   0.2680 0.5206000 0.3885000 
1 1 1  -40    8   15 o   23.180   0.2167   23.140   0.2709   23.220   0.3382 -0.7555000E-01 0.4333000 
1 1 1  -40    8   16 o   25.820   0.1813   25.970   0.2383   25.670   0.2734 0.2998000 0.3627000 
1 1 1  -40    8   17 o   1.8900   0.5679   2.0790   0.8282   1.7010   0.7773 0.3777000 1.136000 
1 1 1  -40    8   18 o   7.3350   0.2933   7.1500   0.3865   7.5210   0.4412 -0.3703000 0.5866000 
1 1 1  -40    8   19 o   10.770   0.2659   10.970   0.3355   10.570   0.4126 0.3970000 0.5318000 
1 1 1  -40    8   20 f   20.020   0.1815   20.290   0.2424   19.760   0.2702 0.5259000 0.3630000 
1 1 1  -40    8   21 o   9.8500   0.2453   9.7970   0.3368   9.9040   0.3567 -0.1070000 0.4906000 
1 1 1  -40    8   22 o   13.300   0.2069   13.350   0.2823   13.250   0.3026 0.9727000E-01 0.4138000 
1 1 1  -40    8   23 o   5.9210   0.4175   6.2820   0.5784   5.5600   0.6021 0.7226000 0.8349000 
1 1 1  -40    8   24 o   10.830   0.3016   11.300   0.4683   10.350   0.3802 0.9480000 0.6032000 
1 1 1  -40    8   25 o   12.920   0.2600   12.940   0.3532   12.910   0.3816 0.3444000E-01 0.5199000 
1 1 1  -40    8   26 o   10.850   0.2579   10.960   0.3445   10.730   0.3840 0.2327000 0.5159000 
1 1 1  -40    8   27 o   5.6430   0.4580   5.7690   0.6103   5.5160   0.6831 0.2532000 0.9161000 
1 1 1  -40    8   28 o   2.9790   0.7652   2.5820   1.0170   3.3770   1.1440 -0.7946000 1.530000 
1 1 1  -40    8   29 o   2.2590   0.6575   2.6230   0.9862   1.8950   0.8699 0.7280000 1.315000 
1 1 1  -40    8   30 o   7.6430   0.3674   7.6170   0.4985   7.6690   0.5399 -0.5186000E-01 0.7348000 
1 1 1  -40   10    1 o   8.0830   0.3464   8.0200   0.5437   8.1470   0.4295 -0.1274000 0.6928000 
1 1 1  -40   10    2 o   8.1670   0.3375   7.6560   0.5419   8.6790   0.4025 -1.023000 0.6750000 
1 1 1  -40   10    3 o   14.070   0.1821   13.940   0.2733   14.200   0.2406 -0.2555000 0.3641000 
1 1 1  -40   10    4 o   2.3330   0.6061   2.1470   0.8604   2.5190   0.8538 -0.3722000 1.212000 
1 1 1  -40   10    5 o   6.0680   0.3112   5.5550   0.4825   6.5820   0.3932 -1.026000 0.6224000 
1 1 1  -40   10    6 o   7.5870   0.2458   7.1270   0.3708   8.0470   0.3227 -0.9201000 0.4916000 
1 1 1  -40   10    7 o   11.550   0.2089   11.470   0.3321   11.630   0.2535 -0.1644000 0.4178000 
1 1 1  -40   10    8 o   15.660   0.1781   15.500   0.2771   15.820   0.2238 -0.3211000 0.3562000 
1 1 1  -40   10    9 o   21.840   0.1967   21.830   0.3244   21.850   0.2226 -0.2327000E-01 0.3934000 
1 1 1  -40   10   10 o   6.7430   0.4505   5.9040   0.8227   7.5820   0.3673 -1.678000 0.9010000 
1 1 1  -40   10   11 o   21.580   0.2422   21.840   0.4294   21.310   0.2240 0.5340000 0.4844000 
1 1 1  -40   10   12 o   9.0550   0.2738   8.7580   0.4064   9.3510   0.3669 -0.5929000 0.5476000 
1 1 1  -40   10   13 o   3.6220   0.5952   2.8060   0.9581   4.4390   0.7067 -1.634000 1.190000 
1 1 1  -40   10   14 o   15.210   0.2013   15.350   0.2870   15.080   0.2823 0.2678000 0.4025000 
1 1 1  -40   10   15 o   25.130   0.2003   25.220   0.2864   25.040   0.2801 0.1772000 0.4006000 
1 1 1  -40   10   16 o   15.280   0.3478  ?   ?    15.280   0.3478      ?      ? 
1 1 1  -40   10   17 o   7.0430   0.4216   7.1920   0.5871   6.8940   0.6053 0.2980000 0.8433000 
1 1 1  -40   10   18 o   7.6190   0.3295   8.0400   0.4610   7.1980   0.4710 0.8419000 0.6591000 
1 1 1  -40   10   19 o   8.4640   0.3102   8.4860   0.4438   8.4420   0.4335 0.4426000E-01 0.6203000 
1 1 1  -40   10   20 o   13.160   0.2157   13.320   0.2768   13.000   0.3309 0.3198000 0.4314000 
1 1 1  -40   10   21 o   11.710   0.2279   11.730   0.3058   11.690   0.3379 0.3314000E-01 0.4557000 
1 1 1  -40   10   22 o   3.0720   0.6792   2.7350   0.9427   3.4100   0.9780 -0.6751000 1.358000 
1 1 1  -40   10   23 o   18.890   0.2522   18.830   0.3698   18.940   0.3429 -0.1094000 0.5043000 
1 1 1  -40   10   24 o   15.440   0.2117   15.650   0.2830   15.230   0.3150 0.4215000 0.4234000 
1 1 1  -40   10   25 f   6.2620   0.4140   5.9760   0.5898   6.5470   0.5810 -0.5710000 0.8279000 
1 1 1  -40   10   26 o   9.7520   0.2905   9.8480   0.3940   9.6550   0.4271 0.1929000 0.5811000 
1 1 1  -40   10   27 o   5.2640   0.6135   4.9670   0.8375   5.5610   0.8967 -0.5941000 1.227000 
1 1 1  -40   10   28 o   8.9660   0.3164   8.6800   0.4528   9.2520   0.4420 -0.5724000 0.6328000 
1 1 1  -40   10   29 o   2.0690   0.6398   1.7870   0.8295   2.3510   0.9744 -0.5646000 1.280000 
1 1 1  -40   12    1 o   9.3710   0.3769  ?   ?    9.3710   0.3769      ?      ? 
1 1 1  -40   12    2 o   14.230   0.1967   14.290   0.2949   14.180   0.2604 0.1164000 0.3934000 
1 1 1  -40   12    3 o   4.3450   0.5057   4.8490   0.6807   3.8400   0.7480 1.010000 1.011000 
1 1 1  -40   12    4 o   8.9970   0.2480   9.2920   0.3612   8.7020   0.3399 0.5902000 0.4960000 
1 1 1  -40   12    5 o   13.770   0.2137   13.810   0.3082   13.730   0.2960 0.8061000E-01 0.4273000 
1 1 1  -40   12    6 o   17.450   0.2004   17.720   0.2892   17.180   0.2773 0.5452000 0.4007000 
1 1 1  -40   12    7 o   20.110   0.1963   20.130   0.2807   20.090   0.2744 0.4039000E-01 0.3926000 
1 1 1  -40   12    8 o   3.4990   0.6566   3.6790   0.9319   3.3190   0.9252 0.3604000 1.313000 
1 1 1  -40   12    9 f   8.6090   0.2899   8.7710   0.4108   8.4480   0.4090 0.3231000 0.5797000 
1 1 1  -40   12   10 o   6.1360   0.3726   6.4390   0.5634   5.8330   0.4877 0.6061000 0.7452000 
1 1 1  -40   12   11 o   18.880   0.2581   18.660   0.4410   19.100   0.2681 -0.4411000 0.5161000 
1 1 1  -40   12   12 o   6.6440   0.4919   6.7170   0.8314   6.5710   0.5259 0.1458000 0.9837000 
1 1 1  -40   12   13 o   15.100   0.2313   14.940   0.3640   15.260   0.2854 -0.3266000 0.4626000 
1 1 1  -40   12   14 o   2.2620   0.6342   2.7430   0.9930   1.7800   0.7893 0.9633000 1.268000 
1 1 1  -40   12   15 o   15.520   0.1957   15.510   0.3041   15.530   0.2465 -0.2331000E-01 0.3915000 
1 1 1  -40   12   16 o   2.5150   0.6876   2.4560   0.9767   2.5740   0.9681 -0.1186000 1.375000 
1 1 1  -40   12   17 o   2.6640   0.6248   1.7280   0.8124   3.5990   0.9495 -1.871000 1.250000 
1 1 1  -40   12   18 o   6.0260   0.4360   5.6310   0.6708   6.4210   0.5573 -0.7899000 0.8721000 
1 1 1  -40   12   19 o   3.1750   0.6631   2.4470   0.9828   3.9040   0.8903 -1.456000 1.326000 
1 1 1  -40   12   20 o   11.240   0.2670   11.000   0.3964   11.480   0.3578 -0.4756000 0.5340000 
1 1 1  -40   12   21 o   7.2800   0.6949   5.7410   1.2920   8.8190   0.5111 -3.078000 1.390000 
1 1 1  -40   12   22 o   8.5670   0.3709   8.3840   0.5787   8.7490   0.4642 -0.3653000 0.7419000 
1 1 1  -40   12   23 o   5.8490   0.5020   5.0310   0.8289   6.6670   0.5667 -1.636000 1.004000 
1 1 1  -40   12   24 o   5.4600   0.6054   6.4670   0.5554   4.4540   1.0760 2.013000 1.211000 
1 1 1  -40   12   25 o   9.1820   0.3067   8.9220   0.4199   9.4430   0.4471 -0.5210000 0.6133000 
1 1 1  -40   12   26 o   7.1530   0.4661   7.2870   0.5770   7.0180   0.7321 0.2698000 0.9322000 
1 1 1  -40   12   27 f   12.550   0.2719   12.220   0.3986   12.880   0.3698 -0.6656000 0.5437000 
1 1 1  -40   12   28 o   5.8110   0.4846   5.5830   0.6962   6.0390   0.6742 -0.4559000 0.9692000 
1 1 1  -40   14    1 f   5.7880   0.4410   5.3410   0.6990   6.2350   0.5379 -0.8940000 0.8820000 
1 1 1  -40   14    2 o   6.5340   0.3756   6.3520   0.5807   6.7170   0.4766 -0.3648000 0.7512000 
1 1 1  -40   14    3 o   11.310   0.2324   11.380   0.3447   11.240   0.3119 0.1407000 0.4648000 
1 1 1  -40   14    4 o   11.540   0.2110   11.560   0.2991   11.520   0.2978 0.3922000E-01 0.4220000 
1 1 1  -40   14    5 o   5.5520   0.4063   6.1830   0.5195   4.9220   0.6247 1.261000 0.8125000 
1 1 1  -40   14    6 o   4.8460   0.4547   5.3680   0.5744   4.3230   0.7050 1.045000 0.9094000 
1 1 1  -40   14    7 o   16.710   0.1962   16.890   0.3022   16.530   0.2504 0.3646000 0.3924000 
1 1 1  -40   14    8 o   2.6410   0.6747   2.7430   0.9969   2.5390   0.9094 0.2032000 1.349000 
1 1 1  -40   14    9 o   14.640   0.2052   14.670   0.3139   14.600   0.2645 0.6622000E-01 0.4104000 
1 1 1  -40   14   10 o   3.8590   0.6233   3.9090   0.9571   3.8090   0.7986 0.1006000 1.247000 
1 1 1  -40   14   11 o   9.4890   0.2741   9.4020   0.4335   9.5760   0.3354 -0.1737000 0.5481000 
1 1 1  -40   14   12 o   16.680   0.2299   16.260   0.3854   17.100   0.2509 -0.8417000 0.4599000 
1 1 1  -40   14   13 o   8.9170   0.4098   8.9130   0.7261   8.9210   0.3802 -0.8319000E-02 0.8196000 
1 1 1  -40   14   14 o   11.360   0.2687   11.330   0.4410   11.390   0.3070 -0.6108000E-01 0.5373000 
1 1 1  -40   14   15 o   15.220   0.2048   15.290   0.3148   15.150   0.2621 0.1341000 0.4096000 
1 1 1  -40   14   16 o   7.1240   0.3482   7.3530   0.5263   6.8950   0.4561 0.4587000 0.6964000 
1 1 1  -40   14   17 o   3.8810   0.7517   3.1810   1.1580   4.5810   0.9582 -1.400000 1.503000 
1 1 1  -40   14   18 o   5.0370   0.6817   4.3830   1.1320   5.6910   0.7599 -1.308000 1.363000 
1 1 1  -40   14   19 o   11.240   0.2765   11.150   0.3980   11.330   0.3840 -0.1805000 0.5530000 
1 1 1  -40   14   20 o   4.0460   0.6940   3.4250   1.1280   4.6670   0.8081 -1.242000 1.388000 
1 1 1  -40   14   21 o   4.9240   0.5842   4.6080   0.9056   5.2410   0.7384 -0.6337000 1.168000 
1 1 1  -40   14   22 o   11.490   0.2821   11.600   0.3973   11.380   0.4006 0.2203000 0.5642000 
1 1 1  -40   14   23 o   6.3660   0.4655   6.1910   0.6762   6.5420   0.6398 -0.3512000 0.9309000 
1 1 1  -40   14   24 o   3.5730   0.7360   3.2040   1.0570   3.9410   1.0250 -0.7372000 1.472000 
1 1 1  -40   14   25 o   4.9780   0.6959   4.5540   0.9580   5.4020   1.0100 -0.8479000 1.392000 
1 1 1  -40   14   26 o   6.7710   0.4459   6.8970   0.6254   6.6450   0.6358 0.2513000 0.8919000 
1 1 1  -40   14   27 o   1.8650   0.6156   1.6790   0.8112   2.0500   0.9261 -0.3710000 1.231000 
1 1 1  -40   16    1 o   4.1990   0.6122   4.1330   0.9170   4.2650   0.8113 -0.1320000 1.224000 
1 1 1  -40   16    2 o   5.4180   0.4585   5.5530   0.6609   5.2840   0.6357 0.2689000 0.9170000 
1 1 1  -40   16    3 f   4.5540   0.5760   3.6660   0.9727   5.4420   0.6172 -1.776000 1.152000 
1 1 1  -40   16    4 o   6.1380   0.3791   6.1640   0.5273   6.1130   0.5448 0.5100000E-01 0.7582000 
1 1 1  -40   16    5 o   4.1700   0.5774   5.3710   0.6297   2.9690   0.9681 2.402000 1.155000 
1 1 1  -40   16    6 o   7.2610   0.3222   6.9340   0.4700   7.5890   0.4409 -0.6548000 0.6444000 
1 1 1  -40   16    7 o   3.2280   0.6417   2.9030   0.9250   3.5540   0.8898 -0.6508000 1.283000 
1 1 1  -40   16    8 f   6.6080   0.3883   6.7500   0.5806   6.4660   0.5159 0.2832000 0.7767000 
1 1 1  -40   16    9 o   5.5950   0.4580   6.0640   0.6558   5.1250   0.6395 0.9396000 0.9160000 
1 1 1  -40   16   10 o   7.8610   0.3285   8.3870   0.4771   7.3350   0.4518 1.052000 0.6571000 
1 1 1  -40   16   11 o   6.7500   0.4112   5.9220   0.6974   7.5780   0.4359 -1.656000 0.8224000 
1 1 1  -40   16   12 o   3.5040   0.7089   2.7990   1.1360   4.2100   0.8481 -1.411000 1.418000 
1 1 1  -40   16   13 o   9.5950   0.3416   9.3400   0.5637   9.8500   0.3861 -0.5103000 0.6832000 
1 1 1  -40   16   14 o   18.940   0.2993   18.790   0.5188   19.090   0.2987 -0.2972000 0.5987000 
1 1 1  -40   16   15 o   8.9960   0.3505   9.2730   0.5688   8.7180   0.4096 0.5552000 0.7010000 
1 1 1  -40   16   16 o   8.6320   0.3138   8.9400   0.4782   8.3240   0.4066 0.6167000 0.6277000 
1 1 1  -40   16   17 o   5.0530   0.6455   4.5450   1.0820   5.5620   0.7046 -1.017000 1.291000 
1 1 1  -40   16   18 o   5.6340   0.5817   6.4840   0.7824   4.7840   0.8610 1.700000 1.163000 
1 1 1  -40   16   19 o   1.9010   0.6201   1.9410   0.8895   1.8600   0.8642 0.8068000E-01 1.240000 
1 1 1  -40   16   20 o   7.8580   0.3827   8.0000   0.5426   7.7150   0.5399 0.2850000 0.7654000 
1 1 1  -40   16   21 o   17.470   0.2348   17.540   0.3355   17.400   0.3285 0.1459000 0.4696000 
1 1 1  -40   16   22 o   4.2760   0.6842   4.0390   1.0170   4.5120   0.9152 -0.4731000 1.368000 
1 1 1  -40   16   23 o   5.5680   0.5674   5.0130   0.8789   6.1220   0.7180 -1.109000 1.135000 
1 1 1  -40   16   24 o   6.6890   0.5396   6.9830   0.6296   6.3960   0.8766 0.5869000 1.079000 
1 1 1  -40   16   25 o   4.3060   0.7055   3.8140   1.0620   4.7980   0.9287 -0.9841000 1.411000 
1 1 1  -40   18    1 o   3.3200   0.8005   2.9590   1.1650   3.6810   1.0980 -0.7215000 1.601000 
1 1 1  -40   18    2 o   2.8880   0.7667   2.3880   1.0500   3.3880   1.1170 -1.000000 1.533000 
1 1 1  -40   18    3 o   10.230   0.3074   9.9200   0.4174   10.540   0.4514 -0.6189000 0.6148000 
1 1 1  -40   18    4 o   6.8220   0.3710   6.8770   0.5216   6.7680   0.5276 0.1095000 0.7419000 
1 1 1  -40   18    5 o   2.8030   0.6674   2.1990   0.9196   3.4060   0.9674 -1.207000 1.335000 
1 1 1  -40   18    6 o   9.9010   0.2617   9.5930   0.3775   10.210   0.3624 -0.6172000 0.5233000 
1 1 1  -40   18    7 o   9.8490   0.2629   9.6900   0.3778   10.010   0.3656 -0.3174000 0.5257000 
1 1 1  -40   18    8 o   11.960   0.2534   11.660   0.3925   12.250   0.3207 -0.5874000 0.5069000 
1 1 1  -40   18    9 o   2.9300   0.6874   2.4450   1.0020   3.4150   0.9415 -0.9703000 1.375000 
1 1 1  -40   18   10 o   12.610   0.2500   12.680   0.3853   12.550   0.3185 0.1262000 0.4999000 
1 1 1  -40   18   11 o   3.1580   0.6959   2.6620   1.0490   3.6540   0.9145 -0.9914000 1.392000 
1 1 1  -40   18   12 o   7.2640   0.4331   7.5100   0.6157   7.0170   0.6093 0.4939000 0.8663000 
1 1 1  -40   18   13 o   10.100   0.3676  10.0000   0.5873   10.200   0.4421 -0.1983000 0.7351000 
1 1 1  -40   18   14 o   2.9680   0.8211   2.6990   1.2420   3.2380   1.0750 -0.5393000 1.642000 
1 1 1  -40   18   15 o   3.8930   0.8361   4.8010   1.3360   2.9860   1.0050 1.815000 1.672000 
1 1 1  -40   18   16 o   5.2460   0.5957   5.6220   0.9093   4.8700   0.7700 0.7526000 1.191000 
1 1 1  -40   18   17 f   4.8130   0.5817   4.8370   0.8872   4.7890   0.7525 0.4835000E-01 1.163000 
1 1 1  -40   18   18 o   3.0580   0.6923   3.9160   1.0350   2.1990   0.9193 1.718000 1.385000 
1 1 1  -40   18   19 o   6.2700   0.4456   6.5090   0.6569   6.0300   0.6024 0.4794000 0.8913000 
1 1 1  -40   18   20 o   2.7140   0.6662   1.9620   0.9020   3.4660   0.9806 -1.504000 1.332000 
1 1 1  -40   18   21 o   4.8740   0.7040   5.0180   0.8695   4.7310   1.1070 0.2867000 1.408000 
1 1 1  -40   18   22 o   5.8680   0.6457   7.1340   0.6261   4.6010   1.1300 2.533000 1.291000 
1 1 1  -40   18   23 o   4.7220   0.6662   5.3610   0.8319   4.0830   1.0410 1.279000 1.332000 
1 1 1  -40   18   24 o   1.9810   0.9851   1.9810   0.9851  ?   ?       ?      ? 
1 1 1  -40   20    1 o   2.7550   0.6962   2.1430   0.9505   3.3660   1.0180 -1.223000 1.392000 
1 1 1  -40   20    2 o   2.0630   0.6480   2.0920   0.9302   2.0350   0.9024 0.5713000E-01 1.296000 
1 1 1  -40   20    3 o   3.5800   0.6649   2.5910   1.0330   4.5690   0.8375 -1.977000 1.330000 
1 1 1  -40   20    4 o   2.8660   0.7048   2.5130   0.9847   3.2180   1.0090 -0.7052000 1.410000 
1 1 1  -40   20    5 o   4.2630   0.6213   4.8980   0.7718   3.6280   0.9737 1.270000 1.243000 
1 1 1  -40   20    6 o   5.5050   0.4731   5.5260   0.6683   5.4840   0.6697 0.4219000E-01 0.9461000 
1 1 1  -40   20    7 o   10.330   0.2834   10.370   0.3767   10.290   0.4234 0.7681000E-01 0.5668000 
1 1 1  -40   20    8 f   3.0510   0.7211   3.7370   1.0800   2.3650   0.9558 1.372000 1.442000 
1 1 1  -40   20    9 o   7.3000   0.4140   6.8030   0.6725   7.7980   0.4831 -0.9949000 0.8281000 
1 1 1  -40   20   10 o   4.8830   0.5945   4.5610   0.9614   5.2060   0.6995 -0.6450000 1.189000 
1 1 1  -40   20   11 o   2.8050   0.6750   3.7970   1.0660   1.8140   0.8283 1.983000 1.350000 
1 1 1  -40   20   12 o   4.3480   0.6563   4.4920   0.9950   4.2050   0.8560 0.2869000 1.313000 
1 1 1  -40   20   13 o   7.6620   0.3834   7.4690   0.5992   7.8550   0.4785 -0.3865000 0.7668000 
1 1 1  -40   20   14 o   10.750   0.2914   10.590   0.4521   10.910   0.3677 -0.3180000 0.5827000 
1 1 1  -40   20   15 o   8.4090   0.4076   8.4030   0.6844   8.4140   0.4429 -0.1055000E-01 0.8152000 
1 1 1  -40   20   16 o   3.1850   0.8218   3.0320   1.3000   3.3380   1.0060 -0.3055000 1.644000 
1 1 1  -40   20   17 o   2.3270   0.6855   1.9350   0.9252   2.7180   1.0120 -0.7830000 1.371000 
1 1 1  -40   20   18 o   5.8870   0.5338   6.0100   0.7483   5.7640   0.7616 0.2461000 1.068000 
1 1 1  -40   20   19 o   2.3330   0.7050   2.2640   0.9828   2.4020   1.0110 -0.1380000 1.410000 
1 1 1  -40   20   20 o   3.6520   0.7180   3.1790   1.1070   4.1260   0.9147 -0.9475000 1.436000 
1 1 1  -40   20   21 o   6.6760   0.5531   6.5420   0.8650   6.8110   0.6894 -0.2688000 1.106000 
1 1 1  -40   22    1 o   5.2050   0.7274   5.8340   1.0330   4.5760   1.0250 1.258000 1.455000 
1 1 1  -40   22    2 o   9.1270   0.4264   9.1510   0.6651   9.1030   0.5338 0.4793000E-01 0.8528000 
1 1 1  -40   22    3 o   9.9320   0.3323   9.9630   0.5084   9.9000   0.4279 0.6355000E-01 0.6645000 
1 1 1  -40   22    4 o   2.8310   0.7021   3.4580   1.0370   2.2050   0.9474 1.253000 1.404000 
1 1 1  -40   22    5 o   4.3760   0.6299   3.9580   0.9637   4.7930   0.8115 -0.8349000 1.260000 
1 1 1  -40   22    6 o   2.5780   0.7060   2.6080   1.0000   2.5470   0.9964 0.6161000E-01 1.412000 
1 1 1  -40   22    7 o   5.0860   0.5394   4.4570   0.8551   5.7140   0.6577 -1.256000 1.079000 
1 1 1  -40   22    8 o   3.8510   0.7153   4.2960   1.0280   3.4060   0.9945 0.8902000 1.431000 
1 1 1  -40   22    9 o   2.5630   0.7228   2.6170   1.0610   2.5090   0.9814 0.1079000 1.446000 
1 1 1  -40   22   10 o   2.4850   0.7208   2.5540   1.0580   2.4150   0.9787 0.1386000 1.442000 
1 1 1  -40   22   11 o   3.0410   0.7536   3.4370   1.1270   2.6460   1.0000 0.7912000 1.507000 
1 1 1  -40   22   12 o   4.8130   0.6462   3.8810   1.1100   5.7440   0.6626 -1.862000 1.292000 
1 1 1  -40   22   13 o   6.7520   0.4871   6.8440   0.7056   6.6590   0.6719 0.1852000 0.9743000 
1 1 1  -40   22   14 o   9.5830   0.3605   10.050   0.4994   9.1140   0.5199 0.9366000 0.7209000 
1 1 1  -40   22   15 o   2.9290   0.7502   2.4910   1.0440   3.3670   1.0780 -0.8759000 1.500000 
1 1 1  -40   22   16 o   3.2740   0.8806   3.2950   1.3560   3.2540   1.1240 0.4097000E-01 1.761000 
1 1 1  -40   22   17 o   6.6300   0.7340   6.1890   1.2890   7.0710   0.7023 -0.8813000 1.468000 
1 1 1  -40   22   18 o   2.0870   0.6770   1.6780   0.8305   2.4970   1.0690 -0.8192000 1.354000 
1 1 1  -40   22   19 f   2.6730   0.8841   2.9290   1.3340   2.4170   1.1600 0.5122000 1.768000 
1 1 1  -40   24    1 o   3.3060   0.7599   2.3810   1.0690   4.2320   1.0810 -1.851000 1.520000 
1 1 1  -40   24    2 o   3.3440   0.8371   3.4170   1.2300   3.2720   1.1360 0.1445000 1.674000 
1 1 1  -40   24    3 o   4.9670   0.7723   4.9960   1.1890   4.9380   0.9856 0.5758000E-01 1.545000 
1 1 1  -40   24    4 o   2.8980   0.7780   3.4100   1.1630   2.3850   1.0330 1.024000 1.556000 
1 1 1  -40   24    5 o   2.3050   0.7142   2.3370   1.0190   2.2740   1.0010 0.6369000E-01 1.428000 
1 1 1  -40   24    6 f   3.3590   0.7678   2.7090   1.0690   4.0100   1.1020 -1.301000 1.536000 
1 1 1  -40   24    7 o   2.4430   0.7310   2.5970   1.0690   2.2880   0.9976 0.3096000 1.462000 
1 1 1  -40   24    8 o   7.6770   0.6187  ?   ?    7.6770   0.6187      ?      ? 
1 1 1  -40   24    9 o   3.8000   0.8366   4.1680   1.2430   3.4320   1.1200 0.7363000 1.673000 
1 1 1  -40   24   10 o   2.4980   0.7415   2.1010   0.9901   2.8950   1.1040 -0.7945000 1.483000 
1 1 1  -40   24   11 o   5.2070   0.6651   5.1570   0.9745   5.2570   0.9055 -0.9935000E-01 1.330000 
1 1 1  -40   24   12 o   2.6100   0.6877   1.9070   0.9055   3.3140   1.0350 -1.407000 1.375000 
1 1 1  -40   24   13 o   2.2440   0.6961   2.2380   1.0050   2.2500   0.9636 -0.1191000E-01 1.392000 
1 1 1  -40   24   14 o   4.7870   0.6688   3.9100   1.1360   5.6650   0.7070 -1.755000 1.338000 
1 1 1  -40   24   15 o   3.5120   0.8537   2.5910   1.2080   4.4330   1.2060 -1.842000 1.707000 
1 1 1  -40   26    1 f   3.3660   0.7890   3.2880   1.1610   3.4440   1.0690 -0.1560000 1.578000 
1 1 1  -40   26    2 o   2.0840   0.6671   2.4960   1.0630   1.6710   0.8065 0.8244000 1.334000 
1 1 1  -40   26    3 o   2.1360   0.6736   1.8360   0.8845   2.4350   1.0160 -0.5990000 1.347000 
1 1 1  -40   26    4 o   2.4450   0.7178   2.3130   0.9982   2.5780   1.0320 -0.2648000 1.436000 
1 1 1  -40   26    5 o   2.5890   0.7294   2.5500   1.0280   2.6280   1.0350 -0.7745000E-01 1.459000 
1 1 1  -40   26    6 o   1.9700   0.6322   1.7360   0.8281   2.2040   0.9554 -0.4682000 1.264000 
1 1 1  -40   26    7 o   3.3650   0.7425   3.8590   1.0490   2.8710   1.0510 0.9875000 1.485000 
1 1 1  -39    1    1 o   38.240   0.2605   38.150   0.4032   38.330   0.3298 -0.1779000 0.5209000 
1 1 1  -39    1    3 o   24.860   0.2009   25.210   0.2826   24.510   0.2855 0.6998000 0.4017000 
1 1 1  -39    1    4 o   11.360   0.2029   11.520   0.1928   11.200   0.3571 0.3258000 0.4059000 
1 1 1  -39    1    5 o   17.950   0.3353  ?   ?    17.950   0.3353      ?      ? 
1 1 1  -39    1    6 o   38.190   0.3956  ?   ?    38.190   0.3956      ?      ? 
1 1 1  -39    1    7 o   14.690   0.2276  ?   ?    14.690   0.2276      ?      ? 
1 1 1  -39    1    8 o   19.030   0.2461   18.880   0.3388   19.180   0.3571 -0.2970000 0.4922000 
1 1 1  -39    1    9 o   43.530   0.3157   43.290   0.4442   43.780   0.4488 -0.4906000 0.6315000 
1 1 1  -39    1   10 o   24.130   0.1357   24.350   0.1929   23.910   0.1908 0.4396000 0.2713000 
1 1 1  -39    1   11 o   26.950   0.1733   26.920   0.2455   26.980   0.2446 -0.6068000E-01 0.3466000 
1 1 1  -39    1   12 o   10.950   0.1382   10.790   0.1980   11.100   0.1930 -0.3048000 0.2764000 
1 1 1  -39    1   13 o   23.370   0.1418   23.550   0.2027   23.180   0.1985 0.3746000 0.2837000 
1 1 1  -39    1   14 f   22.880   0.1430   22.710   0.2022   23.050   0.2023 -0.3347000 0.2860000 
1 1 1  -39    1   15 o   13.950   0.1626   14.110   0.2343   13.790   0.2256 0.3220000 0.3252000 
1 1 1  -39    1   16 o   20.740   0.1662   20.850   0.2337   20.630   0.2365 0.2213000 0.3325000 
1 1 1  -39    1   17 o   3.8420   0.4468   4.5350   0.5155   3.1480   0.7300 1.387000 0.8937000 
1 1 1  -39    1   18 o   21.440   0.1516   21.470   0.2150   21.410   0.2138 0.5845000E-01 0.3032000 
1 1 1  -39    1   19 o   9.0700   0.2130   8.5620   0.3177   9.5790   0.2838 -1.017000 0.4260000 
1 1 1  -39    1   20 o   11.620   0.1836   11.650   0.2627   11.590   0.2566 0.6253000E-01 0.3672000 
1 1 1  -39    1   21 o   11.570   0.1859   11.710   0.2626   11.420   0.2632 0.2935000 0.3718000 
1 1 1  -39    1   22 o   11.430   0.1936   11.190   0.2815   11.680   0.2659 -0.4810000 0.3872000 
1 1 1  -39    1   23 o   5.8340   0.4495   5.9290   0.5638   5.7400   0.7003 0.1893000 0.8990000 
1 1 1  -39    1   24 o   15.380   0.2108   15.080   0.3044   15.690   0.2917 -0.6101000 0.4216000 
1 1 1  -39    1   25 o   5.0820   0.4563   4.9100   0.6361   5.2530   0.6545 -0.3427000 0.9127000 
1 1 1  -39    1   26 o   15.450   0.2028   15.390   0.2697   15.500   0.3029 -0.1070000 0.4056000 
1 1 1  -39    1   27 o   14.670   0.2120   14.580   0.2786   14.760   0.3197 -0.1725000 0.4240000 
1 1 1  -39    1   28 o   18.850   0.3223   18.540   0.3827   19.150   0.5187 -0.6091000 0.6446000 
1 1 1  -39    1   29 o   11.960   0.2527   11.640   0.3404   12.280   0.3736 -0.6358000 0.5054000 
1 1 1  -39    1   30 o   2.8480   0.7072   3.0330   0.9869   2.6630   1.0130 0.3706000 1.414000 
1 1 1  -39    1   31 o   8.4160   0.3378   8.3040   0.4556   8.5280   0.4989 -0.2243000 0.6756000 
1 1 1  -39    3    1 o   16.080   0.2598   15.570   0.2728   16.590   0.4423 -1.019000 0.5196000 
1 1 1  -39    3    2 o   26.670   0.2244   26.810   0.3106   26.520   0.3239 0.2882000 0.4488000 
1 1 1  -39    3    3 o   50.810   0.3367   51.200   0.5240   50.430   0.4230 0.7631000 0.6735000 
1 1 1  -39    3    4 o   29.550   0.2649   29.620   0.4785   29.470   0.2275 0.1532000 0.5298000 
1 1 1  -39    3    5 o   25.760   0.2662   25.860   0.4348   25.660   0.3073 0.2031000 0.5324000 
1 1 1  -39    3    6 f   24.180   0.2536   23.100   0.4066   25.260   0.3031 -2.156000 0.5072000 
1 1 1  -39    3    7 o   45.230   0.4686  ?   ?    45.230   0.4686      ?      ? 
1 1 1  -39    3    8 o   34.000   0.3682  ?   ?    34.000   0.3682      ?      ? 
1 1 1  -39    3    9 o   13.030   0.1998   13.260   0.2799   12.790   0.2852 0.4674000 0.3996000 
1 1 1  -39    3   10 o   31.270   0.1955   31.450   0.2781   31.080   0.2748 0.3685000 0.3909000 
1 1 1  -39    3   11 o   18.870   0.1458   18.660   0.2034   19.090   0.2090 -0.4331000 0.2917000 
1 1 1  -39    3   12 o   17.810   0.1521   17.660   0.2160   17.950   0.2143 -0.2912000 0.3043000 
1 1 1  -39    3   13 o   32.340   0.2269   32.750   0.2922   31.930   0.3471 0.8236000 0.4537000 
1 1 1  -39    3   14 o   30.000   0.2172   30.080   0.2778   29.910   0.3339 0.1751000 0.4343000 
1 1 1  -39    3   15 o   3.4240   0.5071   3.8150   0.6190   3.0320   0.8033 0.7831000 1.014000 
1 1 1  -39    3   16 o   13.420   0.2086   13.200   0.2604   13.630   0.3260 -0.4341000 0.4172000 
1 1 1  -39    3   17 o   30.200   0.1897   30.270   0.2489   30.120   0.2863 0.1541000 0.3793000 
1 1 1  -39    3   18 o   11.440   0.1916   11.510   0.2541   11.360   0.2869 0.1506000 0.3832000 
1 1 1  -39    3   19 o   8.7620   0.2368   8.9030   0.3124   8.6200   0.3559 0.2829000 0.4735000 
1 1 1  -39    3   20 o   17.440   0.1697   17.770   0.2256   17.120   0.2536 0.6466000 0.3394000 
1 1 1  -39    3   21 o   14.290   0.1809   14.150   0.2418   14.430   0.2692 -0.2788000 0.3619000 
1 1 1  -39    3   22 o   22.100   0.2682   22.100   0.2682  ?   ?       ?      ? 
1 1 1  -39    3   23 o   5.9690   0.4163   6.0210   0.4850   5.9170   0.6768 0.1045000 0.8327000 
1 1 1  -39    3   24 o   6.0220   0.4084   5.4660   0.6383   6.5790   0.5096 -1.113000 0.8167000 
1 1 1  -39    3   25 o   18.660   0.1883   18.870   0.2491   18.460   0.2825 0.4104000 0.3766000 
1 1 1  -39    3   26 o   19.000   0.1916   19.020   0.2554   18.990   0.2856 0.2736000E-01 0.3832000 
1 1 1  -39    3   27 o   19.210   0.2313   19.620   0.3035   18.800   0.3492 0.8237000 0.4627000 
1 1 1  -39    3   28 o   10.070   0.3327   10.350   0.4066   9.7910   0.5267 0.5617000 0.6654000 
1 1 1  -39    3   29 o   8.6230   0.3204   8.9230   0.4203   8.3240   0.4837 0.5999000 0.6408000 
1 1 1  -39    3   30 o   2.1100   0.6484   2.0080   0.8874   2.2120   0.9456 -0.2046000 1.297000 
1 1 1  -39    3   31 o   2.7800   0.7109   2.3280   0.9539   3.2310   1.0540 -0.9038000 1.422000 
1 1 1  -39    5    1 o   9.6970   0.1913   9.6010   0.2730   9.7940   0.2680 -0.1930000 0.3826000 
1 1 1  -39    5    3 o   28.830   0.2099   29.070   0.2635   28.590   0.3268 0.4767000 0.4198000 
1 1 1  -39    5    4 o   23.800   0.1727   23.820   0.2265   23.790   0.2608 0.3323000E-01 0.3454000 
1 1 1  -39    5    5 o   10.550   0.2869   10.930   0.5347   10.180   0.2083 0.7457000 0.5739000 
1 1 1  -39    5    6 o   24.200   0.2231   24.310   0.3157   24.100   0.3153 0.2064000 0.4462000 
1 1 1  -39    5    7 o   10.200   0.2642   10.230   0.3662   10.170   0.3808 0.6235000E-01 0.5283000 
1 1 1  -39    5    8 o   21.210   0.2801   19.740   0.4672   22.690   0.3091 -2.948000 0.5602000 
1 1 1  -39    5    9 o   19.520   0.1814   19.280   0.3064   19.760   0.1943 -0.4752000 0.3628000 
1 1 1  -39    5   10 o   10.200   0.1542   10.030   0.2348   10.360   0.1999 -0.3318000 0.3084000 
1 1 1  -39    5   11 o   12.970   0.1831   13.470   0.2619   12.470   0.2560 1.004000 0.3662000 
1 1 1  -39    5   12 o   36.510   0.2120   36.730   0.2787   36.290   0.3196 0.4338000 0.4240000 
1 1 1  -39    5   13 o   12.010   0.1667   12.060   0.2214   11.950   0.2493 0.1104000 0.3334000 
1 1 1  -39    5   14 o   15.290   0.1747   15.350   0.2148   15.220   0.2755 0.1355000 0.3494000 
1 1 1  -39    5   15 o   19.490   0.1622   19.480   0.2141   19.500   0.2437 -0.1582000E-01 0.3244000 
1 1 1  -39    5   16 o   3.4950   0.6562   3.2090   0.8816   3.7820   0.9720 -0.5727000 1.312000 
1 1 1  -39    5   17 o   4.4520   0.4379   4.4940   0.5748   4.4090   0.6609 0.8453000E-01 0.8759000 
1 1 1  -39    5   18 o   18.540   0.1682   18.740   0.2243   18.340   0.2508 0.4021000 0.3364000 
1 1 1  -39    5   19 o   2.1520   0.6024   2.1200   0.8342   2.1850   0.8693 -0.6458000E-01 1.205000 
1 1 1  -39    5   20 o   21.790   0.1756   21.710   0.2305   21.870   0.2650 -0.1665000 0.3512000 
1 1 1  -39    5   21 o   18.910   0.2110   18.820   0.2669   19.000   0.3269 -0.1838000 0.4220000 
1 1 1  -39    5   22 o   4.5180   0.6454   4.5180   0.6454  ?   ?       ?      ? 
1 1 1  -39    5   23 o   12.200   0.2112   12.180   0.2843   12.210   0.3124 -0.3291000E-01 0.4224000 
1 1 1  -39    5   24 o   20.920   0.2006   21.010   0.2862   20.830   0.2812 0.1794000 0.4012000 
1 1 1  -39    5   25 o   12.120   0.2232   12.040   0.3046   12.200   0.3264 -0.1594000 0.4465000 
1 1 1  -39    5   26 o   22.040   0.2278   21.750   0.3003   22.320   0.3426 -0.5715000 0.4556000 
1 1 1  -39    5   27 o   18.590   0.2006   18.670   0.2663   18.510   0.3001 0.1600000 0.4012000 
1 1 1  -39    5   28 o   5.8260   0.5531   5.9660   0.6591   5.6870   0.8885 0.2784000 1.106000 
1 1 1  -39    5   29 o   15.040   0.2204   14.970   0.2964   15.110   0.3263 -0.1406000 0.4408000 
1 1 1  -39    5   30 o   8.7840   0.3179   8.8690   0.4225   8.6990   0.4751 0.1703000 0.6358000 
1 1 1  -39    5   31 o   10.320   0.2885   10.210   0.3893   10.430   0.4259 -0.2192000 0.5770000 
1 1 1  -39    7    1 f   10.470   0.2327   11.080   0.3695   9.8640   0.2831 1.214000 0.4655000 
1 1 1  -39    7    2 o   19.350   0.1574   19.450   0.2324   19.260   0.2124 0.1923000 0.3148000 
1 1 1  -39    7    3 o   4.2490   0.3909   4.4720   0.5429   4.0260   0.5626 0.4462000 0.7818000 
1 1 1  -39    7    4 o   14.280   0.1973   14.540   0.2937   14.030   0.2635 0.5127000 0.3945000 
1 1 1  -39    7    5 o   27.620   0.2139   27.970   0.3304   27.260   0.2717 0.7182000 0.4278000 
1 1 1  -39    7    6 o   29.200   0.1978   28.970   0.2765   29.420   0.2830 -0.4413000 0.3957000 
1 1 1  -39    7    7 o   20.490   0.1695   20.360   0.2344   20.630   0.2447 -0.2690000 0.3389000 
1 1 1  -39    7    8 o   10.340   0.2502   10.830   0.3999   9.8430   0.3007 0.9896000 0.5004000 
1 1 1  -39    7    9 o   2.4300   0.6599   2.4240   0.9985   2.4350   0.8630 -0.1035000E-01 1.320000 
1 1 1  -39    7   10 o   34.140   0.2657  ?   ?    34.140   0.2657      ?      ? 
1 1 1  -39    7   11 o   13.970   0.2238   13.680   0.3980   14.260   0.2048 -0.5772000 0.4476000 
1 1 1  -39    7   12 o   9.6600   0.2508   9.3630   0.3983   9.9570   0.3050 -0.5938000 0.5017000 
1 1 1  -39    7   13 o   11.250   0.1902   11.530   0.2438   10.970   0.2920 0.5570000 0.3804000 
1 1 1  -39    7   14 o   5.6860   0.3386   5.8000   0.4376   5.5710   0.5169 0.2285000 0.6773000 
1 1 1  -39    7   15 o   24.990   0.2177   25.050   0.2731   24.940   0.3391 0.1075000 0.4354000 
1 1 1  -39    7   16 f   29.420   0.1923   29.360   0.2509   29.490   0.2915 -0.1343000 0.3846000 
1 1 1  -39    7   17 o   29.270   0.1934   29.270   0.2537   29.270   0.2919 0.1354000E-03 0.3868000 
1 1 1  -39    7   18 o   12.530   0.1979   12.570   0.2688   12.500   0.2906 0.6082000E-01 0.3959000 
1 1 1  -39    7   19 o   5.0480   0.4203   5.1940   0.5536   4.9010   0.6325 0.2922000 0.8406000 
1 1 1  -39    7   20 o   13.430   0.2326   13.430   0.2940   13.420   0.3605 0.6112000E-02 0.4652000 
1 1 1  -39    7   21 o   13.490   0.1971   13.130   0.2655   13.840   0.2914 -0.7108000 0.3942000 
1 1 1  -39    7   22 o   9.3250   0.2529   9.5010   0.3386   9.1490   0.3757 0.3518000 0.5058000 
1 1 1  -39    7   23 o   17.630   0.2050   17.480   0.2995   17.770   0.2800 -0.2979000 0.4100000 
1 1 1  -39    7   24 o   6.6060   0.3874   6.6810   0.5620   6.5310   0.5335 0.1508000 0.7749000 
1 1 1  -39    7   25 o   10.320   0.2972   10.030   0.4134   10.610   0.4269 -0.5863000 0.5943000 
1 1 1  -39    7   26 o   18.590   0.1991   18.230   0.2671   18.950   0.2954 -0.7209000 0.3982000 
1 1 1  -39    7   27 o   11.210   0.2562   11.280   0.3404   11.140   0.3830 0.1409000 0.5124000 
1 1 1  -39    7   28 o   3.8650   0.7411   4.1910   0.9422   3.5390   1.1440 0.6520000 1.482000 
1 1 1  -39    7   29 o   5.5110   0.4800   5.1680   0.6929   5.8540   0.6644 -0.6852000 0.9600000 
1 1 1  -39    7   30 o   5.5120   0.4948   5.0380   0.7329   5.9870   0.6650 -0.9488000 0.9896000 
1 1 1  -39    7   31 o   3.4930   1.4650   3.4930   1.4650  ?   ?       ?      ? 
1 1 1  -39    9    1 o   8.8910   0.2481   8.9860   0.3593   8.7960   0.3422 0.1898000 0.4962000 
1 1 1  -39    9    2 o   25.070   0.1787   25.120   0.2671   25.030   0.2375 0.9826000E-01 0.3574000 
1 1 1  -39    9    3 o   10.200   0.2163   9.9380   0.3111   10.460   0.3007 -0.5170000 0.4326000 
1 1 1  -39    9    4 o   12.530   0.1783   12.360   0.2649   12.700   0.2388 -0.3397000 0.3567000 
1 1 1  -39    9    5 o   13.950   0.1680   14.030   0.2473   13.860   0.2274 0.1761000 0.3360000 
1 1 1  -39    9    6 o   15.400   0.2141   15.810   0.3683   14.980   0.2185 0.8381000 0.4283000 
1 1 1  -39    9    7 o   13.620   0.1790   13.670   0.2793   13.570   0.2241 0.1034000 0.3581000 
1 1 1  -39    9    8 o   6.2420   0.3093   6.3850   0.4735   6.0980   0.3982 0.2867000 0.6187000 
1 1 1  -39    9    9 o   6.4220   0.3225   5.9910   0.5248   6.8540   0.3751 -0.8630000 0.6451000 
1 1 1  -39    9   10 o   12.900   0.1894   12.650   0.2985   13.150   0.2332 -0.5033000 0.3788000 
1 1 1  -39    9   11 f   13.320   0.2226   12.810   0.3650   13.820   0.2548 -1.002000 0.4452000 
1 1 1  -39    9   12 o   17.490   0.2410   17.500   0.4294   17.480   0.2190 0.2374000E-01 0.4820000 
1 1 1  -39    9   13 o   16.950   0.2790   17.310   0.4412   16.590   0.3416 0.7207000 0.5580000 
1 1 1  -39    9   14 o   18.260   0.2178   18.350   0.2715   18.170   0.3406 0.1761000 0.4356000 
1 1 1  -39    9   15 o   16.330   0.1954   16.630   0.2820   16.020   0.2705 0.6096000 0.3908000 
1 1 1  -39    9   16 o   29.060   0.2110   28.970   0.3009   29.140   0.2958 -0.1646000 0.4220000 
1 1 1  -39    9   17 o   6.1090   0.4340   6.1570   0.6768   6.0620   0.5435 0.9490000E-01 0.8680000 
1 1 1  -39    9   18 f   11.050   0.2683   10.780   0.3390   11.320   0.4160 -0.5407000 0.5367000 
1 1 1  -39    9   19 o   10.730   0.2342   10.730   0.3087   10.730   0.3522 0.7541000E-02 0.4684000 
1 1 1  -39    9   20 o   4.0400   0.5474   3.4160   0.8378   4.6650   0.7048 -1.249000 1.095000 
1 1 1  -39    9   21 o   8.4870   0.2850   8.8770   0.3694   8.0970   0.4341 0.7802000 0.5700000 
1 1 1  -39    9   22 o   3.2460   0.6603   3.4930   0.9044   2.9990   0.9622 0.4939000 1.321000 
1 1 1  -39    9   23 o   15.590   0.2152   15.770   0.3082   15.400   0.3005 0.3747000 0.4304000 
1 1 1  -39    9   24 o   11.820   0.2720   11.960   0.3774   11.680   0.3917 0.2777000 0.5440000 
1 1 1  -39    9   25 o   11.090   0.2526   11.090   0.3369   11.090   0.3764 -0.1997000E-02 0.5051000 
1 1 1  -39    9   26 o   11.120   0.2569   11.260   0.3405   10.980   0.3849 0.2780000 0.5139000 
1 1 1  -39    9   27 o   5.8530   0.5827   6.6790   0.6202   5.0270   0.9867 1.652000 1.165000 
1 1 1  -39    9   28 o   4.0760   0.6747   4.3730   0.9365   3.7780   0.9714 0.5947000 1.349000 
1 1 1  -39    9   29 o   5.7970   0.4794   6.2880   0.5898   5.3060   0.7560 0.9813000 0.9588000 
1 1 1  -39    9   30 o   6.7920   0.4110   6.2970   0.5901   7.2880   0.5721 -0.9908000 0.8219000 
1 1 1  -39   11    1 o   13.520   0.1979   13.500   0.2921   13.540   0.2671 -0.3989000E-01 0.3959000 
1 1 1  -39   11    2 o   8.7420   0.2614   8.7620   0.3826   8.7210   0.3562 0.4083000E-01 0.5228000 
1 1 1  -39   11    3 o   25.560   0.2256   25.580   0.3481   25.550   0.2871 0.2844000E-01 0.4512000 
1 1 1  -39   11    4 o   2.0730   0.6422   2.2620   0.9719   1.8840   0.8397 0.3778000 1.284000 
1 1 1  -39   11    5 f   16.260   0.1967   16.550   0.2772   15.960   0.2791 0.5874000 0.3934000 
1 1 1  -39   11    6 o   7.4200   0.2694   7.4110   0.3874   7.4290   0.3745 -0.1787000E-01 0.5388000 
1 1 1  -39   11    7 o   6.0110   0.3804   5.1920   0.6451   6.8300   0.4033 -1.638000 0.7608000 
1 1 1  -39   11    8 o   10.740   0.2321   10.670   0.3453   10.820   0.3101 -0.1496000 0.4641000 
1 1 1  -39   11    9 o   14.220   0.2047   14.130   0.2960   14.310   0.2829 -0.1751000 0.4094000 
1 1 1  -39   11   10 o   18.380   0.1957   18.130   0.2828   18.630   0.2707 -0.5004000 0.3914000 
1 1 1  -39   11   11 o   9.1550   0.2778   8.8910   0.4150   9.4190   0.3694 -0.5280000 0.5556000 
1 1 1  -39   11   12 o   6.3690   0.3874   5.5360   0.6642   7.2010   0.3990 -1.665000 0.7748000 
1 1 1  -39   11   13 o   20.040   0.2567   19.930   0.4585   20.160   0.2309 -0.2307000 0.5133000 
1 1 1  -39   11   14 o   12.610   0.3135   12.380   0.5514   12.850   0.2985 -0.4674000 0.6271000 
1 1 1  -39   11   15 o   22.950   0.2454   23.070   0.3472   22.820   0.3468 0.2479000 0.4907000 
1 1 1  -39   11   16 o   16.080   0.2091   15.800   0.3032   16.360   0.2882 -0.5623000 0.4183000 
1 1 1  -39   11   17 o   13.580   0.2246   13.330   0.3295   13.830   0.3053 -0.5036000 0.4492000 
1 1 1  -39   11   18 o   8.6190   0.3035   8.8760   0.4347   8.3630   0.4238 0.5126000 0.6071000 
1 1 1  -39   11   19 o   6.7500   0.3873   7.0780   0.5314   6.4230   0.5636 0.6545000 0.7746000 
1 1 1  -39   11   20 o   10.430   0.2734   10.330   0.4001   10.530   0.3728 -0.1995000 0.5468000 
1 1 1  -39   11   21 o   5.5370   0.4754   5.5960   0.6648   5.4780   0.6797 0.1180000 0.9508000 
1 1 1  -39   11   22 o   3.5770   0.7415   3.0000   1.1160   4.1530   0.9763 -1.153000 1.483000 
1 1 1  -39   11   23 o   5.8490   0.4267   5.7980   0.5794   5.8990   0.6267 -0.1006000 0.8535000 
1 1 1  -39   11   24 o   16.650   0.2113   16.780   0.2790   16.510   0.3173 0.2685000 0.4226000 
1 1 1  -39   11   25 o   8.8520   0.3093   8.5370   0.4284   9.1680   0.4463 -0.6305000 0.6187000 
1 1 1  -39   11   26 o   8.8990   0.3177   8.6920   0.4373   9.1050   0.4609 -0.4129000 0.6354000 
1 1 1  -39   11   27 o   5.4410   0.6223   5.6140   0.7714   5.2690   0.9767 0.3448000 1.245000 
1 1 1  -39   11   28 o   9.6910   0.3024   9.2720   0.4355   10.110   0.4198 -0.8366000 0.6049000 
1 1 1  -39   11   29 o   2.6360   0.7119   2.5120   1.0030   2.7600   1.0110 -0.2480000 1.424000 
1 1 1  -39   13    1 o   11.880   0.2286   11.510   0.3468   12.250   0.2978 -0.7404000 0.4571000 
1 1 1  -39   13    2 o   8.8720   0.3060   8.8380   0.4580   8.9070   0.4060 -0.6906000E-01 0.6121000 
1 1 1  -39   13    3 o   20.420   0.2080   20.420   0.3136   20.430   0.2732 -0.1158000E-01 0.4159000 
1 1 1  -39   13    4 o   14.980   0.1998   14.960   0.2821   15.000   0.2830 -0.4120000E-01 0.3996000 
1 1 1  -39   13    5 o   11.760   0.2278   11.720   0.3267   11.800   0.3174 -0.7397000E-01 0.4555000 
1 1 1  -39   13    6 o   2.1340   0.6213   1.8240   0.8213   2.4430   0.9324 -0.6196000 1.243000 
1 1 1  -39   13    7 o   2.8840   0.6556   2.2060   0.9610   3.5630   0.8921 -1.357000 1.311000 
1 1 1  -39   13    8 o   10.260   0.2800   10.770   0.4271   9.7430   0.3621 1.028000 0.5599000 
1 1 1  -39   13    9 f   9.3460   0.3017   9.1460   0.4770   9.5460   0.3697 -0.4003000 0.6035000 
1 1 1  -39   13   10 o   11.780   0.2609   12.060   0.4018   11.500   0.3329 0.5535000 0.5218000 
1 1 1  -39   13   11 o   14.060   0.2242   14.220   0.3344   13.900   0.2988 0.3157000 0.4484000 
1 1 1  -39   13   12 o   5.7270   0.4194   6.2020   0.6012   5.2520   0.5850 0.9500000 0.8389000 
1 1 1  -39   13   13 o   14.210   0.2104   13.930   0.3243   14.490   0.2681 -0.5543000 0.4207000 
1 1 1  -39   13   14 o   5.2630   0.6452   5.4350   1.1450   5.0910   0.5955 0.3439000 1.290000 
1 1 1  -39   13   15 o   8.4080   0.4324   8.3470   0.7812   8.4680   0.3707 -0.1216000 0.8647000 
1 1 1  -39   13   16 o   4.1050   0.6411   4.1380   0.9172   4.0720   0.8960 0.6535000E-01 1.282000 
1 1 1  -39   13   17 o   9.3590   0.2980   9.5220   0.4302   9.1960   0.4125 0.3256000 0.5960000 
1 1 1  -39   13   18 o   11.650   0.2581   11.710   0.3674   11.590   0.3626 0.1233000 0.5162000 
1 1 1  -39   13   19 o   11.490   0.3182   11.250   0.4899   11.730   0.4061 -0.4801000 0.6364000 
1 1 1  -39   13   20 o   5.4920   0.7699   4.0910   1.4090   6.8930   0.6207 -2.802000 1.540000 
1 1 1  -39   13   21 f   6.1250   0.5334   5.2710   0.9111   6.9790   0.5550 -1.709000 1.067000 
1 1 1  -39   13   22 o   5.9870   0.4699   5.8450   0.6873   6.1300   0.6410 -0.2851000 0.9398000 
1 1 1  -39   13   23 o   12.830   0.2606   13.160   0.3685   12.510   0.3686 0.6452000 0.5212000 
1 1 1  -39   13   24 o   8.9150   0.3419   8.8350   0.4942   8.9940   0.4727 -0.1583000 0.6838000 
1 1 1  -39   13   25 o   10.860   0.3016   11.350   0.4147   10.360   0.4380 0.9839000 0.6031000 
1 1 1  -39   13   26 o   2.3150   0.7080   1.9270   0.8905   2.7030   1.1010 -0.7761000 1.416000 
1 1 1  -39   13   27 o   10.280   0.2958   10.560   0.3864   9.9900   0.4480 0.5710000 0.5916000 
1 1 1  -39   13   28 o   10.940   0.2849   11.170   0.3768   10.710   0.4273 0.4602000 0.5697000 
1 1 1  -39   15    1 o   13.840   0.2217   13.980   0.3301   13.700   0.2959 0.2835000 0.4433000 
1 1 1  -39   15    2 o   8.4660   0.3033   8.8470   0.4336   8.0860   0.4242 0.7606000 0.6066000 
1 1 1  -39   15    3 o   8.6830   0.2991   8.8570   0.4396   8.5090   0.4057 0.3475000 0.5982000 
1 1 1  -39   15    4 o   15.550   0.1929   15.340   0.2710   15.770   0.2746 -0.4244000 0.3858000 
1 1 1  -39   15    5 o   6.5540   0.3573   6.9890   0.4827   6.1190   0.5268 0.8699000 0.7146000 
1 1 1  -39   15    6 o   18.990   0.1797   18.860   0.2555   19.110   0.2527 -0.2466000 0.3594000 
1 1 1  -39   15    7 o   7.0260   0.3599   7.5010   0.5282   6.5510   0.4889 0.9505000 0.7197000 
1 1 1  -39   15    8 o   5.0340   0.5458   5.4730   0.8419   4.5960   0.6947 0.8769000 1.092000 
1 1 1  -39   15    9 o   9.5610   0.2767   9.5900   0.4253   9.5330   0.3540 0.5714000E-01 0.5534000 
1 1 1  -39   15   10 f   16.750   0.2035   16.550   0.3141   16.940   0.2588 -0.3870000 0.4070000 
1 1 1  -39   15   11 o   11.160   0.2517   11.040   0.3926   11.280   0.3149 -0.2470000 0.5033000 
1 1 1  -39   15   12 f   10.140   0.2678   10.150   0.4175   10.120   0.3353 0.3549000E-01 0.5355000 
1 1 1  -39   15   13 o   15.030   0.2136   15.040   0.3275   15.010   0.2744 0.3483000E-01 0.4273000 
1 1 1  -39   15   14 o   6.9810   0.3780   6.6360   0.5965   7.3260   0.4646 -0.6902000 0.7561000 
1 1 1  -39   15   15 o   20.560   0.2921   20.490   0.5082   20.620   0.2881 -0.1290000 0.5842000 
1 1 1  -39   15   16 o   8.8210   0.4525   8.6060   0.8005   9.0370   0.4224 -0.4308000 0.9051000 
1 1 1  -39   15   17 o   15.320   0.3183   15.410   0.5609   15.220   0.3010 0.1869000 0.6366000 
1 1 1  -39   15   18 o   13.510   0.2830   13.960   0.4406   13.060   0.3552 0.8924000 0.5660000 
1 1 1  -39   15   19 o   4.3920   0.6931   3.4560   1.1620   5.3280   0.7554 -1.872000 1.386000 
1 1 1  -39   15   20 o   3.9620   0.6576   2.9180   1.0550   5.0070   0.7859 -2.089000 1.315000 
1 1 1  -39   15   21 o   2.2820   0.6786   2.0660   0.9262   2.4980   0.9922 -0.4318000 1.357000 
1 1 1  -39   15   22 o   8.2100   0.3699   7.9500   0.5520   8.4700   0.4925 -0.5200000 0.7398000 
1 1 1  -39   15   23 o   8.5530   0.3694   8.5040   0.5200   8.6020   0.5248 -0.9857000E-01 0.7388000 
1 1 1  -39   15   24 o   7.8070   0.4587   8.3430   0.5308   7.2710   0.7484 1.072000 0.9175000 
1 1 1  -39   15   25 o   9.6440   0.3396   9.9520   0.4553   9.3360   0.5040 0.6165000 0.6792000 
1 1 1  -39   15   26 o   7.3770   0.4277   7.3380   0.6109   7.4160   0.5986 -0.7775000E-01 0.8553000 
1 1 1  -39   17    1 o   5.1760   0.5576   4.4890   0.9028   5.8630   0.6548 -1.374000 1.115000 
1 1 1  -39   17    2 o   14.400   0.2339   14.020   0.3370   14.780   0.3244 -0.7540000 0.4677000 
1 1 1  -39   17    3 o   2.0530   0.6527   2.0750   0.9100   2.0300   0.9358 0.4494000E-01 1.305000 
1 1 1  -39   17    4 f   9.6860   0.2974   10.150   0.4102   9.2210   0.4308 0.9287000 0.5949000 
1 1 1  -39   17    5 o   3.3920   0.6996   3.0840   1.0180   3.7000   0.9601 -0.6158000 1.399000 
1 1 1  -39   17    6 o   4.5330   0.5926   3.0700   1.0140   5.9960   0.6135 -2.926000 1.185000 
1 1 1  -39   17    7 o   11.950   0.2481   11.820   0.3536   12.090   0.3481 -0.2613000 0.4962000 
1 1 1  -39   17    8 o   1.9000   0.6206   1.8500   0.8837   1.9510   0.8716 -0.1013000 1.241000 
1 1 1  -39   17    9 o   8.3620   0.3788   8.3220   0.6046   8.4020   0.4564 -0.8041000E-01 0.7575000 
1 1 1  -39   17   10 o   14.520   0.2615   14.260   0.4192   14.780   0.3127 -0.5213000 0.5230000 
1 1 1  -39   17   11 o   5.8870   0.5327   6.5090   0.8150   5.2660   0.6861 1.243000 1.065000 
1 1 1  -39   17   12 o   5.3800   0.5038   5.7760   0.7483   4.9850   0.6749 0.7914000 1.008000 
1 1 1  -39   17   13 o   7.2590   0.3862   6.5770   0.6414   7.9400   0.4305 -1.363000 0.7724000 
1 1 1  -39   17   14 o   14.370   0.2544   14.130   0.3648   14.620   0.3547 -0.4944000 0.5088000 
1 1 1  -39   17   15 o   5.7770   0.6037   5.6190   0.9531   5.9350   0.7411 -0.3158000 1.207000 
1 1 1  -39   17   16 o   9.7500   0.4662  ?   ?    9.7500   0.4662      ?      ? 
1 1 1  -39   17   17 o   3.4160   0.7815   4.9900   1.3220   1.8410   0.8340 3.149000 1.563000 
1 1 1  -39   17   18 o   4.1360   0.6963   3.5670   1.1680   4.7050   0.7579 -1.137000 1.393000 
1 1 1  -39   17   19 o   9.2310   0.3177   8.9390   0.5013   9.5240   0.3906 -0.5852000 0.6355000 
1 1 1  -39   17   20 o   4.1730   0.6815   5.0640   0.8515   3.2820   1.0640 1.782000 1.363000 
1 1 1  -39   17   21 o   9.9950   0.3207   9.9130   0.4605   10.080   0.4464 -0.1645000 0.6414000 
1 1 1  -39   17   22 o   2.4760   0.7072   3.0510   1.0850   1.9010   0.9068 1.150000 1.414000 
1 1 1  -39   17   23 o   8.5460   0.4145   8.6190   0.5275   8.4730   0.6395 0.1458000 0.8290000 
1 1 1  -39   17   24 o   3.3680   0.7634   3.1040   1.0990   3.6330   1.0600 -0.5293000 1.527000 
1 1 1  -39   17   25 o   2.1750   0.7158   2.1170   0.9903   2.2330   1.0340 -0.1164000 1.432000 
1 1 1  -39   19    1 o   4.4490   0.6435   4.3610   0.9770   4.5370   0.8376 -0.1764000 1.287000 
1 1 1  -39   19    2 o   9.2800   0.3199   9.2860   0.4763   9.2750   0.4271 0.1111000E-01 0.6398000 
1 1 1  -39   19    3 o   3.9000   0.7271   3.3080   1.1880   4.4910   0.8389 -1.183000 1.454000 
1 1 1  -39   19    4 o   7.9460   0.3995   7.6450   0.5709   8.2460   0.5591 -0.6010000 0.7991000 
1 1 1  -39   19    5 o   2.7770   0.7479   2.7350   1.0410   2.8200   1.0740 -0.8456000E-01 1.496000 
1 1 1  -39   19    6 o   9.9840   0.3205   10.360   0.4254   9.6080   0.4794 0.7521000 0.6409000 
1 1 1  -39   19    7 o   9.9470   0.3164   9.7610   0.4446   10.130   0.4501 -0.3704000 0.6327000 
1 1 1  -39   19    8 o   12.390   0.3229   12.520   0.5039   12.270   0.4040 0.2570000 0.6459000 
1 1 1  -39   19    9 o   8.5940   0.4180   8.4780   0.6551   8.7100   0.5196 -0.2321000 0.8361000 
1 1 1  -39   19   10 o   3.5980   0.7860   3.0920   1.1960   4.1050   1.0200 -1.013000 1.572000 
1 1 1  -39   19   11 o   11.120   0.3368   11.190   0.5693   11.060   0.3601 0.1262000 0.6737000 
1 1 1  -39   19   12 o   8.4400   0.3529   8.0810   0.5652   8.8000   0.4227 -0.7187000 0.7058000 
1 1 1  -39   19   13 o   7.1500   0.3986   7.2870   0.6119   7.0130   0.5110 0.2737000 0.7972000 
1 1 1  -39   19   14 o   2.8510   0.6662   2.1070   0.9431   3.5960   0.9413 -1.489000 1.332000 
1 1 1  -39   19   15 o   14.060   0.2449   13.950   0.3762   14.160   0.3136 -0.2161000 0.4898000 
1 1 1  -39   19   16 o   6.0710   0.4746   6.1800   0.7030   5.9620   0.6378 0.2186000 0.9492000 
1 1 1  -39   19   17 o   4.1890   0.8484   4.3090   1.4200   4.0690   0.9293 0.2403000 1.697000 
1 1 1  -39   19   18 o   6.7080   0.7321   5.7310   1.3800   7.6860   0.4886 -1.955000 1.464000 
1 1 1  -39   19   19 o   2.7170   0.7035   2.2160   0.9768   3.2180   1.0130 -1.002000 1.407000 
1 1 1  -39   19   20 o   8.5750   0.3799   8.9800   0.5233   8.1700   0.5508 0.8106000 0.7597000 
1 1 1  -39   19   21 o   4.6180   0.6363   4.7960   0.9432   4.4410   0.8544 0.3550000 1.273000 
1 1 1  -39   19   22 o   2.6070   0.7724   1.9550   0.9302   3.2590   1.2330 -1.304000 1.545000 
1 1 1  -39   19   23 f   4.6100   0.8401   5.0040   1.1260   4.2160   1.2470 0.7877000 1.680000 
1 1 1  -39   21    1 o   4.4050   0.6590   4.7000   0.9178   4.1090   0.9459 0.5919000 1.318000 
1 1 1  -39   21    2 o   7.0610   0.4152   6.9490   0.6232   7.1730   0.5490 -0.2238000 0.8305000 
1 1 1  -39   21    3 f   2.5380   0.6969   2.2040   0.9401   2.8710   1.0290 -0.6668000 1.394000 
1 1 1  -39   21    4 o   5.5250   0.4985   5.7120   0.6855   5.3380   0.7239 0.3740000 0.9970000 
1 1 1  -39   21    5 o   5.1900   0.5169   5.4230   0.6915   4.9580   0.7686 0.4646000 1.034000 
1 1 1  -39   21    6 o   8.4840   0.3223   8.7140   0.4444   8.2540   0.4670 0.4607000 0.6447000 
1 1 1  -39   21    7 o   3.7210   0.6673   4.1180   0.8951   3.3250   0.9898 0.7930000 1.335000 
1 1 1  -39   21    8 o   4.5800   0.6323   3.1170   1.1040   6.0430   0.6168 -2.926000 1.265000 
1 1 1  -39   21    9 o   6.9990   0.4248   6.7050   0.6711   7.2930   0.5210 -0.5874000 0.8496000 
1 1 1  -39   21   10 o   13.490   0.2547   13.410   0.3879   13.580   0.3303 -0.1684000 0.5095000 
1 1 1  -39   21   11 o   7.4690   0.3885   7.9850   0.5680   6.9540   0.5303 1.030000 0.7771000 
1 1 1  -39   21   12 o   3.2810   0.7431   3.5840   1.1000   2.9780   0.9998 0.6061000 1.486000 
1 1 1  -39   21   13 o   4.0690   0.6928   4.6600   0.9602   3.4780   0.9990 1.182000 1.386000 
1 1 1  -39   21   14 o   4.3470   0.6617   3.8990   1.0620   4.7950   0.7892 -0.8954000 1.323000 
1 1 1  -39   21   15 o   9.7520   0.3251   9.6970   0.5038   9.8080   0.4112 -0.1113000 0.6503000 
1 1 1  -39   21   16 o   5.3160   0.5888   5.1590   0.8759   5.4730   0.7871 -0.3143000 1.178000 
1 1 1  -39   21   17 o   2.7850   0.7536   2.5360   1.0470   3.0350   1.0840 -0.4985000 1.507000 
1 1 1  -39   21   18 o   2.9390   0.8102   2.7200   1.2350   3.1570   1.0480 -0.4361000 1.620000 
1 1 1  -39   21   19 o   8.4220   0.5776   8.0270   1.0120   8.8170   0.5566 -0.7897000 1.155000 
1 1 1  -39   21   20 o   3.6480   0.8315   3.5490   1.2290   3.7470   1.1200 -0.1984000 1.663000 
1 1 1  -39   23    1 o   3.2380   0.7453   2.7030   1.0830   3.7740   1.0240 -1.072000 1.491000 
1 1 1  -39   23    2 o   2.2810   0.6980   2.2460   0.9969   2.3160   0.9774 -0.7065000E-01 1.396000 
1 1 1  -39   23    3 o   8.8540   0.4066   9.0410   0.5727   8.6660   0.5773 0.3753000 0.8132000 
1 1 1  -39   23    4 o   5.5710   0.6495   5.0940   1.0320   6.0480   0.7894 -0.9542000 1.299000 
1 1 1  -39   23    5 o   6.1520   0.5570   5.8790   0.8408   6.4250   0.7310 -0.5461000 1.114000 
1 1 1  -39   23    6 o   3.7540   0.7489   2.9570   1.1200   4.5500   0.9944 -1.593000 1.498000 
1 1 1  -39   23    7 o   4.0330   0.7388   3.3810   1.1220   4.6850   0.9615 -1.304000 1.478000 
1 1 1  -39   23    8 f   1.8140   0.6084   1.5900   0.7814   2.0390   0.9327 -0.4492000 1.217000 
1 1 1  -39   23    9 o   2.6780   0.7583   2.6140   1.0750   2.7420   1.0700 -0.1276000 1.517000 
1 1 1  -39   23   10 o   6.4680   0.5082   6.4500   0.7383   6.4850   0.6986 -0.3472000E-01 1.016000 
1 1 1  -39   23   11 o   3.1980   0.7598   2.5690   1.0650   3.8280   1.0840 -1.260000 1.520000 
1 1 1  -39   23   12 o   2.6980   0.7604   2.9460   1.1520   2.4500   0.9925 0.4963000 1.521000 
1 1 1  -39   23   13 o   3.4040   0.8134   4.1020   1.2190   2.7060   1.0770 1.396000 1.627000 
1 1 1  -39   23   14 o   4.8320   0.7238   3.6880   1.2240   5.9760   0.7734 -2.288000 1.448000 
1 1 1  -39   23   15 o   4.4130   0.7863   4.9340   1.1290   3.8920   1.0950 1.042000 1.573000 
1 1 1  -39   23   16 o   6.5160   0.4996   5.9010   0.8239   7.1310   0.5653 -1.230000 0.9992000 
1 1 1  -39   23   17 o   2.6570   0.7070   2.1360   0.9629   3.1770   1.0350 -1.042000 1.414000 
1 1 1  -39   25    1 o   3.8000   0.7734   3.6660   1.1500   3.9350   1.0340 -0.2690000 1.547000 
1 1 1  -39   25    2 o   4.3380   0.7426   4.2610   1.1260   4.4150   0.9690 -0.1537000 1.485000 
1 1 1  -39   25    3 o   2.1000   0.6683   2.0930   0.9445   2.1060   0.9457 -0.1304000E-01 1.337000 
1 1 1  -39   25    4 o   4.9680   0.6335   5.1850   0.8879   4.7510   0.9039 0.4335000 1.267000 
1 1 1  -39   25    5 o   1.8460   0.6095   1.7490   0.8338   1.9430   0.8891 -0.1947000 1.219000 
1 1 1  -39   25    6 o   2.2190   0.6797   2.0670   0.9321   2.3720   0.9895 -0.3048000 1.359000 
1 1 1  -39   25    7 o   2.4210   0.6992   2.1810   0.9568   2.6600   1.0200 -0.4788000 1.398000 
1 1 1  -39   25    8 o   8.4080   0.3884   8.5880   0.5884   8.2290   0.5073 0.3590000 0.7769000 
1 1 1  -39   25    9 o   3.8050   0.7293   4.7810   1.0230   2.8280   1.0390 1.953000 1.459000 
1 1 1  -39   25   10 o   5.6130   0.5799   5.1350   0.9432   6.0910   0.6749 -0.9568000 1.160000 
1 1 1  -39   25   11 o   4.6580   0.6848   4.3540   1.0910   4.9630   0.8275 -0.6085000 1.370000 
1 1 1  -39   25   12 o   2.0430   0.6375   1.5810   0.7824   2.5050   1.0070 -0.9244000 1.275000 
1 1 1  -39   25   13 o   2.4060   0.7713   2.6490   1.1620   2.1640   1.0140 0.4852000 1.543000 
1 1 1  -38    0    1 o   51.990   0.5310   51.990   0.5310   51.990   0.5310 -0.000000 0.000000 
1 1 1  -38    0    2 o   55.690   0.5639   55.690   0.5639   55.690   0.5639 -0.000000 0.000000 
1 1 1  -38    0    3 o   13.730   0.3066   13.730   0.3066   13.730   0.3066 -0.000000 0.000000 
1 1 1  -38    0    4 o   8.4080   0.2119   8.4080   0.2119   8.4080   0.2119 -0.000000 0.000000 
1 1 1  -38    0    5 o   1.9220   0.7536   1.9220   0.7536   1.9220   0.7536 -0.000000 0.000000 
1 1 1  -38    0    6 o   3.2920   0.8300   3.2920   0.8300   3.2920   0.8300 -0.000000 0.000000 
1 1 1  -38    0    7 f   28.320   0.4246   28.320   0.4246   28.320   0.4246 -0.000000 0.000000 
1 1 1  -38    0    8 o   17.470   0.2163   17.470   0.2163   17.470   0.2163 -0.000000 0.000000 
1 1 1  -38    0    9 o   91.000   0.6438   91.000   0.6438   91.000   0.6438 -0.000000 0.000000 
1 1 1  -38    0   10 o   68.560   0.6893   68.560   0.6893   68.560   0.6893 -0.000000 0.000000 
1 1 1  -38    0   11 o   22.200   0.2696   22.200   0.2696   22.200   0.2696 -0.000000 0.000000 
1 1 1  -38    0   12 o   6.5030   0.2859   6.5030   0.2859   6.5030   0.2859 -0.000000 0.000000 
1 1 1  -38    0   13 o   2.7830   0.7882   2.7830   0.7882   2.7830   0.7882 -0.000000 0.000000 
1 1 1  -38    0   14 o   3.0730   0.7564   3.0730   0.7564   3.0730   0.7564 -0.000000 0.000000 
1 1 1  -38    0   15 o   4.6400   0.7403   4.6400   0.7403   4.6400   0.7403 -0.000000 0.000000 
1 1 1  -38    0   16 o   27.800   0.2310   27.800   0.2310   27.800   0.2310 -0.000000 0.000000 
1 1 1  -38    0   17 o   14.920   0.2478   14.920   0.2478   14.920   0.2478 -0.000000 0.000000 
1 1 1  -38    0   18 f   58.150   0.4227   58.150   0.4227   58.150   0.4227 -0.000000 0.000000 
1 1 1  -38    0   19 o   19.650   0.2186   19.650   0.2186   19.650   0.2186 -0.000000 0.000000 
1 1 1  -38    0   20 o   11.260   0.2646   11.260   0.2646   11.260   0.2646 -0.000000 0.000000 
1 1 1  -38    0   21 o   14.110   0.2382   14.110   0.2382   14.110   0.2382 -0.000000 0.000000 
1 1 1  -38    0   22 o   6.2760   0.4399   6.2760   0.4399   6.2760   0.4399 -0.000000 0.000000 
1 1 1  -38    0   23 o   4.8580   0.9110   4.8580   0.9110   4.8580   0.9110 -0.000000 0.000000 
1 1 1  -38    0   24 o   1.5530   0.9579   1.5530   0.9579   1.5530   0.9579 -0.000000 0.000000 
1 1 1  -38    0   25 f   4.2200   0.7708   4.2200   0.7708   4.2200   0.7708 -0.000000 0.000000 
1 1 1  -38    0   26 o   10.920   0.3182   10.920   0.3182   10.920   0.3182 -0.000000 0.000000 
1 1 1  -38    0   27 o   4.0870   0.8757   4.0870   0.8757   4.0870   0.8757 -0.000000 0.000000 
1 1 1  -38    0   28 o   17.690   0.3778   17.690   0.3778   17.690   0.3778 -0.000000 0.000000 
1 1 1  -38    0   29 o   11.070   0.3547   11.070   0.3547   11.070   0.3547 -0.000000 0.000000 
1 1 1  -38    0   30 o   3.3500   1.1450   3.3500   1.1450   3.3500   1.1450 -0.000000 0.000000 
1 1 1  -38    0   31 o   1.7390   1.0960   1.7390   1.0960   1.7390   1.0960 -0.000000 0.000000 
1 1 1  -38    0   32 o   1.6150   1.0510   1.6150   1.0510   1.6150   1.0510 -0.000000 0.000000 
1 1 1  -38    2    1 o   50.310   0.3324   50.100   0.5140   50.520   0.4215 -0.4196000 0.6647000 
1 1 1  -38    2    2 o   19.600   0.1672   19.310   0.2551   19.900   0.2161 -0.5838000 0.3344000 
1 1 1  -38    2    3 o   65.890   0.4061   65.710   0.6623   66.060   0.4700 -0.3499000 0.8121000 
1 1 1  -38    2    4 o   24.940   0.2561   24.830   0.4182   25.050   0.2958 -0.2228000 0.5122000 
1 1 1  -38    2    5 o   44.940   0.4030   45.580   0.6643   44.300   0.4563 1.284000 0.8060000 
1 1 1  -38    2    6 o   41.350   0.4293   40.800   0.5989   41.900   0.6153 -1.104000 0.8587000 
1 1 1  -38    2    7 o   40.540   0.3667   40.040   0.4156   41.040   0.6043 -1.002000 0.7334000 
1 1 1  -38    2    8 o   24.420   0.2831  ?   ?    24.420   0.2831      ?      ? 
1 1 1  -38    2    9 o   4.0060   0.3763  ?   ?    4.0060   0.3763      ?      ? 
1 1 1  -38    2   10 o   19.680   0.1553   19.580   0.2337   19.790   0.2047 -0.2096000 0.3107000 
1 1 1  -38    2   11 o   10.660   0.1602   10.400   0.2335   10.930   0.2195 -0.5371000 0.3205000 
1 1 1  -38    2   12 o   24.150   0.1553   24.190   0.2033   24.120   0.2348 0.7509000E-01 0.3106000 
1 1 1  -38    2   13 o   11.590   0.1827   12.080   0.2368   11.100   0.2783 0.9790000 0.3654000 
1 1 1  -38    2   14 o   15.690   0.1741   15.660   0.2262   15.720   0.2647 -0.6230000E-01 0.3482000 
1 1 1  -38    2   15 f   13.030   0.1632   12.910   0.2169   13.150   0.2440 -0.2385000 0.3265000 
1 1 1  -38    2   16 o   11.370   0.2220   11.530   0.2718   11.210   0.3511 0.3198000 0.4441000 
1 1 1  -38    2   17 o   18.570   0.1595   18.570   0.2104   18.570   0.2398 -0.1526000E-04 0.3191000 
1 1 1  -38    2   18 o   10.580   0.2195   11.390   0.3073   9.7670   0.3136 1.623000 0.4390000 
1 1 1  -38    2   19 o   28.850   0.1893   28.990   0.2496   28.710   0.2847 0.2795000 0.3786000 
1 1 1  -38    2   20 o   18.810   0.1699   18.530   0.2246   19.090   0.2549 -0.5521000 0.3398000 
1 1 1  -38    2   21 o   16.300   0.1750   16.060   0.2326   16.540   0.2614 -0.4803000 0.3499000 
1 1 1  -38    2   22 o   11.480   0.2089   11.710   0.2726   11.260   0.3165 0.4459000 0.4177000 
1 1 1  -38    2   23 o   8.7680   0.3162   8.9530   0.4027   8.5830   0.4877 0.3697000 0.6324000 
1 1 1  -38    2   24 o   15.300   0.2091   15.320   0.3008   15.270   0.2906 0.5028000E-01 0.4182000 
1 1 1  -38    2   25 o   7.5490   0.3202   7.6990   0.4266   7.3990   0.4776 0.2997000 0.6404000 
1 1 1  -38    2   26 o   3.8550   0.6157   4.2720   0.7722   3.4390   0.9592 0.8325000 1.231000 
1 1 1  -38    2   27 o   10.550   0.3029   10.670   0.4086   10.430   0.4472 0.2362000 0.6058000 
1 1 1  -38    2   28 o   14.590   0.2655   14.630   0.3306   14.550   0.4155 0.8157000E-01 0.5310000 
1 1 1  -38    2   29 o   5.7520   0.4744   6.2250   0.5766   5.2780   0.7536 0.9474000 0.9489000 
1 1 1  -38    2   30 o   10.190   0.2881   10.280   0.3885   10.110   0.4255 0.1737000 0.5762000 
1 1 1  -38    2   31 o   6.6690   0.4242   6.7940   0.5552   6.5440   0.6416 0.2492000 0.8484000 
1 1 1  -38    2   32 o   2.7630   0.7300   2.9790   1.0360   2.5470   1.0290 0.4318000 1.460000 
1 1 1  -38    4    1 o   24.020   0.3023  ?   ?    24.020   0.3023      ?      ? 
1 1 1  -38    4    2 o   13.160   0.2272   13.790   0.2629   12.520   0.3706 1.270000 0.4544000 
1 1 1  -38    4    3 o   22.240   0.3094  ?   ?    22.240   0.3094      ?      ? 
1 1 1  -38    4    4 o   6.8460   0.4763   6.2670   0.8233   7.4250   0.4792 -1.158000 0.9526000 
1 1 1  -38    4    5 o   8.1100   0.3719   8.1960   0.5972   8.0250   0.4434 0.1708000 0.7438000 
1 1 1  -38    4    6 o   62.890   0.5562   62.980   0.9108   62.800   0.6388 0.1842000 1.112000 
1 1 1  -38    4    7 o   34.890   0.2689   34.990   0.3812   34.790   0.3794 0.2029000 0.5379000 
1 1 1  -38    4    8 o   36.150   0.2761   35.930   0.3885   36.370   0.3923 -0.4394000 0.5521000 
1 1 1  -38    4    9 o   31.950   0.2276   31.510   0.3536   32.390   0.2867 -0.8736000 0.4552000 
1 1 1  -38    4   10 o   23.960   0.1760   23.690   0.2630   24.240   0.2341 -0.5550000 0.3521000 
1 1 1  -38    4   11 o   21.150   0.2212   21.010   0.3546   21.300   0.2644 -0.2936000 0.4423000 
1 1 1  -38    4   12 o   11.150   0.1884   11.160   0.2592   11.140   0.2734 0.1422000E-01 0.3767000 
1 1 1  -38    4   13 o   32.600   0.1957   32.520   0.2551   32.690   0.2969 -0.1711000 0.3914000 
1 1 1  -38    4   14 o   23.810   0.1641   24.100   0.2160   23.520   0.2472 0.5814000 0.3282000 
1 1 1  -38    4   15 o   11.850   0.1764   11.920   0.2348   11.780   0.2632 0.1363000 0.3527000 
1 1 1  -38    4   16 o   18.400   0.1973   18.220   0.2482   18.580   0.3069 -0.3576000 0.3947000 
1 1 1  -38    4   17 o   15.650   0.1675   15.480   0.2207   15.820   0.2519 -0.3454000 0.3350000 
1 1 1  -38    4   18 o   8.6610   0.2365   8.7290   0.3168   8.5940   0.3513 0.1350000 0.4730000 
1 1 1  -38    4   19 o   12.960   0.1875   13.190   0.2500   12.730   0.2796 0.4539000 0.3751000 
1 1 1  -38    4   20 o   23.650   0.1776   23.750   0.2344   23.550   0.2668 0.1953000 0.3552000 
1 1 1  -38    4   21 o   14.230   0.1862   14.320   0.2447   14.140   0.2808 0.1838000 0.3724000 
1 1 1  -38    4   22 o   22.620   0.2165   22.340   0.2725   22.900   0.3364 -0.5656000 0.4329000 
1 1 1  -38    4   23 o   16.210   0.1869   16.140   0.2506   16.280   0.2774 -0.1463000 0.3738000 
1 1 1  -38    4   24 o   2.8460   0.6620   3.3990   0.9543   2.2920   0.9177 1.107000 1.324000 
1 1 1  -38    4   25 o   13.110   0.2141   13.390   0.2810   12.830   0.3230 0.5573000 0.4281000 
1 1 1  -38    4   26 o   7.4000   0.3323   7.1820   0.4580   7.6190   0.4816 -0.4372000 0.6646000 
1 1 1  -38    4   27 o   18.820   0.2348   18.370   0.3137   19.280   0.3494 -0.9028000 0.4696000 
1 1 1  -38    4   28 o   13.750   0.2751   13.560   0.3415   13.950   0.4315 -0.3913000 0.5503000 
1 1 1  -38    4   29 o   12.450   0.2486   12.860   0.3242   12.050   0.3769 0.8127000 0.4971000 
1 1 1  -38    4   30 o   2.7240   0.7057   3.0030   1.0090   2.4440   0.9863 0.5591000 1.411000 
1 1 1  -38    4   31 o   2.3380   0.6472   1.6640   0.7918   3.0130   1.0240 -1.349000 1.294000 
1 1 1  -38    6    1 o   16.440   0.2205   16.900   0.2542   15.980   0.3605 0.9265000 0.4411000 
1 1 1  -38    6    2 o   7.0830   0.3457   6.4320   0.3690   7.7330   0.5847 -1.300000 0.6914000 
1 1 1  -38    6    3 o   4.6720   0.4405   4.6480   0.6615   4.6970   0.5819 -0.4893000E-01 0.8810000 
1 1 1  -38    6    4 f   15.020   0.1856   14.710   0.2542   15.340   0.2704 -0.6224000 0.3711000 
1 1 1  -38    6    5 o   28.130   0.2042   28.060   0.3183   28.210   0.2559 -0.1535000 0.4084000 
1 1 1  -38    6    6 o   21.090   0.1693   20.930   0.2648   21.250   0.2110 -0.3186000 0.3386000 
1 1 1  -38    6    7 o   35.840   0.2462   35.800   0.3837   35.880   0.3085 -0.8052000E-01 0.4924000 
1 1 1  -38    6    8 o   16.330   0.1611   16.420   0.2581   16.240   0.1927 0.1818000 0.3221000 
1 1 1  -38    6    9 o   24.580   0.1624   24.220   0.2454   24.940   0.2129 -0.7258000 0.3248000 
1 1 1  -38    6   10 o   27.580   0.1867   27.580   0.2628   27.590   0.2652 -0.1746000E-01 0.3733000 
1 1 1  -38    6   11 o   5.7740   0.3102   5.3100   0.4605   6.2380   0.4158 -0.9277000 0.6204000 
1 1 1  -38    6   12 o   11.790   0.1977   11.590   0.2943   11.990   0.2641 -0.4011000 0.3955000 
1 1 1  -38    6   13 o   12.320   0.2001   12.600   0.3004   12.050   0.2643 0.5517000 0.4002000 
1 1 1  -38    6   14 o   21.220   0.1636   21.510   0.2153   20.930   0.2465 0.5747000 0.3273000 
1 1 1  -38    6   15 o   22.840   0.2127   22.610   0.2645   23.070   0.3332 -0.4620000 0.4255000 
1 1 1  -38    6   16 o   20.760   0.1690   20.550   0.2239   20.960   0.2533 -0.4099000 0.3381000 
1 1 1  -38    6   17 o   13.580   0.1812   13.560   0.2432   13.600   0.2686 -0.4299000E-01 0.3623000 
1 1 1  -38    6   18 o   33.110   0.2076   32.860   0.2713   33.370   0.3144 -0.5128000 0.4153000 
1 1 1  -38    6   19 o   12.340   0.2011   12.430   0.2708   12.250   0.2975 0.1796000 0.4023000 
1 1 1  -38    6   20 o   26.870   0.2257   26.940   0.2868   26.790   0.3487 0.1516000 0.4515000 
1 1 1  -38    6   21 o   12.550   0.2489   12.520   0.3151   12.570   0.3853 -0.5402000E-01 0.4978000 
1 1 1  -38    6   22 o   1.8640   0.5803   1.6890   0.7666   2.0380   0.8714 -0.3494000 1.161000 
1 1 1  -38    6   23 o   9.7820   0.2506   9.8720   0.3404   9.6920   0.3678 0.1800000 0.5011000 
1 1 1  -38    6   24 o   10.960   0.2545   11.440   0.3617   10.480   0.3581 0.9687000 0.5090000 
1 1 1  -38    6   25 o   12.170   0.2287   12.080   0.3111   12.270   0.3352 -0.1865000 0.4573000 
1 1 1  -38    6   26 f   11.440   0.2825   11.340   0.3946   11.530   0.4044 -0.1935000 0.5650000 
1 1 1  -38    6   27 f   18.550   0.2023   18.510   0.2667   18.590   0.3044 -0.7351000E-01 0.4047000 
1 1 1  -38    6   28 o   11.000   0.3182   10.720   0.4063   11.270   0.4898 -0.5552000 0.6364000 
1 1 1  -38    6   29 o   9.0400   0.3037   9.2090   0.4009   8.8700   0.4563 0.3389000 0.6074000 
1 1 1  -38    6   30 o   3.4810   0.6960   3.7340   0.9221   3.2280   1.0430 0.5061000 1.392000 
1 1 1  -38    6   31 o   3.6440   0.7004   3.9890   0.9235   3.2980   1.0530 0.6912000 1.401000 
1 1 1  -38    8    1 f   42.370   0.2457   42.400   0.3702   42.330   0.3232 0.7077000E-01 0.4915000 
1 1 1  -38    8    2 o   4.2200   0.4492   4.1930   0.6568   4.2460   0.6130 -0.5344000E-01 0.8984000 
1 1 1  -38    8    3 o   4.0890   0.4531   4.3380   0.6213   3.8390   0.6596 0.4989000 0.9062000 
1 1 1  -38    8    4 o   1.7750   0.5357   1.9490   0.7998   1.6020   0.7130 0.3469000 1.071000 
1 1 1  -38    8    5 o   26.780   0.1631   27.100   0.2320   26.460   0.2292 0.6340000 0.3262000 
1 1 1  -38    8    6 o   17.240   0.1587   17.130   0.2419   17.350   0.2055 -0.2242000 0.3174000 
1 1 1  -38    8    7 o   30.910   0.2164   30.480   0.3514   31.340   0.2527 -0.8600000 0.4329000 
1 1 1  -38    8    8 o   10.260   0.1959   10.030   0.3030   10.480   0.2485 -0.4505000 0.3918000 
1 1 1  -38    8    9 o   16.580   0.1652   16.490   0.2546   16.680   0.2106 -0.1955000 0.3304000 
1 1 1  -38    8   10 o   35.260   0.2126   35.290   0.3235   35.240   0.2760 0.5018000E-01 0.4253000 
1 1 1  -38    8   11 o   13.840   0.1766   13.660   0.2762   14.020   0.2201 -0.3561000 0.3532000 
1 1 1  -38    8   12 o   13.710   0.1972   13.690   0.2845   13.720   0.2733 -0.3392000E-01 0.3945000 
1 1 1  -38    8   13 o   27.830   0.2794   28.340   0.4847   27.330   0.2780 1.004000 0.5588000 
1 1 1  -38    8   14 f   15.350   0.2946   15.650   0.4679   15.060   0.3579 0.5935000 0.5891000 
1 1 1  -38    8   15 o   4.1040   0.5576   4.2780   0.7896   3.9300   0.7876 0.3479000 1.115000 
1 1 1  -38    8   16 o   24.520   0.1801   24.490   0.2365   24.550   0.2717 -0.6605000E-01 0.3602000 
1 1 1  -38    8   17 o   14.970   0.1860   15.190   0.2432   14.740   0.2816 0.4465000 0.3720000 
1 1 1  -38    8   18 o   24.610   0.1838   24.550   0.2417   24.660   0.2770 -0.1092000 0.3677000 
1 1 1  -38    8   19 o   17.500   0.2224   17.580   0.2806   17.420   0.3451 0.1663000 0.4447000 
1 1 1  -38    8   20 o   12.100   0.2147   12.490   0.2873   11.710   0.3192 0.7787000 0.4295000 
1 1 1  -38    8   21 o   15.620   0.1923   15.600   0.2586   15.640   0.2847 -0.4048000E-01 0.3846000 
1 1 1  -38    8   22 o   8.1600   0.2884   8.1880   0.3937   8.1330   0.4217 0.5463000E-01 0.5769000 
1 1 1  -38    8   23 o   10.520   0.2652   10.290   0.3939   10.750   0.3552 -0.4584000 0.5304000 
1 1 1  -38    8   24 o   18.410   0.2264   18.520   0.3008   18.310   0.3385 0.2106000 0.4528000 
1 1 1  -38    8   25 f   11.020   0.2491   10.690   0.3409   11.340   0.3634 -0.6502000 0.4982000 
1 1 1  -38    8   26 o   22.800   0.1999   22.830   0.2634   22.760   0.3006 0.7179000E-01 0.3997000 
1 1 1  -38    8   27 o   12.360   0.2810   12.510   0.3198   12.210   0.4620 0.2964000 0.5619000 
1 1 1  -38    8   28 o   1.8600   0.6190   1.8250   0.8511   1.8950   0.8992 -0.6964000E-01 1.238000 
1 1 1  -38    8   29 o   7.8680   0.3499   7.2770   0.5061   8.4590   0.4834 -1.182000 0.6999000 
1 1 1  -38    8   30 o   1.9370   0.6131   1.6350   0.7775   2.2390   0.9482 -0.6038000 1.226000 
1 1 1  -38   10    1 o   13.700   0.2421   13.700   0.3712   13.710   0.3109 -0.9830000E-02 0.4842000 
1 1 1  -38   10    2 o   10.780   0.2785   10.040   0.4437   11.510   0.3367 -1.470000 0.5569000 
1 1 1  -38   10    3 o   10.960   0.2090   10.820   0.3108   11.110   0.2796 -0.2951000 0.4181000 
1 1 1  -38   10    4 o   6.4440   0.3204   6.2530   0.4790   6.6350   0.4257 -0.3815000 0.6408000 
1 1 1  -38   10    5 o   4.1100   0.4618   4.2760   0.6215   3.9450   0.6831 0.3311000 0.9235000 
1 1 1  -38   10    6 o   14.230   0.2090   14.780   0.3426   13.690   0.2394 1.096000 0.4180000 
1 1 1  -38   10    7 o   31.810   0.2026   31.650   0.3068   31.960   0.2646 -0.3106000 0.4051000 
1 1 1  -38   10    8 f   14.370   0.1840   14.460   0.2832   14.270   0.2349 0.1859000 0.3679000 
1 1 1  -38   10    9 o   6.1590   0.3540   5.8790   0.5738   6.4380   0.4147 -0.5584000 0.7080000 
1 1 1  -38   10   10 o   20.080   0.1778   19.770   0.2739   20.390   0.2268 -0.6249000 0.3556000 
1 1 1  -38   10   11 o   14.520   0.1863   14.860   0.2849   14.190   0.2400 0.6637000 0.3725000 
1 1 1  -38   10   12 o   7.7010   0.3116   7.8450   0.4507   7.5570   0.4304 0.2881000 0.6232000 
1 1 1  -38   10   13 o   9.0900   0.2602   8.7940   0.4166   9.3850   0.3117 -0.5909000 0.5203000 
1 1 1  -38   10   14 o   14.700   0.2836   14.980   0.4886   14.420   0.2880 0.5620000 0.5671000 
1 1 1  -38   10   15 o   5.1750   0.7061   3.9000   1.3100   6.4500   0.5277 -2.549000 1.412000 
1 1 1  -38   10   16 f   20.820   0.2419   21.020   0.3472   20.610   0.3371 0.4022000 0.4839000 
1 1 1  -38   10   17 o   13.250   0.2755   12.780   0.3963   13.730   0.3828 -0.9592000 0.5510000 
1 1 1  -38   10   18 o   2.7140   0.6887   2.3820   0.9590   3.0460   0.9886 -0.6633000 1.377000 
1 1 1  -38   10   19 o   10.040   0.2716   10.150   0.3908   9.9220   0.3774 0.2276000 0.5433000 
1 1 1  -38   10   20 f   11.650   0.2480   11.710   0.3529   11.600   0.3485 0.1092000 0.4960000 
1 1 1  -38   10   21 o   16.750   0.1937   17.020   0.2557   16.480   0.2909 0.5405000 0.3873000 
1 1 1  -38   10   22 f   8.5010   0.3113   8.4870   0.4464   8.5150   0.4340 -0.2831000E-01 0.6226000 
1 1 1  -38   10   23 o   2.4140   0.7095   2.3870   0.9940   2.4420   1.0130 -0.5519000E-01 1.419000 
1 1 1  -38   10   24 o   6.7030   0.3848   6.6420   0.5274   6.7630   0.5604 -0.1215000 0.7696000 
1 1 1  -38   10   25 f   7.1570   0.3641   7.4640   0.4704   6.8500   0.5558 0.6140000 0.7282000 
1 1 1  -38   10   26 o   5.0660   0.5205   5.1970   0.6971   4.9340   0.7731 0.2632000 1.041000 
1 1 1  -38   10   27 o   12.920   0.3002   13.120   0.3785   12.710   0.4661 0.4087000 0.6004000 
1 1 1  -38   10   28 o   7.3560   0.3716   7.4550   0.5039   7.2570   0.5464 0.1983000 0.7432000 
1 1 1  -38   10   29 o   3.5280   0.7021   3.7490   0.9579   3.3060   1.0270 0.4433000 1.404000 
1 1 1  -38   10   30 o   2.8030   0.7383   2.7460   1.0210   2.8590   1.0670 -0.1130000 1.477000 
1 1 1  -38   12    1 o   5.6480   0.4185   5.4590   0.6352   5.8370   0.5452 -0.3779000 0.8371000 
1 1 1  -38   12    2 o   5.8210   0.4028   5.3130   0.6419   6.3290   0.4869 -1.016000 0.8057000 
1 1 1  -38   12    3 o   17.060   0.1839   16.810   0.2748   17.300   0.2443 -0.4895000 0.3677000 
1 1 1  -38   12    4 o   18.650   0.1677   18.410   0.2374   18.890   0.2369 -0.4836000 0.3353000 
1 1 1  -38   12    5 o   14.070   0.2078   13.610   0.2642   14.520   0.3207 -0.9075000 0.4156000 
1 1 1  -38   12    6 o   9.6740   0.2737   9.3060   0.4083   10.040   0.3647 -0.7358000 0.5475000 
1 1 1  -38   12    7 o   3.1730   0.6759   3.1380   0.9680   3.2070   0.9436 -0.6867000E-01 1.352000 
1 1 1  -38   12    8 f   14.700   0.1953   15.020   0.2992   14.370   0.2510 0.6542000 0.3905000 
1 1 1  -38   12    9 o   5.2130   0.4393   5.4850   0.6533   4.9410   0.5876 0.5449000 0.8786000 
1 1 1  -38   12   10 o   8.4430   0.2864   8.8490   0.4375   8.0360   0.3697 0.8125000 0.5727000 
1 1 1  -38   12   11 o   25.860   0.2250   25.970   0.3516   25.760   0.2809 0.2107000 0.4501000 
1 1 1  -38   12   12 o   5.9680   0.4774   5.5470   0.7716   6.3880   0.5625 -0.8415000 0.9549000 
1 1 1  -38   12   13 o   15.600   0.2299   15.670   0.3587   15.530   0.2876 0.1367000 0.4598000 
1 1 1  -38   12   14 o   11.830   0.2274   11.870   0.3528   11.790   0.2870 0.7603000E-01 0.4548000 
1 1 1  -38   12   15 o   13.900   0.3196  ?   ?    13.900   0.3196      ?      ? 
1 1 1  -38   12   16 o   2.4990   0.7475   2.5500   1.1480   2.4480   0.9583 0.1018000 1.495000 
1 1 1  -38   12   17 o   3.6580   0.7046   4.4690   0.9924   2.8460   1.0010 1.623000 1.409000 
1 1 1  -38   12   18 o   9.1480   0.3007   8.8970   0.4468   9.3990   0.4025 -0.5021000 0.6014000 
1 1 1  -38   12   19 o   8.4830   0.3196   8.4250   0.4685   8.5410   0.4347 -0.1165000 0.6391000 
1 1 1  -38   12   20 o  10.0000   0.3476   10.180   0.5217   9.8230   0.4596 0.3553000 0.6953000 
1 1 1  -38   12   21 o   4.8680   0.7975   5.6310   1.2400   4.1060   1.0030 1.526000 1.595000 
1 1 1  -38   12   22 f   2.9400   0.7217   3.2140   1.0450   2.6660   0.9959 0.5478000 1.443000 
1 1 1  -38   12   23 o   5.1150   0.6268   4.5240   0.8932   5.7060   0.8796 -1.182000 1.254000 
1 1 1  -38   12   24 o   11.360   0.2799   11.770   0.4020   10.950   0.3895 0.8246000 0.5597000 
1 1 1  -38   12   25 o   8.0510   0.3442   7.9000   0.4674   8.2010   0.5054 -0.3016000 0.6884000 
1 1 1  -38   12   26 o   4.2980   0.7259   3.6400   1.0330   4.9550   1.0210 -1.315000 1.452000 
1 1 1  -38   12   27 o   4.6990   0.5873   4.8680   0.7802   4.5310   0.8779 0.3368000 1.175000 
1 1 1  -38   12   28 o   9.8750   0.3028   9.4950   0.4302   10.250   0.4262 -0.7594000 0.6056000 
1 1 1  -38   12   29 o   9.5010   0.3251   9.7660   0.4412   9.2370   0.4777 0.5288000 0.6502000 
1 1 1  -38   14    1 o   14.480   0.2154   14.110   0.3240   14.850   0.2840 -0.7403000 0.4309000 
1 1 1  -38   14    2 o   7.0490   0.3578   7.4030   0.5068   6.6960   0.5052 0.7069000 0.7156000 
1 1 1  -38   14    3 o   3.8280   0.6138   4.4160   0.8305   3.2400   0.9042 1.176000 1.228000 
1 1 1  -38   14    4 o   14.540   0.1904   14.510   0.2690   14.570   0.2695 -0.6444000E-01 0.3807000 
1 1 1  -38   14    5 o   13.120   0.2020   13.360   0.2864   12.870   0.2849 0.4871000 0.4039000 
1 1 1  -38   14    6 o   11.710   0.2131   11.720   0.2986   11.700   0.3042 0.1985000E-01 0.4262000 
1 1 1  -38   14    7 o   17.350   0.1966   17.430   0.3024   17.270   0.2513 0.1656000 0.3932000 
1 1 1  -38   14    8 o   15.210   0.2034   15.140   0.3153   15.280   0.2571 -0.1416000 0.4068000 
1 1 1  -38   14    9 o   11.150   0.2418   11.150   0.3717   11.150   0.3095 0.4394000E-02 0.4836000 
1 1 1  -38   14   10 o   5.4740   0.4647   5.7310   0.7040   5.2170   0.6066 0.5142000 0.9293000 
1 1 1  -38   14   11 o   19.860   0.1957   20.060   0.3022   19.660   0.2489 0.4005000 0.3915000 
1 1 1  -38   14   12 o   14.440   0.2133   14.320   0.3311   14.570   0.2691 -0.2481000 0.4267000 
1 1 1  -38   14   13 o   8.7390   0.3039   8.7700   0.4613   8.7070   0.3959 0.6300000E-01 0.6079000 
1 1 1  -38   14   14 o   20.520   0.1949   20.680   0.2965   20.370   0.2532 0.3059000 0.3899000 
1 1 1  -38   14   15 o   2.9630   0.6831   3.4200   1.0050   2.5050   0.9252 0.9151000 1.366000 
1 1 1  -38   14   16 o   7.2190   0.4022   7.7030   0.6494   6.7360   0.4746 0.9666000 0.8044000 
1 1 1  -38   14   17 o   8.6100   0.4944   8.7280   0.8279   8.4910   0.5406 0.2369000 0.9888000 
1 1 1  -38   14   18 o   12.780   0.3832   12.540   0.6516   13.020   0.4034 -0.4810000 0.7664000 
1 1 1  -38   14   19 o   15.660   0.2565   15.720   0.4053   15.600   0.3143 0.1250000 0.5129000 
1 1 1  -38   14   20 o   6.3250   0.4959   6.0840   0.7984   6.5660   0.5884 -0.4824000 0.9918000 
1 1 1  -38   14   21 o   2.6830   0.6751   1.9680   0.8969   3.3980   1.0090 -1.430000 1.350000 
1 1 1  -38   14   22 o   2.9420   0.7165   3.5090   1.0430   2.3750   0.9826 1.134000 1.433000 
1 1 1  -38   14   23 o   4.3990   0.6719   4.4430   0.9425   4.3540   0.9580 0.8925000E-01 1.344000 
1 1 1  -38   14   24 o   6.7040   0.4800   5.5120   0.7878   7.8960   0.5485 -2.384000 0.9599000 
1 1 1  -38   14   25 o   2.7180   0.7689   2.5460   1.0300   2.8900   1.1420 -0.3438000 1.538000 
1 1 1  -38   14   26 o   5.8280   0.5220   6.1280   0.7125   5.5280   0.7632 0.5993000 1.044000 
1 1 1  -38   14   27 o   2.6670   0.7288   3.0210   1.0820   2.3130   0.9768 0.7076000 1.458000 
1 1 1  -38   16    1 o   7.9840   0.3343   7.7620   0.5072   8.2060   0.4357 -0.4444000 0.6687000 
1 1 1  -38   16    2 o   3.5030   0.6370   2.6030   0.9953   4.4030   0.7954 -1.800000 1.274000 
1 1 1  -38   16    3 o   6.0920   0.4228   5.7410   0.6492   6.4420   0.5419 -0.7014000 0.8457000 
1 1 1  -38   16    4 o   8.9720   0.2829   9.3150   0.3873   8.6300   0.4125 0.6843000 0.5659000 
1 1 1  -38   16    5 o   7.4900   0.3275   7.8150   0.4400   7.1650   0.4853 0.6501000 0.6550000 
1 1 1  -38   16    6 o   7.5700   0.3157   7.9230   0.4243   7.2160   0.4676 0.7070000 0.6314000 
1 1 1  -38   16    7 o   4.2960   0.5451   3.5250   0.8705   5.0670   0.6563 -1.542000 1.090000 
1 1 1  -38   16    8 o   4.7480   0.5438   4.8480   0.8136   4.6490   0.7218 0.1995000 1.088000 
1 1 1  -38   16    9 o   6.5240   0.3996   6.3930   0.6281   6.6550   0.4942 -0.2616000 0.7992000 
1 1 1  -38   16   10 o   14.010   0.2229   14.160   0.3401   13.850   0.2881 0.3054000 0.4457000 
1 1 1  -38   16   11 o   12.580   0.2399   12.880   0.3666   12.280   0.3094 0.6032000 0.4797000 
1 1 1  -38   16   12 o   2.5710   0.6867   3.0570   1.0570   2.0850   0.8771 0.9720000 1.373000 
1 1 1  -38   16   13 o   8.9070   0.3655   8.3690   0.6075   9.4460   0.4068 -1.077000 0.7311000 
1 1 1  -38   16   14 o   13.970   0.2714   14.430   0.4325   13.510   0.3281 0.9192000 0.5429000 
1 1 1  -38   16   15 o   12.080   0.2515   12.270   0.3778   11.880   0.3319 0.3907000 0.5029000 
1 1 1  -38   16   16 o   5.4180   0.6482   4.8470   1.1090   5.9880   0.6714 -1.142000 1.296000 
1 1 1  -38   16   17 o   13.540   0.3031   12.970   0.4927   14.100   0.3530 -1.128000 0.6062000 
1 1 1  -38   16   18 o   5.8490   0.7265   5.7300   1.3270   5.9670   0.5918 -0.2367000 1.453000 
1 1 1  -38   16   19 o   6.0680   0.7205   6.1350   1.2650   6.0000   0.6911 0.1346000 1.441000 
1 1 1  -38   16   20 o   5.9170   0.4978   6.1140   0.7037   5.7190   0.7041 0.3942000 0.9955000 
1 1 1  -38   16   21 o   10.230   0.3095   10.030   0.4561   10.440   0.4184 -0.4046000 0.6189000 
1 1 1  -38   16   22 o   12.540   0.2759   12.500   0.3997   12.580   0.3805 -0.7941000E-01 0.5518000 
1 1 1  -38   16   23 o   4.3880   0.7376   4.8840   0.8899   3.8920   1.1770 0.9914000 1.475000 
1 1 1  -38   16   24 o   6.1810   0.4954   6.2150   0.6886   6.1470   0.7123 0.6829000E-01 0.9908000 
1 1 1  -38   16   25 o   6.4290   0.5681   5.4600   0.8119   7.3980   0.7947 -1.938000 1.136000 
1 1 1  -38   16   26 o   4.2510   0.8475   3.7750   1.2120   4.7270   1.1840 -0.9516000 1.695000 
1 1 1  -38   18    1 o   5.6310   0.6367   5.7040   0.9594   5.5580   0.8373 0.1455000 1.273000 
1 1 1  -38   18    2 o   5.8830   0.5934   6.0800   0.8632   5.6860   0.8145 0.3945000 1.187000 
1 1 1  -38   18    3 o   12.440   0.2630   12.310   0.3339   12.560   0.4065 -0.2485000 0.5261000 
1 1 1  -38   18    4 o   7.3930   0.3604   6.7120   0.5570   8.0730   0.4575 -1.361000 0.7208000 
1 1 1  -38   18    5 f   4.8760   0.5235   5.1490   0.6937   4.6030   0.7843 0.5456000 1.047000 
1 1 1  -38   18    6 o   7.2280   0.3476   6.8740   0.5118   7.5810   0.4703 -0.7069000 0.6951000 
1 1 1  -38   18    7 o   12.620   0.2227   12.480   0.3132   12.760   0.3166 -0.2764000 0.4453000 
1 1 1  -38   18    8 o   13.850   0.2344   13.980   0.3566   13.720   0.3044 0.2656000 0.4688000 
1 1 1  -38   18    9 o   12.810   0.2481   12.770   0.3826   12.860   0.3160 -0.8981000E-01 0.4962000 
1 1 1  -38   18   10 o   17.140   0.2174   17.230   0.3331   17.050   0.2793 0.1826000 0.4348000 
1 1 1  -38   18   11 o   17.110   0.2771   17.420   0.4414   16.790   0.3351 0.6284000 0.5542000 
1 1 1  -38   18   12 f   5.1310   0.6958   5.9070   1.0020   4.3560   0.9656 1.551000 1.392000 
1 1 1  -38   18   13 o   14.560   0.2871   14.680   0.4524   14.450   0.3537 0.2352000 0.5742000 
1 1 1  -38   18   14 o   10.760   0.3241   10.750   0.5362   10.760   0.3641 -0.1365000E-01 0.6482000 
1 1 1  -38   18   15 o   10.870   0.2843   10.950   0.4287   10.790   0.3736 0.1663000 0.5687000 
1 1 1  -38   18   16 o   15.000   0.2348   14.950   0.3545   15.040   0.3081 -0.8300000E-01 0.4697000 
1 1 1  -38   18   17 o   10.010   0.2957   9.9570   0.4494   10.060   0.3843 -0.1060000 0.5913000 
1 1 1  -38   18   18 o   4.2710   0.7209   4.9240   1.0910   3.6190   0.9427 1.305000 1.442000 
1 1 1  -38   18   19 o   2.0950   0.6751   1.9870   0.9799   2.2040   0.9289 -0.2171000 1.350000 
1 1 1  -38   18   20 o   5.6180   0.6044   6.0840   0.8670   5.1520   0.8425 0.9312000 1.209000 
1 1 1  -38   18   21 o   2.0130   0.6590   2.0610   0.9289   1.9650   0.9351 0.9520000E-01 1.318000 
1 1 1  -38   18   22 o   4.0420   0.7120   3.5640   1.0730   4.5190   0.9357 -0.9554000 1.424000 
1 1 1  -38   18   23 o   3.4550   0.7027   2.4600   1.0400   4.4500   0.9455 -1.990000 1.405000 
1 1 1  -38   18   24 o   2.1690   0.7106   2.0900   0.9795   2.2480   1.0300 -0.1587000 1.421000 
1 1 1  -38   20    1 o   2.0430   0.6404   1.8130   0.8543   2.2720   0.9543 -0.4587000 1.281000 
1 1 1  -38   20    2 o   6.9700   0.4131   7.1220   0.5981   6.8180   0.5701 0.3043000 0.8262000 
1 1 1  -38   20    3 f   3.9310   0.6488   2.9760   1.0270   4.8860   0.7935 -1.910000 1.298000 
1 1 1  -38   20    4 o   2.6150   0.6666   1.8690   0.8548   3.3620   1.0230 -1.493000 1.333000 
1 1 1  -38   20    5 o   2.2060   0.6570   2.0310   0.8886   2.3810   0.9680 -0.3495000 1.314000 
1 1 1  -38   20    6 f   9.6630   0.2859   9.4970   0.4049   9.8290   0.4037 -0.3319000 0.5717000 
1 1 1  -38   20    7 o   7.5570   0.3442   7.7770   0.4662   7.3370   0.5066 0.4398000 0.6885000 
1 1 1  -38   20    8 o   7.2410   0.4017   7.1330   0.6194   7.3480   0.5118 -0.2153000 0.8034000 
1 1 1  -38   20    9 o   5.6690   0.5085   5.9560   0.7416   5.3820   0.6960 0.5745000 1.017000 
1 1 1  -38   20   10 o   9.2950   0.3228   9.4690   0.4894   9.1210   0.4209 0.3484000 0.6455000 
1 1 1  -38   20   11 o   7.8510   0.3716   8.3490   0.5523   7.3540   0.4972 0.9944000 0.7431000 
1 1 1  -38   20   12 o   4.0420   0.6990   4.1990   1.0490   3.8860   0.9244 0.3126000 1.398000 
1 1 1  -38   20   13 o   10.140   0.3069   10.160   0.4771   10.120   0.3863 0.4159000E-01 0.6139000 
1 1 1  -38   20   14 o   6.8930   0.4124   6.8630   0.6321   6.9230   0.5299 -0.5931000E-01 0.8248000 
1 1 1  -38   20   15 o   2.6540   0.7027   2.2930   0.9858   3.0140   1.0020 -0.7210000 1.405000 
1 1 1  -38   20   16 o   4.8590   0.5940   5.1900   0.8347   4.5280   0.8452 0.6625000 1.188000 
1 1 1  -38   20   17 o   2.3570   0.6990   2.3220   0.9973   2.3930   0.9798 -0.7036000E-01 1.398000 
1 1 1  -38   20   18 o   2.9760   0.7598   3.1560   1.0920   2.7970   1.0570 0.3589000 1.520000 
1 1 1  -38   20   19 o   1.8070   0.6193   2.0870   0.9845   1.5270   0.7516 0.5600000 1.239000 
1 1 1  -38   20   20 o   2.8260   0.7934   2.6650   1.2180   2.9870   1.0170 -0.3228000 1.587000 
1 1 1  -38   20   21 o   6.2200   0.5949   5.9760   0.9267   6.4640   0.7463 -0.4876000 1.190000 
1 1 1  -38   20   22 o   5.8570   0.5701   6.1830   0.7657   5.5310   0.8449 0.6521000 1.140000 
1 1 1  -38   22    1 o   2.4220   0.7508   2.3340   1.0670   2.5100   1.0570 -0.1759000 1.502000 
1 1 1  -38   22    2 o   10.160   0.4007   9.4530   0.6503   10.870   0.4684 -1.414000 0.8014000 
1 1 1  -38   22    3 o   3.0350   0.6945   3.8440   1.0080   2.2270   0.9551 1.618000 1.389000 
1 1 1  -38   22    4 o   8.9760   0.3289   8.8920   0.4627   9.0600   0.4675 -0.1685000 0.6578000 
1 1 1  -38   22    5 o   1.7570   0.5820   1.7160   0.8083   1.7980   0.8377 -0.8209000E-01 1.164000 
1 1 1  -38   22    6 o   7.9890   0.3460   8.1350   0.4743   7.8440   0.5040 0.2909000 0.6921000 
1 1 1  -38   22    7 o   9.6860   0.2940   10.220   0.3963   9.1490   0.4343 1.074000 0.5880000 
1 1 1  -38   22    8 o   4.3350   0.6786   5.2130   0.9044   3.4570   1.0120 1.756000 1.357000 
1 1 1  -38   22    9 o   3.3220   0.7420   3.0860   1.1030   3.5590   0.9926 -0.4727000 1.484000 
1 1 1  -38   22   10 f   4.0380   0.7010   3.7780   1.0860   4.2970   0.8868 -0.5185000 1.402000 
1 1 1  -38   22   11 o   3.4080   0.6909   2.6030   1.0550   4.2140   0.8920 -1.611000 1.382000 
1 1 1  -38   22   12 o   3.3360   0.7780   3.0890   1.1250   3.5820   1.0750 -0.4933000 1.556000 
1 1 1  -38   22   13 o   6.2810   0.5187   6.3710   0.7505   6.1910   0.7162 0.1797000 1.037000 
1 1 1  -38   22   14 o   8.2420   0.3968   8.3210   0.5700   8.1630   0.5521 0.1579000 0.7936000 
1 1 1  -38   22   15 o   3.0490   0.7439   3.5150   1.1050   2.5820   0.9961 0.9330000 1.488000 
1 1 1  -38   22   16 o   3.9340   0.8141   4.3240   1.1860   3.5450   1.1150 0.7788000 1.628000 
1 1 1  -38   22   17 o   11.530   0.3607   11.380   0.5508   11.680   0.4658 -0.3032000 0.7214000 
1 1 1  -38   22   18 o   6.2020   0.6177   6.0320   0.9531   6.3710   0.7859 -0.3390000 1.235000 
1 1 1  -38   22   19 f   1.7620   0.5946   1.8050   0.8623   1.7180   0.8189 0.8685000E-01 1.189000 
1 1 1  -38   24    1 o   2.2710   0.7199   2.5100   1.0920   2.0310   0.9388 0.4795000 1.440000 
1 1 1  -38   24    2 o   5.5670   0.7265   4.7010   1.2410   6.4330   0.7555 -1.732000 1.453000 
1 1 1  -38   24    3 o   2.1320   0.6833   1.8730   0.8907   2.3910   1.0360 -0.5182000 1.367000 
1 1 1  -38   24    4 o   3.7980   0.7948   3.8910   1.1250   3.7040   1.1230 0.1861000 1.590000 
1 1 1  -38   24    5 o   5.0260   0.6685   5.5650   0.8305   4.4860   1.0480 1.078000 1.337000 
1 1 1  -38   24    6 o   1.9050   0.6304   2.1890   0.9780   1.6210   0.7956 0.5681000 1.261000 
1 1 1  -38   24    7 o   5.1680   0.6391   4.7080   0.9709   5.6280   0.8312 -0.9196000 1.278000 
1 1 1  -38   24    8 o   3.3760   0.8129   2.9980   1.1880   3.7530   1.1100 -0.7550000 1.626000 
1 1 1  -38   24    9 o   7.9040   0.4720   8.2520   0.7113   7.5550   0.6206 0.6973000 0.9439000 
1 1 1  -38   24   10 o   3.1440   0.7888   2.5860   1.1260   3.7030   1.1050 -1.117000 1.578000 
1 1 1  -38   24   11 o   2.7040   0.7809   2.7310   1.1340   2.6760   1.0740 0.5467000E-01 1.562000 
1 1 1  -38   24   12 o   3.7590   0.7593   4.2790   1.1050   3.2390   1.0420 1.040000 1.519000 
1 1 1  -38   24   13 o   2.2670   0.7011   2.4100   1.0470   2.1250   0.9325 0.2850000 1.402000 
1 1 1  -38   24   14 o   6.9320   0.4605   6.4640   0.7348   7.4000   0.5552 -0.9362000 0.9210000 
1 1 1  -38   24   15 o   7.2570   0.4379   7.0560   0.6791   7.4590   0.5531 -0.4030000 0.8759000 
1 1 1  -38   24   16 o   2.2020   0.6893   2.3620   1.0290   2.0420   0.9173 0.3200000 1.379000 
1 1 1  -38   26    1 o   5.5160   0.6060   5.9580   0.8379   5.0740   0.8757 0.8836000 1.212000 
1 1 1  -38   26    2 o   5.1470   0.6585   5.7170   0.8922   4.5760   0.9686 1.142000 1.317000 
1 1 1  -38   26    3 o   7.9220   0.4098   7.3230   0.6238   8.5210   0.5315 -1.199000 0.8195000 
1 1 1  -38   26    4 o   5.7970   0.5515   5.4040   0.8519   6.1900   0.7004 -0.7863000 1.103000 
1 1 1  -38   26    5 o   3.7170   0.7420   3.4980   1.0720   3.9360   1.0270 -0.4387000 1.484000 
1 1 1  -38   26    6 o   4.6050   0.6548   4.3700   0.9844   4.8400   0.8638 -0.4695000 1.310000 
1 1 1  -38   26    7 o   3.5030   0.7339   3.9500   1.0170   3.0560   1.0590 0.8944000 1.468000 
1 1 1  -38   26    8 o   4.7950   0.6786   5.5170   0.9212   4.0730   0.9967 1.445000 1.357000 
1 1 1  -38   26    9 o   2.6230   0.6977   1.9000   0.8991   3.3470   1.0670 -1.448000 1.395000 
1 1 1  -38   26   10 o   1.7820   0.6039   1.9340   0.9140   1.6310   0.7894 0.3030000 1.208000 
1 1 1  -37    1    1 o   31.040   0.2203   31.480   0.3449   30.610   0.2742 0.8713000 0.4406000 
1 1 1  -37    1    2 o   11.600   0.2488   11.600   0.2488  ?   ?       ?      ? 
1 1 1  -37    1    3 o   34.550   0.2320   33.650   0.3541   35.440   0.3000 -1.795000 0.4641000 
1 1 1  -37    1    4 o   18.690   0.1728   18.490   0.2935   18.890   0.1825 -0.3960000 0.3456000 
1 1 1  -37    1    5 o   40.040   0.3385  ?   ?    40.040   0.3385      ?      ? 
1 1 1  -37    1    6 o   21.440   0.2157   21.340   0.3511   21.530   0.2508 -0.1889000 0.4314000 
1 1 1  -37    1    7 o   29.050   0.3097  ?   ?    29.050   0.3097      ?      ? 
1 1 1  -37    1    8 o   13.940   0.2350   14.470   0.3288   13.420   0.3358 1.046000 0.4700000 
1 1 1  -37    1    9 o   4.9960   0.4575   5.7860   0.2756   4.2060   0.8725 1.580000 0.9150000 
1 1 1  -37    1   10 o   9.3290   0.1681   9.7690   0.2501   8.8900   0.2248 0.8798000 0.3363000 
1 1 1  -37    1   11 o   2.4690   0.4908   1.6090   0.7664   3.3280   0.6134 -1.719000 0.9816000 
1 1 1  -37    1   12 f   47.610   0.2438   47.370   0.3435   47.840   0.3461 -0.4754000 0.4877000 
1 1 1  -37    1   13 o   27.830   0.1577   27.840   0.2237   27.810   0.2224 0.2922000E-01 0.3154000 
1 1 1  -37    1   14 o   17.040   0.1547   17.040   0.2221   17.040   0.2155 -0.4807000E-02 0.3094000 
1 1 1  -37    1   15 o   6.1000   0.3755   5.9480   0.5487   6.2520   0.5128 -0.3043000 0.7510000 
1 1 1  -37    1   16 o   7.6220   0.2420   7.5640   0.3619   7.6800   0.3215 -0.1163000 0.4840000 
1 1 1  -37    1   17 o   11.300   0.1751   11.630   0.2436   10.980   0.2517 0.6411000 0.3503000 
1 1 1  -37    1   18 o   27.280   0.1677   27.290   0.2379   27.260   0.2366 0.3796000E-01 0.3355000 
1 1 1  -37    1   19 o   15.620   0.1757   15.390   0.2694   15.840   0.2255 -0.4585000 0.3513000 
1 1 1  -37    1   20 o   9.4990   0.2128   9.2380   0.3116   9.7610   0.2899 -0.5235000 0.4255000 
1 1 1  -37    1   21 o   8.7520   0.2311   8.9330   0.3227   8.5700   0.3309 0.3637000 0.4622000 
1 1 1  -37    1   22 o   8.2370   0.2516   7.7880   0.3745   8.6870   0.3361 -0.8995000 0.5031000 
1 1 1  -37    1   23 o   12.330   0.2756   12.420   0.3956   12.240   0.3838 0.1788000 0.5512000 
1 1 1  -37    1   24 o   9.6710   0.2555   9.9640   0.3331   9.3790   0.3875 0.5852000 0.5110000 
1 1 1  -37    1   25 o   7.8320   0.3083   8.0440   0.4064   7.6200   0.4637 0.4243000 0.6166000 
1 1 1  -37    1   26 o   18.800   0.1945   18.740   0.2577   18.870   0.2913 -0.1325000 0.3890000 
1 1 1  -37    1   27 o   5.4350   0.5451   5.3470   0.7574   5.5230   0.7842 -0.1753000 1.090000 
1 1 1  -37    1   28 o   12.650   0.2946   13.240   0.3394   12.050   0.4816 1.183000 0.5892000 
1 1 1  -37    1   29 f   18.840   0.2075   19.050   0.2728   18.620   0.3128 0.4207000 0.4151000 
1 1 1  -37    1   30 o   8.7810   0.3190   8.9610   0.4164   8.6000   0.4835 0.3617000 0.6381000 
1 1 1  -37    1   31 o   6.3530   0.4352   6.4190   0.5806   6.2870   0.6483 0.1325000 0.8703000 
1 1 1  -37    1   32 o   4.3230   0.6552   3.9770   0.9463   4.6690   0.9065 -0.6928000 1.310000 
1 1 1  -37    3    1 o   11.810   0.1841   11.600   0.2852   12.020   0.2330 -0.4263000 0.3683000 
1 1 1  -37    3    2 o   40.830   0.2749   40.510   0.4229   41.160   0.3514 -0.6468000 0.5498000 
1 1 1  -37    3    3 o   8.4800   0.1714   8.3360   0.2704   8.6230   0.2106 -0.2865000 0.3427000 
1 1 1  -37    3    4 o   26.780   0.2532   26.400   0.4444   27.160   0.2427 -0.7656000 0.5063000 
1 1 1  -37    3    5 o   54.900   0.4856   54.760   0.7928   55.040   0.5610 -0.2785000 0.9712000 
1 1 1  -37    3    6 o   63.070   0.5556   63.480   0.9123   62.650   0.6342 0.8298000 1.111000 
1 1 1  -37    3    7 o   15.730   0.1872   16.000   0.2662   15.450   0.2634 0.5577000 0.3744000 
1 1 1  -37    3    8 o   29.170   0.2308   29.200   0.3272   29.140   0.3257 0.6221000E-01 0.4617000 
1 1 1  -37    3    9 o   46.820   0.3111   46.730   0.4821   46.910   0.3933 -0.1747000 0.6222000 
1 1 1  -37    3   10 o   52.020   0.2860   52.180   0.3753   51.870   0.4316 0.3055000 0.5720000 
1 1 1  -37    3   11 o   34.490   0.3745  ?   ?    34.490   0.3745      ?      ? 
1 1 1  -37    3   12 o   17.090   0.1768   17.540   0.2514   16.630   0.2485 0.9052000 0.3536000 
1 1 1  -37    3   13 o   15.220   0.1865   14.860   0.2689   15.580   0.2586 -0.7150000 0.3730000 
1 1 1  -37    3   14 o   33.080   0.1978   33.210   0.2598   32.950   0.2983 0.2612000 0.3956000 
1 1 1  -37    3   15 o   31.450   0.1920   31.330   0.2507   31.570   0.2910 -0.2414000 0.3841000 
1 1 1  -37    3   16 o   11.780   0.2242   11.140   0.2895   12.410   0.3423 -1.271000 0.4483000 
1 1 1  -37    3   17 o   24.210   0.1709   24.330   0.2251   24.100   0.2573 0.2317000 0.3419000 
1 1 1  -37    3   18 o   33.240   0.2047   33.370   0.2693   33.120   0.3084 0.2469000 0.4095000 
1 1 1  -37    3   19 o   8.9210   0.2358   8.6040   0.3290   9.2390   0.3380 -0.6350000 0.4717000 
1 1 1  -37    3   20 o   22.250   0.1732   22.580   0.2310   21.920   0.2582 0.6618000 0.3464000 
1 1 1  -37    3   21 o   20.450   0.1744   20.300   0.2293   20.610   0.2627 -0.3067000 0.3487000 
1 1 1  -37    3   22 o   11.700   0.2546   11.980   0.3123   11.410   0.4020 0.5738000 0.5091000 
1 1 1  -37    3   23 o   10.880   0.2258   10.840   0.3045   10.930   0.3334 -0.9433000E-01 0.4515000 
1 1 1  -37    3   24 o   14.050   0.2160   14.190   0.3110   13.920   0.2998 0.2695000 0.4320000 
1 1 1  -37    3   25 o   6.3070   0.3770   6.6850   0.4754   5.9290   0.5853 0.7555000 0.7541000 
1 1 1  -37    3   26 o   22.520   0.1938   22.340   0.2549   22.700   0.2921 -0.3531000 0.3876000 
1 1 1  -37    3   27 o   10.930   0.2976   11.030   0.4003   10.840   0.4405 0.1883000 0.5952000 
1 1 1  -37    3   28 o   13.930   0.2754   13.710   0.3445   14.140   0.4298 -0.4324000 0.5508000 
1 1 1  -37    3   29 o   16.880   0.2139   16.910   0.2871   16.840   0.3172 0.7301000E-01 0.4279000 
1 1 1  -37    3   30 o   2.5850   0.6876   2.0800   0.9025   3.0910   1.0380 -1.011000 1.375000 
1 1 1  -37    3   31 o   1.9130   0.6163   2.0200   0.8956   1.8070   0.8469 0.2130000 1.233000 
1 1 1  -37    3   32 o   10.520   0.2932   10.490   0.3996   10.550   0.4293 -0.5831000E-01 0.5865000 
1 1 1  -37    5    1 o   34.500   0.2158   34.590   0.3060   34.400   0.3044 0.1929000 0.4316000 
1 1 1  -37    5    2 o   23.190   0.2925  ?   ?    23.190   0.2925      ?      ? 
1 1 1  -37    5    3 o   31.180   0.2202   31.870   0.2811   30.490   0.3391 1.388000 0.4405000 
1 1 1  -37    5    4 o   28.040   0.2109   27.870   0.2501   28.210   0.3397 -0.3403000 0.4218000 
1 1 1  -37    5    5 o   6.2930   0.5113   6.0920   0.8478   6.4930   0.5719 -0.4010000 1.023000 
1 1 1  -37    5    6 o   27.170   0.1967   27.680   0.3310   26.650   0.2127 1.029000 0.3934000 
1 1 1  -37    5    7 o   35.800   0.2380   35.750   0.3918   35.850   0.2704 -0.1014000 0.4761000 
1 1 1  -37    5    8 o   36.170   0.2077   35.970   0.3144   36.370   0.2715 -0.4008000 0.4153000 
1 1 1  -37    5    9 o   56.090   0.3288   55.950   0.4640   56.220   0.4658 -0.2729000 0.6575000 
1 1 1  -37    5   10 o   9.7390   0.1856   9.8290   0.2357   9.6490   0.2868 0.1794000 0.3713000 
1 1 1  -37    5   11 o   27.410   0.2216   27.740   0.3179   27.080   0.3088 0.6581000 0.4432000 
1 1 1  -37    5   12 o   27.320   0.1735   27.150   0.2262   27.490   0.2631 -0.3437000 0.3470000 
1 1 1  -37    5   13 o   37.740   0.2606   37.620   0.4007   37.860   0.3332 -0.2395000 0.5211000 
1 1 1  -37    5   14 o   24.910   0.2028   24.170   0.3070   25.640   0.2651 -1.471000 0.4057000 
1 1 1  -37    5   15 o   12.290   0.2339   12.360   0.2916   12.220   0.3657 0.1390000 0.4677000 
1 1 1  -37    5   16 o   24.180   0.1867   24.680   0.2694   23.670   0.2586 1.004000 0.3734000 
1 1 1  -37    5   17 f   14.430   0.1758   14.620   0.2332   14.250   0.2631 0.3708000 0.3516000 
1 1 1  -37    5   18 o   14.130   0.1797   14.160   0.2412   14.090   0.2665 0.7258000E-01 0.3595000 
1 1 1  -37    5   19 o   12.150   0.1987   11.960   0.2702   12.350   0.2914 -0.3927000 0.3974000 
1 1 1  -37    5   20 o   11.800   0.2063   11.980   0.2746   11.610   0.3080 0.3638000 0.4126000 
1 1 1  -37    5   21 o   24.260   0.2207   24.310   0.2800   24.210   0.3411 0.1012000 0.4414000 
1 1 1  -37    5   22 o   19.390   0.1820   19.370   0.2438   19.400   0.2703 -0.2669000E-01 0.3640000 
1 1 1  -37    5   23 o   11.770   0.2340   11.960   0.3336   11.590   0.3281 0.3659000 0.4680000 
1 1 1  -37    5   24 f   13.850   0.2208   13.840   0.3198   13.860   0.3044 -0.2016000E-01 0.4415000 
1 1 1  -37    5   25 o   10.420   0.2502   10.230   0.3405   10.600   0.3667 -0.3714000 0.5004000 
1 1 1  -37    5   26 o   19.220   0.2279   19.640   0.3035   18.800   0.3400 0.8389000 0.4558000 
1 1 1  -37    5   27 o   11.960   0.2397   11.950   0.3206   11.980   0.3565 -0.3649000E-01 0.4794000 
1 1 1  -37    5   28 o   5.8470   0.5473   5.5340   0.7129   6.1590   0.8306 -0.6250000 1.095000 
1 1 1  -37    5   29 o   4.2560   0.6227   4.5580   0.7991   3.9530   0.9551 0.6059000 1.245000 
1 1 1  -37    5   30 o   13.010   0.2435   13.120   0.3256   12.910   0.3620 0.2062000 0.4870000 
1 1 1  -37    5   31 o   1.9900   0.6286   1.9900   0.8835   1.9900   0.8944 0.3986000E-03 1.257000 
1 1 1  -37    7    1 o   11.790   0.2546   12.000   0.2616   11.590   0.4370 0.4074000 0.5093000 
1 1 1  -37    7    2 o   11.280   0.2523   11.120   0.2598   11.440   0.4326 -0.3280000 0.5047000 
1 1 1  -37    7    3 o   21.380   0.2055   21.490   0.2326   21.260   0.3389 0.2302000 0.4110000 
1 1 1  -37    7    4 o   35.500   0.2534   35.850   0.3933   35.150   0.3196 0.7017000 0.5068000 
1 1 1  -37    7    5 o   25.260   0.1848   25.390   0.2613   25.130   0.2614 0.2574000 0.3696000 
1 1 1  -37    7    6 o   12.490   0.2288   12.480   0.3711   12.500   0.2676 -0.2770000E-01 0.4575000 
1 1 1  -37    7    7 o   20.820   0.2157   20.240   0.3207   21.400   0.2886 -1.163000 0.4314000 
1 1 1  -37    7    8 o   20.600   0.2911  ?   ?    20.600   0.2911      ?      ? 
1 1 1  -37    7    9 o   25.420   0.2132   25.210   0.3356   25.640   0.2629 -0.4262000 0.4263000 
1 1 1  -37    7   10 o   8.9140   0.2165   9.3510   0.3248   8.4760   0.2863 0.8755000 0.4330000 
1 1 1  -37    7   11 o   20.950   0.1635   20.920   0.2506   20.980   0.2100 -0.5595000E-01 0.3269000 
1 1 1  -37    7   12 o   11.810   0.2094   11.510   0.3055   12.110   0.2865 -0.6030000 0.4188000 
1 1 1  -37    7   13 o   11.620   0.2097   11.840   0.3013   11.390   0.2917 0.4591000 0.4193000 
1 1 1  -37    7   14 f   28.450   0.2489   27.640   0.3445   29.260   0.3594 -1.616000 0.4979000 
1 1 1  -37    7   15 o   29.480   0.3122   29.450   0.5055   29.510   0.3667 -0.6513000E-01 0.6245000 
1 1 1  -37    7   16 o   8.1330   0.2813   8.2110   0.3949   8.0550   0.4006 0.1561000 0.5626000 
1 1 1  -37    7   17 o   5.8060   0.3659   6.0020   0.4829   5.6090   0.5499 0.3929000 0.7319000 
1 1 1  -37    7   18 o   21.260   0.1764   21.150   0.2343   21.380   0.2637 -0.2249000 0.3528000 
1 1 1  -37    7   19 f   19.740   0.2113   19.680   0.2691   19.800   0.3259 -0.1284000 0.4227000 
1 1 1  -37    7   20 o   12.500   0.2464   12.440   0.3126   12.550   0.3809 -0.1103000 0.4927000 
1 1 1  -37    7   21 f   14.430   0.1932   14.390   0.2598   14.470   0.2859 -0.8733000E-01 0.3864000 
1 1 1  -37    7   22 o   10.010   0.2426   9.5320   0.3382   10.490   0.3478 -0.9552000 0.4851000 
1 1 1  -37    7   23 o   9.9530   0.2683   9.6730   0.3924   10.230   0.3660 -0.5595000 0.5366000 
1 1 1  -37    7   24 o   12.840   0.2207   12.790   0.2978   12.880   0.3258 -0.8951000E-01 0.4414000 
1 1 1  -37    7   25 o   14.700   0.2434   14.650   0.3354   14.750   0.3529 -0.9549000E-01 0.4868000 
1 1 1  -37    7   26 o   14.930   0.2140   15.270   0.2820   14.600   0.3221 0.6719000 0.4281000 
1 1 1  -37    7   27 o   3.2850   0.6971   3.4250   0.9434   3.1450   1.0260 0.2801000 1.394000 
1 1 1  -37    7   28 o   2.8870   0.7084   3.5270   1.0000   2.2480   1.0040 1.279000 1.417000 
1 1 1  -37    7   29 o   6.5960   0.4084   6.4660   0.5653   6.7260   0.5896 -0.2596000 0.8168000 
1 1 1  -37    7   30 o   3.7050   0.6137   4.9130   0.7283   2.4980   0.9880 2.416000 1.227000 
1 1 1  -37    7   31 o   2.9070   0.6534   1.9300   0.8706   3.8850   0.9746 -1.955000 1.307000 
1 1 1  -37    9    1 o   36.990   0.2746   36.700   0.3345   37.270   0.4357 -0.5712000 0.5493000 
1 1 1  -37    9    2 o   11.190   0.2096   11.040   0.2971   11.340   0.2957 -0.3005000 0.4192000 
1 1 1  -37    9    3 o   16.770   0.1667   16.600   0.2459   16.940   0.2250 -0.3373000 0.3333000 
1 1 1  -37    9    4 o   26.270   0.1774   25.880   0.2645   26.650   0.2365 -0.7694000 0.3549000 
1 1 1  -37    9    5 o   7.1230   0.2554   7.2620   0.3484   6.9850   0.3735 0.2771000 0.5108000 
1 1 1  -37    9    6 o   24.470   0.1756   24.320   0.2682   24.610   0.2268 -0.2868000 0.3512000 
1 1 1  -37    9    7 o   4.6320   0.4233   4.8540   0.6231   4.4110   0.5732 0.4434000 0.8466000 
1 1 1  -37    9    8 o   10.340   0.2113   10.250   0.3254   10.420   0.2696 -0.1705000 0.4226000 
1 1 1  -37    9    9 o   12.960   0.1912   13.010   0.2935   12.910   0.2451 0.1060000 0.3824000 
1 1 1  -37    9   10 o   20.130   0.1881   20.000   0.2647   20.260   0.2673 -0.2577000 0.3762000 
1 1 1  -37    9   11 o   21.640   0.1742   21.320   0.2678   21.960   0.2229 -0.6478000 0.3484000 
1 1 1  -37    9   12 o   12.620   0.1975   12.440   0.3105   12.800   0.2443 -0.3677000 0.3951000 
1 1 1  -37    9   13 o   25.250   0.2236   25.110   0.2801   25.390   0.3486 -0.2806000 0.4472000 
1 1 1  -37    9   14 o   29.640   0.2110   29.920   0.3025   29.350   0.2942 0.5771000 0.4220000 
1 1 1  -37    9   15 o   10.200   0.2555   9.8370   0.3838   10.550   0.3372 -0.7182000 0.5109000 
1 1 1  -37    9   16 o   7.6360   0.4655   7.6050   0.8239   7.6680   0.4336 -0.6335000E-01 0.9310000 
1 1 1  -37    9   17 o   16.020   0.3099   16.170   0.5098   15.860   0.3526 0.3110000 0.6199000 
1 1 1  -37    9   18 o   13.770   0.2732   14.130   0.3772   13.410   0.3952 0.7260000 0.5463000 
1 1 1  -37    9   19 o   19.080   0.1836   19.000   0.2416   19.160   0.2765 -0.1691000 0.3672000 
1 1 1  -37    9   20 o   16.840   0.1895   16.940   0.2511   16.730   0.2840 0.2097000 0.3791000 
1 1 1  -37    9   21 o   12.160   0.2218   12.140   0.2995   12.170   0.3272 -0.2884000E-01 0.4436000 
1 1 1  -37    9   22 o   3.2030   0.6157   2.2050   0.9186   4.2010   0.8200 -1.996000 1.231000 
1 1 1  -37    9   23 o   14.760   0.2695   14.380   0.4057   15.150   0.3547 -0.7674000 0.5389000 
1 1 1  -37    9   24 o   6.4310   0.4558   6.5280   0.6355   6.3330   0.6537 0.1948000 0.9116000 
1 1 1  -37    9   25 o   4.4330   0.5697   3.7870   0.8741   5.0780   0.7309 -1.290000 1.139000 
1 1 1  -37    9   26 o   6.9910   0.3736   6.7920   0.5160   7.1900   0.5405 -0.3982000 0.7473000 
1 1 1  -37    9   27 o   11.480   0.3083   11.580   0.3901   11.390   0.4775 0.1938000 0.6166000 
1 1 1  -37    9   28 o   12.480   0.2461   12.550   0.3351   12.420   0.3604 0.1251000 0.4921000 
1 1 1  -37    9   29 o   2.6010   0.6987   2.2540   0.9371   2.9480   1.0370 -0.6948000 1.397000 
1 1 1  -37    9   30 o   3.0580   0.7239   3.0950   1.0040   3.0210   1.0430 0.7348000E-01 1.448000 
1 1 1  -37   11    1 o   3.1040   0.6285   3.7920   0.8672   2.4150   0.9098 1.377000 1.257000 
1 1 1  -37   11    2 o   27.090   0.1909   26.780   0.2847   27.400   0.2545 -0.6242000 0.3818000 
1 1 1  -37   11    3 o   18.610   0.2588   18.900   0.3379   18.310   0.3921 0.5939000 0.5176000 
1 1 1  -37   11    4 f   15.160   0.2049   15.080   0.2900   15.230   0.2896 -0.1527000 0.4099000 
1 1 1  -37   11    5 o   15.280   0.2056   15.350   0.2918   15.220   0.2898 0.1274000 0.4112000 
1 1 1  -37   11    6 o   7.3330   0.3419   8.1250   0.4348   6.5410   0.5278 1.584000 0.6839000 
1 1 1  -37   11    7 o   25.560   0.2003   25.490   0.2828   25.640   0.2836 -0.1543000 0.4005000 
1 1 1  -37   11    8 o   34.670   0.2330   34.350   0.3281   34.990   0.3310 -0.6391000 0.4661000 
1 1 1  -37   11    9 o   9.4490   0.2762   9.6960   0.3892   9.2020   0.3921 0.4940000 0.5524000 
1 1 1  -37   11   10 o   25.920   0.2028   26.110   0.2911   25.740   0.2824 0.3694000 0.4056000 
1 1 1  -37   11   11 o   17.060   0.1862   17.230   0.2831   16.880   0.2421 0.3491000 0.3725000 
1 1 1  -37   11   12 o   3.9250   0.5850   3.6730   0.9463   4.1780   0.6880 -0.5050000 1.170000 
1 1 1  -37   11   13 f   2.0900   0.6067   1.8400   0.8408   2.3400   0.8748 -0.5000000 1.213000 
1 1 1  -37   11   14 o   27.340   0.2561   27.390   0.3627   27.300   0.3618 0.8480000E-01 0.5123000 
1 1 1  -37   11   15 o   12.340   0.2891   11.940   0.4207   12.740   0.3965 -0.7983000 0.5781000 
1 1 1  -37   11   16 o   13.930   0.2252   13.850   0.3265   14.010   0.3103 -0.1666000 0.4504000 
1 1 1  -37   11   17 o   12.730   0.3351   12.930   0.5848   12.530   0.3274 0.3919000 0.6702000 
1 1 1  -37   11   18 o   27.760   0.3063   27.960   0.5324   27.560   0.3029 0.3971000 0.6126000 
1 1 1  -37   11   19 o   11.740   0.2512   11.630   0.3615   11.850   0.3489 -0.2251000 0.5024000 
1 1 1  -37   11   20 o   10.150   0.2794   10.050   0.4005   10.250   0.3896 -0.1995000 0.5587000 
1 1 1  -37   11   21 o   5.2020   0.7361   5.7570   1.2260   4.6480   0.8154 1.108000 1.472000 
1 1 1  -37   11   22 o   9.0900   0.4929   8.5540   0.8677   9.6250   0.4677 -1.071000 0.9857000 
1 1 1  -37   11   23 o   2.0200   0.6223   1.8100   0.8208   2.2300   0.9355 -0.4204000 1.245000 
1 1 1  -37   11   24 o   3.2490   0.6760   3.7650   0.9022   2.7320   1.0070 1.033000 1.352000 
1 1 1  -37   11   25 o   6.0530   0.4442   5.6730   0.6370   6.4340   0.6194 -0.7612000 0.8885000 
1 1 1  -37   11   26 o   4.9610   0.6747   5.9270   0.7243   3.9950   1.1390 1.932000 1.349000 
1 1 1  -37   11   27 o   12.370   0.2578   12.640   0.3408   12.090   0.3869 0.5484000 0.5156000 
1 1 1  -37   11   28 o   7.0170   0.3932   6.7690   0.5628   7.2650   0.5494 -0.4951000 0.7865000 
1 1 1  -37   11   29 o   9.9730   0.3031   9.8560   0.4239   10.090   0.4334 -0.2355000 0.6062000 
1 1 1  -37   13    1 o   5.5420   0.4824   5.5900   0.7156   5.4950   0.6472 0.9539000E-01 0.9649000 
1 1 1  -37   13    2 o   2.9160   0.7065   2.5910   1.0130   3.2420   0.9851 -0.6517000 1.413000 
1 1 1  -37   13    3 o   6.7560   0.3915   6.8260   0.5664   6.6870   0.5407 0.1391000 0.7830000 
1 1 1  -37   13    4 o   39.410   0.2551   39.280   0.3576   39.540   0.3638 -0.2637000 0.5101000 
1 1 1  -37   13    5 o   9.2030   0.2819   9.6240   0.3843   8.7830   0.4126 0.8415000 0.5638000 
1 1 1  -37   13    6 o   4.5130   0.5254   4.3140   0.7627   4.7110   0.7227 -0.3966000 1.051000 
1 1 1  -37   13    7 o   9.2470   0.3032   9.4680   0.4624   9.0260   0.3925 0.4422000 0.6065000 
1 1 1  -37   13    8 o   14.460   0.2321   14.510   0.3607   14.410   0.2924 0.1068000 0.4643000 
1 1 1  -37   13    9 o   18.140   0.2193   18.010   0.3413   18.270   0.2754 -0.2596000 0.4385000 
1 1 1  -37   13   10 o   13.610   0.2423   13.890   0.3733   13.330   0.3091 0.5605000 0.4847000 
1 1 1  -37   13   11 o   12.920   0.2517   12.980   0.3933   12.860   0.3141 0.1141000 0.5033000 
1 1 1  -37   13   12 o   12.570   0.2258   12.580   0.3482   12.560   0.2876 0.1985000E-01 0.4517000 
1 1 1  -37   13   13 o   15.170   0.2056   15.040   0.3144   15.290   0.2648 -0.2478000 0.4111000 
1 1 1  -37   13   14 o   7.0990   0.3495   7.1710   0.5386   7.0260   0.4455 0.1451000 0.6990000 
1 1 1  -37   13   15 o   5.1850   0.4792   5.8060   0.6581   4.5630   0.6969 1.242000 0.9585000 
1 1 1  -37   13   16 o   3.1790   0.6898   3.7230   0.9687   2.6360   0.9822 1.087000 1.380000 
1 1 1  -37   13   17 o   16.900   0.2178   16.730   0.3148   17.070   0.3011 -0.3387000 0.4356000 
1 1 1  -37   13   18 o   6.9360   0.6479   5.7480   1.2030   8.1250   0.4827 -2.376000 1.296000 
1 1 1  -37   13   19 o   5.6380   0.7503   5.3590   1.3130   5.9170   0.7266 -0.5579000 1.501000 
1 1 1  -37   13   20 o   7.5380   0.6213   7.2110   1.1130   7.8640   0.5519 -0.6523000 1.243000 
1 1 1  -37   13   21 o   12.730   0.2541   12.950   0.3597   12.510   0.3589 0.4409000 0.5081000 
1 1 1  -37   13   22 o   3.9320   0.6875   4.5310   0.9047   3.3330   1.0360 1.199000 1.375000 
1 1 1  -37   13   23 o   3.8570   0.7006   3.8240   1.0140   3.8890   0.9669 -0.6519000E-01 1.401000 
1 1 1  -37   13   24 o   9.9930   0.3113   9.8190   0.4617   10.170   0.4178 -0.3479000 0.6227000 
1 1 1  -37   13   25 o   2.4080   0.7084   2.7890   1.0560   2.0280   0.9443 0.7615000 1.417000 
1 1 1  -37   13   26 o   11.050   0.2955   10.910   0.4266   11.200   0.4091 -0.2848000 0.5911000 
1 1 1  -37   13   27 o   9.3880   0.3203   9.8350   0.4131   8.9410   0.4897 0.8945000 0.6406000 
1 1 1  -37   13   28 o   3.3470   0.6915   4.0720   0.9281   2.6210   1.0250 1.451000 1.383000 
1 1 1  -37   15    1 o   27.750   0.2075   27.650   0.3110   27.840   0.2749 -0.1966000 0.4151000 
1 1 1  -37   15    2 o   16.620   0.2062   16.410   0.3070   16.830   0.2755 -0.4252000 0.4125000 
1 1 1  -37   15    3 o   12.140   0.2240   11.920   0.3158   12.350   0.3178 -0.4338000 0.4481000 
1 1 1  -37   15    4 o   8.5880   0.2950   8.6060   0.4147   8.5700   0.4197 0.3632000E-01 0.5900000 
1 1 1  -37   15    5 o   3.2080   0.6710   3.0520   0.9538   3.3640   0.9439 -0.3120000 1.342000 
1 1 1  -37   15    6 o   16.340   0.1895   16.510   0.2647   16.170   0.2712 0.3403000 0.3790000 
1 1 1  -37   15    7 o   16.980   0.2039   17.180   0.3103   16.790   0.2646 0.3843000 0.4078000 
1 1 1  -37   15    8 o   7.6430   0.3463   7.3150   0.5468   7.9700   0.4250 -0.6549000 0.6925000 
1 1 1  -37   15    9 o   7.5790   0.3415   7.3970   0.5369   7.7620   0.4221 -0.3649000 0.6830000 
1 1 1  -37   15   10 o   8.8030   0.3115   8.5110   0.4948   9.0940   0.3785 -0.5828000 0.6230000 
1 1 1  -37   15   11 o   14.200   0.2232   14.370   0.3459   14.030   0.2821 0.3442000 0.4463000 
1 1 1  -37   15   12 o   8.1020   0.3302   7.7440   0.5293   8.4590   0.3951 -0.7147000 0.6605000 
1 1 1  -37   15   13 o   12.570   0.2362   12.870   0.3589   12.280   0.3073 0.5959000 0.4725000 
1 1 1  -37   15   14 o   10.650   0.2659   10.720   0.4048   10.590   0.3449 0.1260000 0.5318000 
1 1 1  -37   15   15 o   17.960   0.2410   18.030   0.3799   17.900   0.2966 0.1330000 0.4819000 
1 1 1  -37   15   16 o   8.6200   0.3746   8.3960   0.6105   8.8440   0.4344 -0.4484000 0.7493000 
1 1 1  -37   15   17 o   6.9520   0.5038   7.2440   0.7345   6.6610   0.6896 0.5828000 1.008000 
1 1 1  -37   15   18 o   4.5400   0.6950   4.1010   1.1480   4.9790   0.7842 -0.8779000 1.390000 
1 1 1  -37   15   19 o   4.1910   0.8026   3.4430   1.3860   4.9390   0.8101 -1.496000 1.605000 
1 1 1  -37   15   20 o   9.6010   0.4906   8.8290   0.8875   10.370   0.4185 -1.542000 0.9812000 
1 1 1  -37   15   21 o   5.0320   0.6461   5.3650   0.9559   4.6990   0.8697 0.6662000 1.292000 
1 1 1  -37   15   22 o   6.1760   0.4839   6.0370   0.7105   6.3150   0.6572 -0.2777000 0.9678000 
1 1 1  -37   15   23 o   2.7990   0.7252   2.2900   0.9852   3.3070   1.0650 -1.017000 1.450000 
1 1 1  -37   15   24 o   2.6980   0.7746   2.5680   1.0350   2.8280   1.1530 -0.2595000 1.549000 
1 1 1  -37   15   25 o   4.1360   0.7194   4.4970   0.9647   3.7740   1.0670 0.7231000 1.439000 
1 1 1  -37   15   26 o   5.6310   0.5771   4.9050   0.9240   6.3580   0.6917 -1.452000 1.154000 
1 1 1  -37   15   27 o   2.7300   0.8015   2.6150   1.1150   2.8450   1.1520 -0.2296000 1.603000 
1 1 1  -37   17    1 o   6.7180   0.4411   5.9640   0.7000   7.4730   0.5368 -1.509000 0.8822000 
1 1 1  -37   17    2 o   19.050   0.2175   18.900   0.3103   19.210   0.3049 -0.3063000 0.4350000 
1 1 1  -37   17    3 o   3.8170   0.7127   4.1600   0.9869   3.4740   1.0280 0.6863000 1.425000 
1 1 1  -37   17    4 f   2.6560   0.7243   2.6320   1.0340   2.6800   1.0140 -0.4796000E-01 1.449000 
1 1 1  -37   17    5 o   14.960   0.2270   15.050   0.3235   14.860   0.3184 0.1916000 0.4539000 
1 1 1  -37   17    6 f   13.560   0.2378   13.430   0.3423   13.680   0.3303 -0.2583000 0.4757000 
1 1 1  -37   17    7 o   8.1590   0.3297   8.6510   0.4429   7.6660   0.4886 0.9845000 0.6595000 
1 1 1  -37   17    8 o   5.0910   0.6320   4.3790   1.0910   5.8030   0.6390 -1.424000 1.264000 
1 1 1  -37   17    9 f   10.140   0.3250   10.110   0.5152   10.170   0.3965 -0.6088000E-01 0.6501000 
1 1 1  -37   17   10 o   4.7640   0.6512   4.6980   1.0380   4.8290   0.7871 -0.1309000 1.302000 
1 1 1  -37   17   11 o   12.490   0.2960   12.840   0.4751   12.140   0.3533 0.7029000 0.5921000 
1 1 1  -37   17   12 o   11.390   0.3083   11.730   0.4979   11.060   0.3636 0.6725000 0.6165000 
1 1 1  -37   17   13 o   8.5710   0.3205   8.7090   0.4924   8.4330   0.4103 0.2757000 0.6409000 
1 1 1  -37   17   14 o   16.330   0.2710   16.330   0.4253   16.330   0.3361 0.2689000E-02 0.5421000 
1 1 1  -37   17   15 o   14.810   0.2850   15.060   0.4358   14.550   0.3673 0.5137000 0.5699000 
1 1 1  -37   17   16 o   10.210   0.2907   10.700   0.4300   9.7240   0.3913 0.9791000 0.5814000 
1 1 1  -37   17   17 o   20.470   0.2111   20.360   0.3228   20.580   0.2722 -0.2155000 0.4223000 
1 1 1  -37   17   18 o   6.0510   0.5133   5.2540   0.8205   6.8490   0.6171 -1.595000 1.027000 
1 1 1  -37   17   19 o   2.7820   0.6712   3.7650   1.0400   1.7990   0.8491 1.966000 1.342000 
1 1 1  -37   17   20 o   2.9140   0.8036   2.9960   1.2050   2.8320   1.0630 0.1640000 1.607000 
1 1 1  -37   17   21 o   5.9260   0.7937   5.0350   1.4640   6.8170   0.6139 -1.783000 1.587000 
1 1 1  -37   17   22 f   2.2050   0.6952   2.3620   1.0080   2.0480   0.9574 0.3141000 1.390000 
1 1 1  -37   17   23 o   7.1720   0.4499   6.3150   0.7155   8.0290   0.5457 -1.714000 0.8998000 
1 1 1  -37   17   24 o   5.4000   0.5988   5.0870   0.9000   5.7130   0.7901 -0.6261000 1.198000 
1 1 1  -37   17   25 o   3.5510   0.8553   2.9140   1.1770   4.1880   1.2420 -1.274000 1.711000 
1 1 1  -37   19    1 o   12.750   0.2525   12.740   0.3761   12.760   0.3371 -0.2655000E-01 0.5050000 
1 1 1  -37   19    2 o   2.2880   0.6819   2.2930   0.9781   2.2830   0.9503 0.9366000E-02 1.364000 
1 1 1  -37   19    3 o   9.4950   0.2965   9.3180   0.4258   9.6710   0.4128 -0.3533000 0.5930000 
1 1 1  -37   19    4 o   2.4420   0.6954   2.1890   0.9634   2.6940   1.0030 -0.5053000 1.391000 
1 1 1  -37   19    5 o   9.3890   0.3416   9.4180   0.4753   9.3600   0.4907 0.5762000E-01 0.6832000 
1 1 1  -37   19    6 o   4.7990   0.6343   4.6830   0.9098   4.9150   0.8840 -0.2319000 1.269000 
1 1 1  -37   19    7 o   8.9380   0.3496   8.7890   0.4916   9.0880   0.4972 -0.2998000 0.6992000 
1 1 1  -37   19    8 o   12.070   0.3230   12.600   0.4932   11.540   0.4174 1.057000 0.6461000 
1 1 1  -37   19    9 o   12.470   0.3189   12.130   0.5050   12.810   0.3896 -0.6853000 0.6378000 
1 1 1  -37   19   10 o   3.7860   0.7366   4.9180   1.0970   2.6550   0.9834 2.263000 1.473000 
1 1 1  -37   19   11 o   10.180   0.3072   9.9200   0.4848   10.440   0.3772 -0.5242000 0.6143000 
1 1 1  -37   19   12 o   7.5780   0.3964   7.6270   0.6176   7.5280   0.4971 0.9864000E-01 0.7928000 
1 1 1  -37   19   13 o   7.9610   0.3630   7.9070   0.5667   8.0160   0.4537 -0.1087000 0.7259000 
1 1 1  -37   19   14 o   8.6250   0.3414   8.5020   0.5317   8.7490   0.4285 -0.2470000 0.6829000 
1 1 1  -37   19   15 o   7.9850   0.3649   8.4360   0.5302   7.5350   0.5016 0.9015000 0.7299000 
1 1 1  -37   19   16 o   9.1120   0.3337   9.6240   0.4826   8.6010   0.4610 1.023000 0.6674000 
1 1 1  -37   19   17 o   8.0070   0.3657   8.1370   0.5426   7.8770   0.4903 0.2600000 0.7313000 
1 1 1  -37   19   18 o   6.1130   0.4787   5.5490   0.7839   6.6770   0.5495 -1.128000 0.9573000 
1 1 1  -37   19   19 o   2.3220   0.6931   2.0250   0.9213   2.6200   1.0360 -0.5951000 1.386000 
1 1 1  -37   19   20 o   3.2740   0.7690   3.4470   1.0940   3.1020   1.0810 0.3454000 1.538000 
1 1 1  -37   19   21 o   7.7760   0.6374   7.1540   1.1540   8.3970   0.5419 -1.243000 1.275000 
1 1 1  -37   19   22 o   5.6300   0.8423   4.1340   1.4640   7.1260   0.8340 -2.992000 1.685000 
1 1 1  -37   19   23 o   1.9810   0.6689   1.7200   0.8486   2.2430   1.0340 -0.5232000 1.338000 
1 1 1  -37   19   24 f   2.4980   1.1290   2.4980   1.1290  ?   ?       ?      ? 
1 1 1  -37   21    1 o   4.2900   0.6864   4.3960   0.9884   4.1830   0.9527 0.2135000 1.373000 
1 1 1  -37   21    2 o   2.5470   0.7087   2.1530   0.9639   2.9400   1.0390 -0.7869000 1.417000 
1 1 1  -37   21    3 o   2.4740   0.6954   2.7740   1.0270   2.1740   0.9383 0.6000000 1.391000 
1 1 1  -37   21    4 o   2.0810   0.6476   2.1680   0.9364   1.9940   0.8949 0.1747000 1.295000 
1 1 1  -37   21    5 o   2.3710   0.6588   2.8800   1.0010   1.8620   0.8566 1.018000 1.318000 
1 1 1  -37   21    6 o   7.6240   0.3578   7.4450   0.5101   7.8030   0.5020 -0.3577000 0.7157000 
1 1 1  -37   21    7 o   11.640   0.2671   12.000   0.3849   11.280   0.3705 0.7199000 0.5343000 
1 1 1  -37   21    8 o   5.6450   0.5238   5.8250   0.7706   5.4640   0.7097 0.3606000 1.048000 
1 1 1  -37   21    9 o   12.610   0.2671   12.150   0.4131   13.060   0.3388 -0.9127000 0.5343000 
1 1 1  -37   21   10 o   9.1520   0.3298   9.3130   0.4935   8.9910   0.4376 0.3222000 0.6596000 
1 1 1  -37   21   11 o   6.8130   0.4333   7.3960   0.6171   6.2300   0.6085 1.166000 0.8667000 
1 1 1  -37   21   12 o   7.3910   0.3974   7.5610   0.6030   7.2200   0.5179 0.3406000 0.7949000 
1 1 1  -37   21   13 o   9.8300   0.3152   10.270   0.4707   9.3850   0.4193 0.8896000 0.6303000 
1 1 1  -37   21   14 o   7.5620   0.3913   7.6110   0.5921   7.5140   0.5117 0.9678000E-01 0.7826000 
1 1 1  -37   21   15 o   6.3470   0.4820   6.4250   0.6835   6.2690   0.6799 0.1560000 0.9641000 
1 1 1  -37   21   16 o   5.1270   0.6208   5.8320   0.7686   4.4230   0.9751 1.409000 1.242000 
1 1 1  -37   21   17 o   3.0850   0.7434   3.7180   1.0780   2.4510   1.0240 1.267000 1.487000 
1 1 1  -37   21   18 o   4.9190   0.6071   5.2980   0.8559   4.5410   0.8612 0.7572000 1.214000 
1 1 1  -37   21   19 o   2.7900   0.7948   2.7900   1.1440   2.7890   1.1040 0.1278000E-02 1.590000 
1 1 1  -37   21   20 o   3.0860   0.7759   2.4090   1.0680   3.7620   1.1260 -1.353000 1.552000 
1 1 1  -37   21   21 o   2.7580   0.7276   3.4510   1.1280   2.0640   0.9198 1.388000 1.455000 
1 1 1  -37   23    1 o   7.7120   0.4200   7.1620   0.6627   8.2620   0.5161 -1.100000 0.8399000 
1 1 1  -37   23    2 o   4.9870   0.6394   4.9320   0.9847   5.0420   0.8160 -0.1097000 1.279000 
1 1 1  -37   23    3 o   3.3650   0.7229   4.0980   1.0150   2.6320   1.0300 1.467000 1.446000 
1 1 1  -37   23    4 o   9.4280   0.3787   9.5660   0.5292   9.2910   0.5419 0.2748000 0.7574000 
1 1 1  -37   23    5 o   10.370   0.3431   10.330   0.4883   10.410   0.4821 -0.8459000E-01 0.6862000 
1 1 1  -37   23    6 o   5.2240   0.6379   5.5870   0.8516   4.8600   0.9500 0.7269000 1.276000 
1 1 1  -37   23    7 o   5.5600   0.5985   6.1560   0.7614   4.9630   0.9235 1.193000 1.197000 
1 1 1  -37   23    8 o   2.8590   0.7550   3.4120   1.1330   2.3060   0.9981 1.106000 1.510000 
1 1 1  -37   23    9 f   3.5260   0.6647   4.9950   0.9432   2.0570   0.9369 2.938000 1.329000 
1 1 1  -37   23   10 o   4.8580   0.6728   4.4420   1.0440   5.2750   0.8494 -0.8331000 1.346000 
1 1 1  -37   23   11 o   2.1200   0.6657   2.0420   0.9418   2.1990   0.9411 -0.1569000 1.331000 
1 1 1  -37   23   12 o   3.7850   0.7372   3.4490   1.1350   4.1200   0.9410 -0.6710000 1.474000 
1 1 1  -37   23   13 o   2.8970   0.7910   3.3940   1.2050   2.4000   1.0250 0.9938000 1.582000 
1 1 1  -37   23   14 o   5.3770   0.6718   5.4530   1.0180   5.3010   0.8771 0.1516000 1.344000 
1 1 1  -37   23   15 o   1.9110   0.6437   2.1760   1.0060   1.6460   0.8037 0.5292000 1.287000 
1 1 1  -37   23   16 o   4.1460   0.7189   3.7830   1.1210   4.5090   0.9009 -0.7258000 1.438000 
1 1 1  -37   23   17 o   2.8080   0.7501   2.6730   1.0780   2.9440   1.0430 -0.2711000 1.500000 
1 1 1  -37   23   18 o   8.9960   0.3656   9.1090   0.5355   8.8840   0.4980 0.2254000 0.7313000 
1 1 1  -37   25    1 o   4.4840   0.7064   4.1960   1.0910   4.7730   0.8984 -0.5763000 1.413000 
1 1 1  -37   25    2 o   2.8640   0.7371   2.2610   1.0160   3.4670   1.0680 -1.206000 1.474000 
1 1 1  -37   25    3 o   5.0600   0.6190   5.2980   0.8530   4.8210   0.8972 0.4769000 1.238000 
1 1 1  -37   25    4 o   2.1670   0.6770   2.1310   0.9501   2.2040   0.9648 -0.7293000E-01 1.354000 
1 1 1  -37   25    5 o   2.5720   0.7210   2.8120   1.0490   2.3320   0.9896 0.4796000 1.442000 
1 1 1  -37   25    6 o   2.9980   0.7527   3.2470   1.0820   2.7490   1.0470 0.4976000 1.505000 
1 1 1  -37   25    7 o   3.8860   0.6960   3.1080   1.0740   4.6630   0.8861 -1.555000 1.392000 
1 1 1  -37   25    8 o   3.6530   0.7668   4.1950   1.1030   3.1100   1.0650 1.085000 1.534000 
1 1 1  -37   25    9 o   6.6140   0.4966   6.2460   0.7990   6.9830   0.5901 -0.7374000 0.9933000 
1 1 1  -37   25   10 o   2.6080   0.7017   1.9720   0.9255   3.2440   1.0550 -1.271000 1.403000 
1 1 1  -37   25   11 o   3.0750   0.7486   2.6550   1.0900   3.4960   1.0260 -0.8416000 1.497000 
1 1 1  -37   25   12 o   2.7420   0.6581   1.7440   0.8448   3.7410   1.0090 -1.997000 1.316000 
1 1 1  -37   25   13 o   2.4320   0.7144   2.2060   0.9968   2.6580   1.0240 -0.4511000 1.429000 
1 1 1  -37   25   14 o   1.8970   0.6219   2.2890   1.0020   1.5050   0.7372 0.7840000 1.244000 
1 1 1  -37   27    1 o   4.2830   0.7190   5.7990   0.8992   2.7670   1.1220 3.032000 1.438000 
1 1 1  -37   27    2 o   1.9620   0.6494   1.9140   0.9149   2.0110   0.9220 -0.9656000E-01 1.299000 
1 1 1  -37   27    3 o   2.9350   0.7692   2.6880   1.0800   3.1830   1.0960 -0.4956000 1.538000 
1 1 1  -37   27    4 o   3.8380   0.7219   2.9620   1.1020   4.7140   0.9323 -1.752000 1.444000 
1 1 1  -37   27    5 o   2.3380   0.7026   2.6450   1.0550   2.0310   0.9286 0.6137000 1.405000 
1 1 1  -36    0    1 o   3.3710   0.9895   3.3710   0.9895   3.3710   0.9895 -0.000000 0.000000 
1 1 1  -36    0    2 o   17.200   0.3304   17.200   0.3304   17.200   0.3304 -0.000000 0.000000 
1 1 1  -36    0    3 o   10.350   0.2427   10.350   0.2427   10.350   0.2427 -0.000000 0.000000 
1 1 1  -36    0    4 o   3.2760   0.4977   3.2760   0.4977   3.2760   0.4977 -0.000000 0.000000 
1 1 1  -36    0    5 o   16.120   0.1662   16.120   0.1662   16.120   0.1662 -0.000000 0.000000 
1 1 1  -36    0    6 o   5.8440   0.2846   5.8440   0.2846   5.8440   0.2846 -0.000000 0.000000 
1 1 1  -36    0    7 o   15.030   0.1881   15.030   0.1881   15.030   0.1881 -0.000000 0.000000 
1 1 1  -36    0    8 o   7.8040   0.1724   7.8040   0.1724   7.8040   0.1724 -0.000000 0.000000 
1 1 1  -36    0    9 o   11.380   0.2113   11.380   0.2113   11.380   0.2113 -0.000000 0.000000 
1 1 1  -36    0   11 o   16.540   0.2395   16.540   0.2395   16.540   0.2395 -0.000000 0.000000 
1 1 1  -36    0   12 o   45.900   0.4714   45.900   0.4714   45.900   0.4714 -0.000000 0.000000 
1 1 1  -36    0   13 o   26.050   0.2490   26.050   0.2490   26.050   0.2490 -0.000000 0.000000 
1 1 1  -36    0   14 o   3.8380   0.5785   3.8380   0.5785   3.8380   0.5785 -0.000000 0.000000 
1 1 1  -36    0   15 o   14.650   0.2921   14.650   0.2921   14.650   0.2921 -0.000000 0.000000 
1 1 1  -36    0   16 o   2.2020   0.9878   2.2020   0.9878   2.2020   0.9878 -0.000000 0.000000 
1 1 1  -36    0   17 o   13.270   0.2309   13.270   0.2309   13.270   0.2309 -0.000000 0.000000 
1 1 1  -36    0   18 o   10.660   0.2726   10.660   0.2726   10.660   0.2726 -0.000000 0.000000 
1 1 1  -36    0   19 o   23.900   0.2295   23.900   0.2295   23.900   0.2295 -0.000000 0.000000 
1 1 1  -36    0   20 f   4.9570   0.5626   4.9570   0.5626   4.9570   0.5626 -0.000000 0.000000 
1 1 1  -36    0   21 o   6.0280   0.4637   6.0280   0.4637   6.0280   0.4637 -0.000000 0.000000 
1 1 1  -36    0   22 o   6.8170   0.4215   6.8170   0.4215   6.8170   0.4215 -0.000000 0.000000 
1 1 1  -36    0   23 o   2.9670   1.2750   2.9670   1.2750   2.9670   1.2750 -0.000000 0.000000 
1 1 1  -36    0   24 o   2.7910   1.0880   2.7910   1.0880   2.7910   1.0880 -0.000000 0.000000 
1 1 1  -36    0   25 o   3.1580   1.0620   3.1580   1.0620   3.1580   1.0620 -0.000000 0.000000 
1 1 1  -36    0   26 o   13.870   0.2842   13.870   0.2842   13.870   0.2842 -0.000000 0.000000 
1 1 1  -36    0   27 o   13.890   0.3513   13.890   0.3513   13.890   0.3513 -0.000000 0.000000 
1 1 1  -36    0   28 o   6.8570   0.5693   6.8570   0.5693   6.8570   0.5693 -0.000000 0.000000 
1 1 1  -36    0   29 o   5.7120   0.6132   5.7120   0.6132   5.7120   0.6132 -0.000000 0.000000 
1 1 1  -36    0   30 o   3.2850   1.1470   3.2850   1.1470   3.2850   1.1470 -0.000000 0.000000 
1 1 1  -36    0   31 o   1.5670   1.0240   1.5670   1.0240   1.5670   1.0240 -0.000000 0.000000 
1 1 1  -36    0   32 o   5.0560   0.8987   5.0560   0.8987   5.0560   0.8987 -0.000000 0.000000 
1 1 1  -36    2    1 f   30.540   0.2158   30.350   0.3335   30.720   0.2740 -0.3720000 0.4316000 
1 1 1  -36    2    2 o   6.3010   0.2422   6.2190   0.3580   6.3840   0.3263 -0.1656000 0.4844000 
1 1 1  -36    2    3 o   10.590   0.2268  ?   ?    10.590   0.2268      ?      ? 
1 1 1  -36    2    4 o   37.120   0.3120   37.670   0.5619   36.580   0.2712 1.091000 0.6239000 
1 1 1  -36    2    5 f   7.7340   0.3524   7.4040   0.5050   8.0640   0.4917 -0.6602000 0.7048000 
1 1 1  -36    2    6 o   30.240   0.4678  ?   ?    30.240   0.4678      ?      ? 
1 1 1  -36    2    7 o   25.460   0.2551   24.960   0.2877   25.960   0.4215 -1.007000 0.5103000 
1 1 1  -36    2    8 o   65.980   0.4701   66.300   0.6680   65.670   0.6616 0.6312000 0.9402000 
1 1 1  -36    2    9 o   21.860   0.1859   21.790   0.2581   21.940   0.2676 -0.1484000 0.3718000 
1 1 1  -36    2   10 o   13.530   0.1575   13.620   0.1858   13.440   0.2543 0.1861000 0.3149000 
1 1 1  -36    2   11 o   22.540   0.1951   22.870   0.2740   22.210   0.2778 0.6614000 0.3902000 
1 1 1  -36    2   12 o   44.070   0.2637   43.470   0.3691   44.660   0.3768 -1.190000 0.5275000 
1 1 1  -36    2   13 o   20.140   0.1748   20.180   0.2693   20.110   0.2229 0.6753000E-01 0.3496000 
1 1 1  -36    2   14 o   22.220   0.2014   22.420   0.2874   22.030   0.2823 0.3980000 0.4029000 
1 1 1  -36    2   15 o   19.780   0.1883   19.360   0.2354   20.200   0.2939 -0.8460000 0.3765000 
1 1 1  -36    2   16 o   21.350   0.1613   21.360   0.2119   21.350   0.2432 0.1225000E-01 0.3225000 
1 1 1  -36    2   17 o   8.1350   0.2431   8.4890   0.3122   7.7810   0.3729 0.7082000 0.4863000 
1 1 1  -36    2   18 o   8.0300   0.2522   7.8970   0.3445   8.1630   0.3685 -0.2668000 0.5045000 
1 1 1  -36    2   19 o   31.440   0.2000   31.240   0.2611   31.640   0.3029 -0.3960000 0.4000000 
1 1 1  -36    2   20 o   11.780   0.2028   11.720   0.2731   11.830   0.2999 -0.1105000 0.4056000 
1 1 1  -36    2   21 o   6.2060   0.3398   6.0140   0.4746   6.3980   0.4863 -0.3846000 0.6795000 
1 1 1  -36    2   22 o   13.300   0.2370   13.290   0.3045   13.310   0.3633 -0.2391000E-01 0.4740000 
1 1 1  -36    2   23 o   17.320   0.2240   17.460   0.2846   17.180   0.3460 0.2816000 0.4480000 
1 1 1  -36    2   24 o   13.980   0.2034   14.210   0.2697   13.740   0.3044 0.4733000 0.4067000 
1 1 1  -36    2   25 o   9.3380   0.2685   9.6280   0.3523   9.0480   0.4052 0.5794000 0.5369000 
1 1 1  -36    2   26 o   15.490   0.2044   15.430   0.2754   15.550   0.3020 -0.1271000 0.4087000 
1 1 1  -36    2   27 o   3.5000   0.7440   3.5400   1.0440   3.4600   1.0600 0.7953000E-01 1.488000 
1 1 1  -36    2   28 o   8.7130   0.3822   9.0430   0.4504   8.3830   0.6176 0.6599000 0.7644000 
1 1 1  -36    2   29 o   14.980   0.2255   15.140   0.2947   14.820   0.3414 0.3228000 0.4510000 
1 1 1  -36    2   30 o   5.6630   0.4733   5.3250   0.6832   6.0020   0.6553 -0.6777000 0.9467000 
1 1 1  -36    2   31 o   4.8730   0.5687   4.9550   0.7517   4.7910   0.8536 0.1642000 1.137000 
1 1 1  -36    2   32 o   3.6800   0.7205   3.8720   0.9649   3.4870   1.0700 0.3850000 1.441000 
1 1 1  -36    4    1 o   19.470   0.1523   19.380   0.2139   19.550   0.2168 -0.1712000 0.3046000 
1 1 1  -36    4    2 o   31.000   0.2225   31.150   0.3435   30.850   0.2829 0.3055000 0.4450000 
1 1 1  -36    4    3 o   21.030   0.1613   20.790   0.2617   21.270   0.1886 -0.4792000 0.3225000 
1 1 1  -36    4    4 o   13.730   0.2305   13.750   0.4343   13.700   0.1543 0.4799000E-01 0.4609000 
1 1 1  -36    4    5 f   39.610   0.3639   39.130   0.5908   40.090   0.4251 -0.9580000 0.7278000 
1 1 1  -36    4    6 o   11.510   0.2246   11.350   0.3206   11.660   0.3147 -0.3141000 0.4493000 
1 1 1  -36    4    7 o   28.680   0.2337   28.880   0.3327   28.470   0.3282 0.4184000 0.4673000 
1 1 1  -36    4    8 o   25.980   0.2202   25.660   0.3101   26.290   0.3127 -0.6291000 0.4404000 
1 1 1  -36    4    9 o   55.520   0.3477   55.300   0.3976   55.740   0.5705 -0.4313000 0.6954000 
1 1 1  -36    4   10 o   16.690   0.1357   16.960   0.1773   16.430   0.2056 0.5237000 0.2715000 
1 1 1  -36    4   11 o   6.4330   0.2993   6.1800   0.4563   6.6870   0.3874 -0.5070000 0.5986000 
1 1 1  -36    4   12 o   7.4450   0.2567   7.3250   0.3574   7.5660   0.3686 -0.2407000 0.5134000 
1 1 1  -36    4   13 o   28.680   0.1791   28.550   0.2331   28.820   0.2721 -0.2680000 0.3583000 
1 1 1  -36    4   14 o   16.760   0.1966   16.440   0.2808   17.090   0.2751 -0.6478000 0.3931000 
1 1 1  -36    4   15 o   22.800   0.2709   22.800   0.4402   22.800   0.3160 -0.2295000E-02 0.5418000 
1 1 1  -36    4   16 o   15.130   0.1806   15.160   0.2589   15.090   0.2518 0.7447000E-01 0.3611000 
1 1 1  -36    4   17 o   20.110   0.1775   20.110   0.2525   20.120   0.2496 -0.1455000E-01 0.3551000 
1 1 1  -36    4   18 o   15.050   0.1755   14.780   0.2349   15.320   0.2609 -0.5392000 0.3510000 
1 1 1  -36    4   19 o   26.920   0.1847   26.940   0.2436   26.890   0.2777 0.5386000E-01 0.3694000 
1 1 1  -36    4   20 o   25.900   0.1842   25.780   0.2426   26.010   0.2771 -0.2285000 0.3683000 
1 1 1  -36    4   21 o   15.030   0.1967   15.200   0.2756   14.860   0.2807 0.3408000 0.3933000 
1 1 1  -36    4   22 o   4.9940   0.5498   5.3640   0.6409   4.6240   0.8936 0.7399000 1.100000 
1 1 1  -36    4   23 o   13.680   0.2142   13.860   0.3082   13.500   0.2975 0.3629000 0.4284000 
1 1 1  -36    4   24 o   25.450   0.1940   25.410   0.2564   25.490   0.2911 -0.8418000E-01 0.3879000 
1 1 1  -36    4   25 o   13.110   0.2387   13.050   0.2911   13.180   0.3783 -0.1397000 0.4773000 
1 1 1  -36    4   26 o   12.950   0.2624   13.060   0.3529   12.850   0.3885 0.2052000 0.5249000 
1 1 1  -36    4   27 o   21.290   0.1977   21.510   0.2613   21.060   0.2968 0.4536000 0.3955000 
1 1 1  -36    4   28 o   14.750   0.2719   14.880   0.3360   14.620   0.4275 0.2558000 0.5438000 
1 1 1  -36    4   29 o   6.4230   0.4203   6.5620   0.5607   6.2830   0.6263 0.2790000 0.8406000 
1 1 1  -36    4   30 o   15.850   0.2241   15.690   0.3030   16.020   0.3303 -0.3312000 0.4482000 
1 1 1  -36    4   31 o   8.0450   0.3551   8.1410   0.4814   7.9490   0.5221 0.1921000 0.7102000 
1 1 1  -36    4   32 o   6.1970   0.4608   6.2780   0.6252   6.1160   0.6772 0.1617000 0.9217000 
1 1 1  -36    6    1 o   22.810   0.1973   22.220   0.2993   23.390   0.2572 -1.164000 0.3946000 
1 1 1  -36    6    2 o   19.100   0.1495   19.390   0.2212   18.810   0.2011 0.5812000 0.2989000 
1 1 1  -36    6    3 o   32.930   0.2576   32.930   0.3644   32.920   0.3642 0.7256000E-02 0.5152000 
1 1 1  -36    6    4 f   5.4450   0.3225   5.4680   0.3689   5.4230   0.5292 0.4519000E-01 0.6451000 
1 1 1  -36    6    5 o   26.060   0.2810   25.200   0.2961   26.920   0.4776 -1.722000 0.5620000 
1 1 1  -36    6    6 o   23.280   0.2618   24.420   0.2928   22.150   0.4341 2.267000 0.5236000 
1 1 1  -36    6    7 o   9.4310   0.3451   10.120   0.3002   8.7450   0.6215 1.371000 0.6902000 
1 1 1  -36    6    8 o   12.570   0.2089  ?   ?    12.570   0.2089      ?      ? 
1 1 1  -36    6    9 o   53.240   0.3881   52.600   0.5466   53.880   0.5510 -1.287000 0.7761000 
1 1 1  -36    6   10 o   37.320   0.2631   37.050   0.4086   37.590   0.3317 -0.5397000 0.5263000 
1 1 1  -36    6   11 o   38.210   0.2220   37.980   0.2879   38.440   0.3381 -0.4547000 0.4440000 
1 1 1  -36    6   12 o   28.740   0.1824   28.970   0.2390   28.500   0.2757 0.4754000 0.3649000 
1 1 1  -36    6   13 o   14.220   0.1667   14.390   0.2186   14.050   0.2518 0.3368000 0.3334000 
1 1 1  -36    6   14 o   8.7170   0.2318   8.7060   0.3047   8.7280   0.3493 -0.2145000E-01 0.4635000 
1 1 1  -36    6   15 o   23.340   0.2134   23.080   0.2709   23.600   0.3299 -0.5205000 0.4269000 
1 1 1  -36    6   16 o   9.5470   0.2749   9.5360   0.4368   9.5590   0.3339 -0.2286000E-01 0.5497000 
1 1 1  -36    6   17 o   12.320   0.2297   12.540   0.3560   12.100   0.2905 0.4399000 0.4595000 
1 1 1  -36    6   18 o   23.620   0.1784   23.660   0.2352   23.570   0.2682 0.8123000E-01 0.3567000 
1 1 1  -36    6   19 f   17.060   0.1772   16.960   0.2368   17.160   0.2637 -0.2043000 0.3544000 
1 1 1  -36    6   20 o   12.660   0.2412   12.470   0.3102   12.850   0.3694 -0.3826000 0.4823000 
1 1 1  -36    6   21 o   21.420   0.1833   21.290   0.2400   21.540   0.2771 -0.2526000 0.3666000 
1 1 1  -36    6   22 o   21.420   0.1836   21.230   0.2434   21.620   0.2750 -0.3871000 0.3672000 
1 1 1  -36    6   23 o   9.1090   0.2857   9.0340   0.4134   9.1850   0.3943 -0.1513000 0.5713000 
1 1 1  -36    6   24 o   13.860   0.2104   14.380   0.2788   13.350   0.3151 1.028000 0.4207000 
1 1 1  -36    6   25 o   16.340   0.2357   15.920   0.3204   16.760   0.3457 -0.8400000 0.4713000 
1 1 1  -36    6   26 o   21.200   0.1969   21.010   0.2601   21.390   0.2957 -0.3801000 0.3938000 
1 1 1  -36    6   27 o   24.890   0.2042   24.830   0.2683   24.940   0.3078 -0.1107000 0.4083000 
1 1 1  -36    6   28 o   9.9320   0.3417   9.6640   0.4362   10.200   0.5261 -0.5370000 0.6834000 
1 1 1  -36    6   29 o   4.2950   0.6227   4.8590   0.7317   3.7320   1.0080 1.127000 1.245000 
1 1 1  -36    6   30 o   6.2070   0.4457   5.9030   0.6314   6.5110   0.6292 -0.6082000 0.8914000 
1 1 1  -36    6   31 o   2.0810   0.6476   1.8850   0.8544   2.2770   0.9734 -0.3918000 1.295000 
1 1 1  -36    8    1 f   11.030   0.1985   11.150   0.2818   10.910   0.2797 0.2372000 0.3970000 
1 1 1  -36    8    2 o   17.610   0.2156   16.780   0.2367   18.430   0.3605 -1.649000 0.4313000 
1 1 1  -36    8    3 o   27.200   0.2240   27.300   0.2660   27.100   0.3604 0.1990000 0.4480000 
1 1 1  -36    8    4 o   6.3860   0.4063   6.2770   0.4142   6.4940   0.6991 -0.2166000 0.8125000 
1 1 1  -36    8    5 o   17.920   0.1990   18.130   0.2048   17.710   0.3413 0.4237000 0.3980000 
1 1 1  -36    8    6 o   13.950   0.2125   13.600   0.3678   14.300   0.2128 -0.7024000 0.4249000 
1 1 1  -36    8    7 o   13.190   0.1712   12.950   0.2649   13.430   0.2168 -0.4801000 0.3423000 
1 1 1  -36    8    8 o   19.910   0.1948   19.580   0.3278   20.250   0.2105 -0.6655000 0.3896000 
1 1 1  -36    8    9 o   4.9590   0.4070   5.1380   0.6038   4.7800   0.5459 0.3582000 0.8140000 
1 1 1  -36    8   10 f   23.160   0.1710   23.420   0.2617   22.900   0.2203 0.5131000 0.3421000 
1 1 1  -36    8   11 o   30.310   0.1943   30.160   0.2952   30.470   0.2527 -0.3112000 0.3886000 
1 1 1  -36    8   12 o   12.640   0.2086   12.530   0.3015   12.760   0.2884 -0.2379000 0.4172000 
1 1 1  -36    8   13 o   13.630   0.2329   13.950   0.2887   13.310   0.3655 0.6371000 0.4658000 
1 1 1  -36    8   14 o   19.780   0.2122   19.550   0.2701   20.020   0.3273 -0.4680000 0.4244000 
1 1 1  -36    8   15 o   4.0770   0.5740   3.8730   0.8773   4.2810   0.7405 -0.4078000 1.148000 
1 1 1  -36    8   16 o   2.9940   0.6670   3.4190   0.9534   2.5690   0.9329 0.8496000 1.334000 
1 1 1  -36    8   17 o   9.7230   0.2827   10.280   0.4190   9.1610   0.3797 1.124000 0.5654000 
1 1 1  -36    8   18 o   9.9490   0.3275   10.760   0.4436   9.1430   0.4818 1.613000 0.6549000 
1 1 1  -36    8   19 o   18.350   0.2233   18.620   0.2831   18.070   0.3454 0.5510000 0.4466000 
1 1 1  -36    8   20 o   15.090   0.1949   14.950   0.2592   15.240   0.2910 -0.2877000 0.3897000 
1 1 1  -36    8   21 o   17.990   0.1861   17.960   0.2462   18.030   0.2792 -0.6229000E-01 0.3723000 
1 1 1  -36    8   22 o   11.240   0.2307   11.450   0.3062   11.040   0.3451 0.4047000 0.4614000 
1 1 1  -36    8   23 o   16.260   0.2112   16.210   0.3030   16.310   0.2944 -0.1032000 0.4224000 
1 1 1  -36    8   24 o   24.430   0.2307   24.390   0.3024   24.480   0.3485 -0.8901000E-01 0.4615000 
1 1 1  -36    8   25 o   9.4740   0.2756   9.6180   0.3702   9.3310   0.4084 0.2875000 0.5513000 
1 1 1  -36    8   26 o   19.210   0.2001   19.270   0.2681   19.160   0.2972 0.1029000 0.4003000 
1 1 1  -36    8   27 o   4.7510   0.6432   4.8480   0.8034   4.6550   1.0050 0.1930000 1.286000 
1 1 1  -36    8   28 o   3.2020   0.7102   3.1750   0.9778   3.2280   1.0300 -0.5264000E-01 1.420000 
1 1 1  -36    8   29 o   11.190   0.2645   11.260   0.3543   11.120   0.3928 0.1446000 0.5290000 
1 1 1  -36    8   30 f   2.4080   0.6711   1.9190   0.8612   2.8960   1.0300 -0.9767000 1.342000 
1 1 1  -36    8   31 o   4.2700   0.6508   4.4770   0.8565   4.0620   0.9800 0.4152000 1.302000 
1 1 1  -36   10    1 o   25.050   0.2586   25.370   0.3502   24.720   0.3807 0.6511000 0.5173000 
1 1 1  -36   10    2 o   19.320   0.3264   19.320   0.3264  ?   ?       ?      ? 
1 1 1  -36   10    3 o   28.400   0.2066   28.560   0.2855   28.240   0.2987 0.3180000 0.4132000 
1 1 1  -36   10    4 o   17.420   0.1690   16.950   0.2254   17.900   0.2517 -0.9560000 0.3379000 
1 1 1  -36   10    5 o   19.660   0.1579   19.650   0.2221   19.660   0.2243 -0.1198000E-01 0.3157000 
1 1 1  -36   10    6 o   15.450   0.1889   15.120   0.2806   15.790   0.2528 -0.6716000 0.3777000 
1 1 1  -36   10    7 o   9.3140   0.2404   9.4240   0.3618   9.2050   0.3167 0.2185000 0.4808000 
1 1 1  -36   10    8 o   28.510   0.1914   28.830   0.2924   28.190   0.2471 0.6419000 0.3828000 
1 1 1  -36   10    9 o   6.0630   0.4062   4.8150   0.7131   7.3110   0.3891 -2.495000 0.8123000 
1 1 1  -36   10   10 o   18.640   0.1809   18.470   0.2771   18.820   0.2325 -0.3486000 0.3617000 
1 1 1  -36   10   11 o   17.270   0.1955   17.340   0.2785   17.200   0.2744 0.1422000 0.3910000 
1 1 1  -36   10   12 o   16.640   0.1964   16.300   0.2837   16.990   0.2716 -0.6821000 0.3927000 
1 1 1  -36   10   13 o   30.960   0.2187   30.930   0.3106   30.990   0.3078 -0.6845000E-01 0.4373000 
1 1 1  -36   10   14 o   12.440   0.2298   12.110   0.3383   12.770   0.3110 -0.6574000 0.4595000 
1 1 1  -36   10   15 o   23.110   0.1980   22.950   0.2825   23.260   0.2776 -0.3168000 0.3961000 
1 1 1  -36   10   16 o   11.230   0.3014   12.090   0.4053   10.380   0.4463 1.714000 0.6029000 
1 1 1  -36   10   17 o   16.250   0.2544   16.640   0.3602   15.870   0.3594 0.7629000 0.5088000 
1 1 1  -36   10   18 o   8.0050   0.3747   8.1140   0.5873   7.8960   0.4655 0.2173000 0.7494000 
1 1 1  -36   10   19 o   23.820   0.2943   23.900   0.5125   23.730   0.2896 0.1630000 0.5887000 
1 1 1  -36   10   20 f   17.290   0.2316   17.280   0.3608   17.300   0.2906 -0.1962000E-01 0.4632000 
1 1 1  -36   10   21 o   17.130   0.1939   17.140   0.2547   17.130   0.2923 0.7029000E-02 0.3877000 
1 1 1  -36   10   22 o   7.3260   0.4346   7.0240   0.6749   7.6290   0.5477 -0.6053000 0.8692000 
1 1 1  -36   10   23 o   16.780   0.2391   17.160   0.3237   16.400   0.3520 0.7612000 0.4782000 
1 1 1  -36   10   24 o   5.5870   0.4683   6.3610   0.5411   4.8130   0.7645 1.548000 0.9366000 
1 1 1  -36   10   25 o   2.9630   0.7014   2.6010   0.9760   3.3260   1.0080 -0.7255000 1.403000 
1 1 1  -36   10   26 o   2.6420   0.6818   3.3100   1.0020   1.9750   0.9250 1.336000 1.364000 
1 1 1  -36   10   27 o   2.9780   0.7303   3.6200   1.0380   2.3350   1.0280 1.286000 1.461000 
1 1 1  -36   10   28 o   10.120   0.2937   9.9720   0.4028   10.260   0.4275 -0.2918000 0.5873000 
1 1 1  -36   10   29 o   7.1290   0.3854   6.9840   0.5385   7.2750   0.5516 -0.2915000 0.7708000 
1 1 1  -36   10   30 o   2.6740   0.7086   2.2810   0.9494   3.0680   1.0520 -0.7870000 1.417000 
1 1 1  -36   12    1 o   7.7440   0.3140   7.6410   0.4691   7.8470   0.4176 -0.2056000 0.6281000 
1 1 1  -36   12    2 o   16.900   0.2225   16.990   0.3658   16.820   0.2533 0.1633000 0.4449000 
1 1 1  -36   12    3 o   30.280   0.2028   30.240   0.3043   30.330   0.2683 -0.9278000E-01 0.4057000 
1 1 1  -36   12    4 o   16.780   0.1739   16.700   0.2435   16.850   0.2484 -0.1493000 0.3478000 
1 1 1  -36   12    5 o   6.2160   0.3520   5.7890   0.5259   6.6430   0.4681 -0.8538000 0.7040000 
1 1 1  -36   12    6 f   12.250   0.1971   12.320   0.2732   12.180   0.2843 0.1466000 0.3943000 
1 1 1  -36   12    7 o   12.320   0.2170   11.870   0.3337   12.770   0.2776 -0.8929000 0.4341000 
1 1 1  -36   12    8 o   10.590   0.2429   10.290   0.3785   10.900   0.3047 -0.6069000 0.4859000 
1 1 1  -36   12    9 f   20.690   0.1853   20.740   0.2824   20.630   0.2401 0.1120000 0.3707000 
1 1 1  -36   12   10 o   24.730   0.1896   24.740   0.2908   24.710   0.2434 0.2845000E-01 0.3792000 
1 1 1  -36   12   11 o   3.1730   0.6560   2.7500   1.0200   3.5970   0.8246 -0.8473000 1.312000 
1 1 1  -36   12   12 o   13.840   0.2452   13.880   0.3774   13.790   0.3131 0.8917000E-01 0.4904000 
1 1 1  -36   12   13 o   8.6010   0.3361   9.0530   0.5079   8.1500   0.4404 0.9027000 0.6723000 
1 1 1  -36   12   14 o   29.000   0.2036   29.180   0.3123   28.830   0.2614 0.3493000 0.4072000 
1 1 1  -36   12   15 o   8.0430   0.3402   8.3030   0.4778   7.7830   0.4846 0.5202000 0.6805000 
1 1 1  -36   12   16 o   17.820   0.2107   17.890   0.3036   17.750   0.2921 0.1316000 0.4213000 
1 1 1  -36   12   17 o   4.7780   0.5586   4.2740   0.8865   5.2810   0.6799 -1.007000 1.117000 
1 1 1  -36   12   18 o   10.570   0.2722   10.660   0.3962   10.480   0.3734 0.1815000 0.5444000 
1 1 1  -36   12   19 o   27.360   0.2455   26.840   0.3813   27.870   0.3094 -1.032000 0.4911000 
1 1 1  -36   12   20 o   9.8300   0.4750  ?   ?    9.8300   0.4750      ?      ? 
1 1 1  -36   12   21 o   7.8430   0.5604  ?   ?    7.8430   0.5604      ?      ? 
1 1 1  -36   12   22 o   10.470   0.2842   10.450   0.4109   10.480   0.3928 -0.3226000E-01 0.5684000 
1 1 1  -36   12   23 o   9.3640   0.3148   9.5300   0.4479   9.1980   0.4423 0.3317000 0.6295000 
1 1 1  -36   12   24 o   8.6720   0.3440   8.5320   0.5102   8.8130   0.4616 -0.2813000 0.6880000 
1 1 1  -36   12   25 f   5.6960   0.5409   5.2130   0.7128   6.1790   0.8137 -0.9660000 1.082000 
1 1 1  -36   12   26 o   16.740   0.2660   16.800   0.3435   16.690   0.4064 0.1136000 0.5321000 
1 1 1  -36   12   27 o   1.8790   0.6034   2.1480   0.9227   1.6110   0.7777 0.5378000 1.207000 
1 1 1  -36   12   28 o   10.130   0.2983   10.010   0.4197   10.250   0.4239 -0.2447000 0.5965000 
1 1 1  -36   12   29 o   6.2980   0.4608   5.9980   0.6638   6.5980   0.6394 -0.5999000 0.9217000 
1 1 1  -36   14    1 o   21.000   0.1969   20.980   0.2943   21.020   0.2615 -0.4508000E-01 0.3937000 
1 1 1  -36   14    2 o   15.070   0.2086   15.200   0.3118   14.940   0.2771 0.2561000 0.4172000 
1 1 1  -36   14    3 o   3.3770   0.6314   2.8400   0.9382   3.9130   0.8453 -1.073000 1.263000 
1 1 1  -36   14    4 o   7.9430   0.3027   7.8360   0.4347   8.0500   0.4213 -0.2143000 0.6054000 
1 1 1  -36   14    5 f   17.140   0.1837   17.230   0.2567   17.050   0.2628 0.1753000 0.3674000 
1 1 1  -36   14    6 o   4.8250   0.4762   4.6360   0.6922   5.0150   0.6541 -0.3785000 0.9523000 
1 1 1  -36   14    7 o   27.470   0.2025   27.490   0.3094   27.460   0.2614 0.3282000E-01 0.4051000 
1 1 1  -36   14    8 o   5.5390   0.4548   6.1670   0.6236   4.9100   0.6620 1.257000 0.9095000 
1 1 1  -36   14    9 o   6.1200   0.4054   6.2950   0.6088   5.9460   0.5354 0.3497000 0.8107000 
1 1 1  -36   14   10 o   8.3520   0.3111   8.5030   0.4748   8.2000   0.4020 0.3036000 0.6221000 
1 1 1  -36   14   11 o   21.650   0.1974   21.610   0.3049   21.690   0.2509 -0.8090000E-01 0.3949000 
1 1 1  -36   14   12 o   4.3310   0.5872   5.2770   0.7414   3.3850   0.9107 1.892000 1.174000 
1 1 1  -36   14   13 o   13.440   0.2274   13.800   0.3424   13.070   0.2992 0.7360000 0.4547000 
1 1 1  -36   14   14 o   8.3160   0.3158   8.5340   0.4748   8.0970   0.4164 0.4370000 0.6316000 
1 1 1  -36   14   15 o   3.6090   0.6579   4.1690   0.9267   3.0480   0.9342 1.121000 1.316000 
1 1 1  -36   14   16 o   11.120   0.2738   11.330   0.3848   10.910   0.3896 0.4281000 0.5476000 
1 1 1  -36   14   17 o   12.850   0.3044   13.010   0.4440   12.700   0.4165 0.3090000 0.6088000 
1 1 1  -36   14   18 o   10.400   0.3634   9.5320   0.5758   11.260   0.4434 -1.729000 0.7268000 
1 1 1  -36   14   19 f   17.460   0.2497   17.890   0.3910   17.040   0.3107 0.8492000 0.4994000 
1 1 1  -36   14   20 o   9.4820   0.3656   9.4320   0.5927   9.5320   0.4281 -0.1001000 0.7312000 
1 1 1  -36   14   21 o   15.400   0.3499   15.050   0.6153   15.740   0.3332 -0.6948000 0.6997000 
1 1 1  -36   14   22 o   2.0870   0.6606   1.8370   0.8828   2.3380   0.9830 -0.5009000 1.321000 
1 1 1  -36   14   23 o   5.1740   0.5849   5.0650   0.8568   5.2820   0.7965 -0.2170000 1.170000 
1 1 1  -36   14   24 o   10.030   0.3576   10.140   0.4569   9.9070   0.5503 0.2378000 0.7153000 
1 1 1  -36   14   25 o   10.490   0.3079   10.820   0.4350   10.160   0.4360 0.6538000 0.6159000 
1 1 1  -36   14   26 o   2.8230   0.7330   3.2380   1.0760   2.4080   0.9954 0.8300000 1.466000 
1 1 1  -36   14   27 o   10.260   0.3222   10.410   0.4652   10.120   0.4460 0.2955000 0.6444000 
1 1 1  -36   14   28 o   3.1240   0.8092   2.3990   1.0650   3.8490   1.2180 -1.450000 1.618000 
1 1 1  -36   16    1 o   7.1870   0.3834   6.9690   0.5854   7.4060   0.4951 -0.4371000 0.7667000 
1 1 1  -36   16    2 o   13.990   0.2289   13.830   0.3427   14.150   0.3035 -0.3262000 0.4578000 
1 1 1  -36   16    3 o   14.600   0.2107   14.630   0.2957   14.580   0.3002 0.4900000E-01 0.4213000 
1 1 1  -36   16    4 o   8.1980   0.3160   7.5310   0.4736   8.8640   0.4184 -1.334000 0.6319000 
1 1 1  -36   16    5 o   5.2120   0.4709   5.4620   0.6112   4.9620   0.7165 0.5001000 0.9418000 
1 1 1  -36   16    6 o   3.9640   0.5988   3.9650   0.8322   3.9620   0.8611 0.3095000E-02 1.198000 
1 1 1  -36   16    7 o   8.0260   0.3024   7.9370   0.4301   8.1140   0.4251 -0.1766000 0.6047000 
1 1 1  -36   16    8 o   11.530   0.2548   11.750   0.3860   11.300   0.3328 0.4529000 0.5096000 
1 1 1  -36   16    9 o   4.9020   0.5399   5.7850   0.6946   4.0190   0.8267 1.766000 1.080000 
1 1 1  -36   16   10 f   7.7200   0.3541   7.4550   0.5608   7.9850   0.4324 -0.5297000 0.7081000 
1 1 1  -36   16   11 o   14.510   0.2242   14.170   0.3504   14.860   0.2798 -0.6949000 0.4484000 
1 1 1  -36   16   12 o   8.0180   0.3340   8.3640   0.5049   7.6710   0.4373 0.6937000 0.6679000 
1 1 1  -36   16   13 o   16.540   0.2503   16.680   0.3970   16.400   0.3050 0.2797000 0.5007000 
1 1 1  -36   16   14 f   10.890   0.3176   10.860   0.5051   10.920   0.3851 -0.5863000E-01 0.6352000 
1 1 1  -36   16   15 o   5.2730   0.6178   5.3400   0.7744   5.2050   0.9629 0.1351000 1.236000 
1 1 1  -36   16   16 o   10.610   0.3333   10.730   0.5153   10.480   0.4229 0.2542000 0.6667000 
1 1 1  -36   16   17 o   2.5700   0.7344   2.7490   1.1230   2.3920   0.9468 0.3579000 1.469000 
1 1 1  -36   16   18 o   9.1700   0.3332   9.1320   0.4816   9.2090   0.4606 -0.7677000E-01 0.6664000 
1 1 1  -36   16   19 o   2.2730   0.6746   1.8340   0.8608   2.7120   1.0390 -0.8772000 1.349000 
1 1 1  -36   16   20 f   11.040   0.2935   10.840   0.4283   11.230   0.4014 -0.3895000 0.5870000 
1 1 1  -36   16   21 o   4.6500   0.7365   4.2390   1.2140   5.0620   0.8345 -0.8234000 1.473000 
1 1 1  -36   16   22 o   2.8150   0.8322   2.9150   1.3000   2.7150   1.0390 0.2002000 1.664000 
1 1 1  -36   16   23 o   9.2080   0.4379   8.6370   0.6319   9.7780   0.6064 -1.141000 0.8757000 
1 1 1  -36   16   24 o   5.9230   0.5312   5.8080   0.7543   6.0380   0.7482 -0.2302000 1.062000 
1 1 1  -36   16   25 o   4.0160   0.7209   3.5130   1.0680   4.5180   0.9680 -1.004000 1.442000 
1 1 1  -36   16   26 o   6.6330   0.6094   6.9650   0.8003   6.3010   0.9191 0.6632000 1.219000 
1 1 1  -36   16   27 o   5.3580   1.6040   5.3580   1.6040  ?   ?       ?      ? 
1 1 1  -36   18    1 o   7.8380   0.4681   7.8700   0.6978   7.8070   0.6241 0.6248000E-01 0.9362000 
1 1 1  -36   18    2 o   3.6520   0.7941   3.0870   1.1670   4.2170   1.0770 -1.130000 1.588000 
1 1 1  -36   18    3 o   7.1180   0.4469   7.1500   0.6149   7.0850   0.6486 0.6534000E-01 0.8938000 
1 1 1  -36   18    4 o   11.860   0.2799   11.900   0.3591   11.830   0.4293 0.6549000E-01 0.5597000 
1 1 1  -36   18    5 o   10.590   0.2873   10.570   0.4148   10.610   0.3977 -0.3915000E-01 0.5746000 
1 1 1  -36   18    6 o   4.0170   0.6646   4.3530   0.9074   3.6810   0.9713 0.6722000 1.329000 
1 1 1  -36   18    7 o   13.400   0.2197   13.730   0.3049   13.080   0.3164 0.6472000 0.4394000 
1 1 1  -36   18    8 o   9.6020   0.3071   9.8030   0.4625   9.4020   0.4041 0.4018000 0.6141000 
1 1 1  -36   18    9 o   2.5720   0.6850   3.3420   1.0710   1.8010   0.8546 1.542000 1.370000 
1 1 1  -36   18   10 o   11.860   0.3289   12.080   0.5128   11.650   0.4121 0.4216000 0.6579000 
1 1 1  -36   18   11 o   10.180   0.3725   10.420   0.5892   9.9420   0.4561 0.4813000 0.7451000 
1 1 1  -36   18   12 o   3.0170   0.8026   3.0380   1.1950   2.9970   1.0720 0.4057000E-01 1.605000 
1 1 1  -36   18   13 o   8.8540   0.3804   8.8140   0.6334   8.8940   0.4215 -0.7964000E-01 0.7608000 
1 1 1  -36   18   14 o   13.590   0.2474   13.680   0.3795   13.500   0.3175 0.1739000 0.4948000 
1 1 1  -36   18   15 o   7.4000   0.3942   7.3270   0.6045   7.4740   0.5062 -0.1471000 0.7884000 
1 1 1  -36   18   16 o   4.0970   0.6752   4.2760   0.9814   3.9190   0.9276 0.3562000 1.350000 
1 1 1  -36   18   17 o   12.660   0.2577   12.560   0.3901   12.760   0.3367 -0.2036000 0.5153000 
1 1 1  -36   18   18 o   4.3480   0.6415   4.8380   0.8895   3.8590   0.9245 0.9794000 1.283000 
1 1 1  -36   18   19 o   3.8620   0.6928   3.7970   1.0480   3.9270   0.9070 -0.1292000 1.386000 
1 1 1  -36   18   20 o   8.5040   0.4149   9.1000   0.4982   7.9080   0.6636 1.192000 0.8298000 
1 1 1  -36   18   21 o   3.9650   0.6729   5.3840   0.7933   2.5460   1.0870 2.838000 1.346000 
1 1 1  -36   18   22 o   2.3490   0.7288   2.3950   1.0810   2.3040   0.9781 0.9116000E-01 1.458000 
1 1 1  -36   18   23 o   3.5190   0.8664   3.2810   1.3770   3.7570   1.0510 -0.4768000 1.733000 
1 1 1  -36   18   24 o   1.8120   0.6248   1.7980   0.8759   1.8270   0.8911 -0.2962000E-01 1.250000 
1 1 1  -36   18   25 o   3.3810   0.7945   3.6600   1.1370   3.1030   1.1100 0.5567000 1.589000 
1 1 1  -36   20    1 o   2.2010   0.6755   2.2050   0.9699   2.1980   0.9406 0.7025000E-02 1.351000 
1 1 1  -36   20    2 o   7.1100   0.4192   6.8490   0.6461   7.3710   0.5342 -0.5223000 0.8384000 
1 1 1  -36   20    3 o   6.4520   0.4249   6.0590   0.6341   6.8460   0.5658 -0.7868000 0.8498000 
1 1 1  -36   20    4 o   4.6850   0.5882   3.6910   0.9686   5.6790   0.6677 -1.988000 1.176000 
1 1 1  -36   20    5 o   4.3430   0.5996   4.0490   0.8848   4.6370   0.8093 -0.5879000 1.199000 
1 1 1  -36   20    6 o   4.6910   0.5589   4.2610   0.8542   5.1210   0.7211 -0.8602000 1.118000 
1 1 1  -36   20    7 o   10.070   0.2749   10.510   0.3693   9.6260   0.4073 0.8849000 0.5498000 
1 1 1  -36   20    8 o   3.2890   0.7405   3.6900   1.0810   2.8880   1.0120 0.8014000 1.481000 
1 1 1  -36   20    9 o   9.7050   0.3682   9.4830   0.6135   9.9270   0.4071 -0.4437000 0.7363000 
1 1 1  -36   20   10 o   3.3810   0.7368   3.3940   1.0740   3.3680   1.0090 0.2587000E-01 1.474000 
1 1 1  -36   20   11 o   6.4350   0.4596   7.1060   0.6492   5.7650   0.6506 1.342000 0.9191000 
1 1 1  -36   20   12 o   9.6900   0.3183   9.8900   0.4857   9.4910   0.4114 0.3991000 0.6365000 
1 1 1  -36   20   13 o   6.9610   0.4153   6.7780   0.6541   7.1430   0.5120 -0.3656000 0.8307000 
1 1 1  -36   20   14 o   11.350   0.2841   10.610   0.4482   12.090   0.3492 -1.474000 0.5682000 
1 1 1  -36   20   15 o   13.360   0.2569   13.530   0.3874   13.190   0.3375 0.3387000 0.5138000 
1 1 1  -36   20   16 o   5.2660   0.5568   4.9350   0.8776   5.5970   0.6855 -0.6624000 1.114000 
1 1 1  -36   20   17 o   8.1790   0.3869   8.2040   0.5498   8.1540   0.5444 0.4962000E-01 0.7737000 
1 1 1  -36   20   18 o   3.7150   0.7471   3.9710   1.0380   3.4600   1.0750 0.5114000 1.494000 
1 1 1  -36   20   19 o   6.0270   0.4925   5.7790   0.7734   6.2760   0.6099 -0.4973000 0.9849000 
1 1 1  -36   20   20 o   6.8900   0.4386   7.5320   0.6207   6.2470   0.6198 1.285000 0.8771000 
1 1 1  -36   20   21 o   6.5430   0.5536   6.6900   0.8204   6.3960   0.7434 0.2936000 1.107000 
1 1 1  -36   20   22 f   5.0150   0.6560   5.2780   0.8874   4.7530   0.9664 0.5247000 1.312000 
1 1 1  -36   20   23 o   8.4490   0.4668   8.3160   0.7469   8.5810   0.5601 -0.2654000 0.9336000 
1 1 1  -36   22    1 o   2.2150   0.7082   2.0320   0.9709   2.3990   1.0310 -0.3675000 1.416000 
1 1 1  -36   22    2 f   6.6300   0.5929   7.3620   0.8576   5.8970   0.8188 1.464000 1.186000 
1 1 1  -36   22    3 o   2.5000   0.7094   2.7660   1.0430   2.2330   0.9616 0.5334000 1.419000 
1 1 1  -36   22    4 o   6.6810   0.4214   7.1270   0.5515   6.2350   0.6374 0.8923000 0.8429000 
1 1 1  -36   22    5 o   6.7990   0.4264   7.2540   0.5924   6.3440   0.6136 0.9104000 0.8529000 
1 1 1  -36   22    6 o   7.4910   0.3687   7.5670   0.5127   7.4150   0.5301 0.1520000 0.7375000 
1 1 1  -36   22    7 o   4.4840   0.6057   4.5400   0.8402   4.4280   0.8728 0.1121000 1.211000 
1 1 1  -36   22    8 o   5.2950   0.5657   5.2500   0.8653   5.3410   0.7291 -0.9053000E-01 1.131000 
1 1 1  -36   22    9 o   9.4240   0.3327   9.2000   0.5118   9.6470   0.4253 -0.4468000 0.6654000 
1 1 1  -36   22   10 o   9.6990   0.3221   9.7990   0.4817   9.5990   0.4278 0.2003000 0.6442000 
1 1 1  -36   22   11 o   2.7090   0.7546   2.5980   1.0600   2.8210   1.0740 -0.2228000 1.509000 
1 1 1  -36   22   12 o   8.1330   0.4217   7.2660   0.6663   8.9990   0.5172 -1.733000 0.8435000 
1 1 1  -36   22   13 o   4.0750   0.7329   4.6920   0.9720   3.4570   1.0970 1.235000 1.466000 
1 1 1  -36   22   14 o   3.9120   0.7473   4.2430   1.0300   3.5810   1.0830 0.6617000 1.495000 
1 1 1  -36   22   15 o   5.0810   0.6152   4.2400   1.0510   5.9220   0.6397 -1.682000 1.230000 
1 1 1  -36   22   16 o   2.5410   0.7515   2.3630   1.0550   2.7200   1.0710 -0.3570000 1.503000 
1 1 1  -36   22   17 o   5.6920   0.6477   5.9810   0.9249   5.4020   0.9069 0.5793000 1.295000 
1 1 1  -36   22   18 o   10.100   0.3916   10.470   0.5611   9.7310   0.5463 0.7379000 0.7831000 
1 1 1  -36   22   19 o   2.7030   0.7323   3.1710   1.1020   2.2340   0.9647 0.9370000 1.465000 
1 1 1  -36   22   20 o   5.9110   0.5278   6.2610   0.7511   5.5610   0.7418 0.7004000 1.056000 
1 1 1  -36   24    1 f   2.2560   0.7303   2.1670   1.0090   2.3450   1.0560 -0.1784000 1.461000 
1 1 1  -36   24    2 o   5.2060   0.7461   4.8420   1.2070   5.5690   0.8773 -0.7278000 1.492000 
1 1 1  -36   24    3 o   3.6980   0.7534   2.8120   1.1160   4.5840   1.0120 -1.772000 1.507000 
1 1 1  -36   24    4 o   3.3360   0.7542   2.6110   1.0600   4.0620   1.0730 -1.451000 1.508000 
1 1 1  -36   24    5 o   2.9530   0.7667   3.3410   1.1110   2.5660   1.0570 0.7746000 1.533000 
1 1 1  -36   24    6 o   3.9470   0.7582   3.5330   1.1070   4.3610   1.0360 -0.8288000 1.516000 
1 1 1  -36   24    7 o   5.5350   0.5955   6.2100   0.7252   4.8610   0.9448 1.349000 1.191000 
1 1 1  -36   24    8 o   6.1310   0.6149   5.4620   1.0210   6.8000   0.6849 -1.338000 1.230000 
1 1 1  -36   24    9 o   2.2230   0.7118   2.3070   1.0460   2.1380   0.9658 0.1688000 1.424000 
1 1 1  -36   24   10 o   7.2650   0.5156   6.8580   0.8188   7.6720   0.6267 -0.8138000 1.031000 
1 1 1  -36   24   11 o   4.5430   0.7501   5.3870   0.9960   3.6980   1.1220 1.688000 1.500000 
1 1 1  -36   24   12 o   4.9870   0.7241   4.6280   1.1410   5.3450   0.8919 -0.7168000 1.448000 
1 1 1  -36   24   13 o   2.1550   0.6682   1.8920   0.8963   2.4190   0.9914 -0.5269000 1.336000 
1 1 1  -36   24   14 o   3.3090   0.7658   3.5990   1.1220   3.0190   1.0430 0.5796000 1.532000 
1 1 1  -36   24   15 o   3.0080   0.7629   3.0820   1.1180   2.9330   1.0380 0.1484000 1.526000 
1 1 1  -36   24   16 o   3.7220   0.7028   2.9280   1.1080   4.5170   0.8648 -1.589000 1.406000 
1 1 1  -36   24   17 o   4.3010   0.7012   3.5670   1.1330   5.0350   0.8268 -1.468000 1.402000 
1 1 1  -36   26    1 o   6.6430   0.5878   6.2870   0.8185   7.0000   0.8438 -0.7135000 1.176000 
1 1 1  -36   26    2 o   3.6620   0.8458   4.1200   1.1580   3.2050   1.2330 0.9145000 1.692000 
1 1 1  -36   26    3 o   2.9190   0.7743   3.0420   1.1030   2.7960   1.0870 0.2461000 1.549000 
1 1 1  -36   26    4 f   3.7310   0.7465   4.1420   1.0220   3.3190   1.0890 0.8232000 1.493000 
1 1 1  -36   26    5 o   5.8640   0.5421   5.1660   0.8652   6.5620   0.6533 -1.396000 1.084000 
1 1 1  -36   26    6 o   4.3420   0.6707   3.4320   1.0800   5.2520   0.7955 -1.821000 1.341000 
1 1 1  -36   26    7 o   2.3670   0.7059   2.2490   0.9788   2.4850   1.0170 -0.2364000 1.412000 
1 1 1  -36   26    8 o   3.0640   0.7800   2.8310   1.1320   3.2980   1.0730 -0.4666000 1.560000 
1 1 1  -36   26    9 o   4.4350   0.7253   4.8000   1.0310   4.0700   1.0210 0.7300000 1.451000 
1 1 1  -36   26   10 o   2.8980   0.7382   2.3070   1.0230   3.4890   1.0650 -1.182000 1.476000 
1 1 1  -36   26   11 o   2.0020   0.6547   2.2590   1.0160   1.7450   0.8261 0.5138000 1.309000 
1 1 1  -36   26   12 o   2.4200   0.7279   2.2880   1.0320   2.5520   1.0260 -0.2637000 1.456000 
1 1 1  -35    1    1 o   38.930   0.2628   39.060   0.4085   38.800   0.3305 0.2627000 0.5255000 
1 1 1  -35    1    2 o   8.1820   0.2068   7.7680   0.3011   8.5970   0.2835 -0.8285000 0.4136000 
1 1 1  -35    1    3 o   34.370   0.2873   34.110   0.4944   34.620   0.2928 -0.5063000 0.5746000 
1 1 1  -35    1    4 o   48.930   0.4044   48.700   0.6994   49.170   0.4062 -0.4644000 0.8088000 
1 1 1  -35    1    5 f   18.760   0.2023   18.190   0.3259   19.340   0.2396 -1.151000 0.4045000 
1 1 1  -35    1    6 o   15.200   0.1910   15.300   0.3128   15.090   0.2194 0.2171000 0.3820000 
1 1 1  -35    1    7 o   22.500   0.2253   23.150   0.3737   21.850   0.2516 1.305000 0.4505000 
1 1 1  -35    1    8 o   9.5330   0.1393   9.2650   0.2268   9.8010   0.1619 -0.5366000 0.2787000 
1 1 1  -35    1    9 o   24.370   0.1749   24.480   0.2212   24.270   0.2709 0.2135000 0.3497000 
1 1 1  -35    1   10 o   9.0550   0.1594   9.0400   0.2322   9.0700   0.2183 -0.3043000E-01 0.3187000 
1 1 1  -35    1   11 o   5.5380   0.2227   5.7030   0.3074   5.3720   0.3223 0.3314000 0.4453000 
1 1 1  -35    1   12 o   30.820   0.2061   30.920   0.2378   30.720   0.3367 0.1989000 0.4122000 
1 1 1  -35    1   13 o   3.5370   0.5058   3.9110   0.5217   3.1620   0.8666 0.7482000 1.012000 
1 1 1  -35    1   14 o   10.780   0.2732   10.520   0.3320   11.050   0.4340 -0.5302000 0.5464000 
1 1 1  -35    1   15 o   25.710   0.2727   26.080   0.4437   25.350   0.3171 0.7367000 0.5454000 
1 1 1  -35    1   16 o   24.060   0.1891   23.840   0.3078   24.270   0.2197 -0.4262000 0.3782000 
1 1 1  -35    1   17 o   15.590   0.1541   15.350   0.2188   15.840   0.2169 -0.4837000 0.3081000 
1 1 1  -35    1   18 o   34.070   0.2224   34.080   0.3149   34.060   0.3141 0.1917000E-01 0.4448000 
1 1 1  -35    1   19 o   12.500   0.1792   12.620   0.2537   12.390   0.2532 0.2304000 0.3585000 
1 1 1  -35    1   20 o   9.0340   0.2268   8.7090   0.3309   9.3590   0.3103 -0.6494000 0.4537000 
1 1 1  -35    1   21 o   8.4210   0.2457   8.4440   0.3478   8.3980   0.3471 0.4576000E-01 0.4914000 
1 1 1  -35    1   22 o   17.980   0.1808   17.960   0.2748   18.000   0.2352 -0.3358000E-01 0.3617000 
1 1 1  -35    1   23 o   20.880   0.2420   20.920   0.3436   20.840   0.3408 0.8080000E-01 0.4839000 
1 1 1  -35    1   24 o   12.110   0.2193   12.150   0.2948   12.080   0.3249 0.6883000E-01 0.4387000 
1 1 1  -35    1   25 o   13.410   0.2105   13.210   0.2827   13.620   0.3118 -0.4166000 0.4209000 
1 1 1  -35    1   26 o   8.2580   0.3056   8.4890   0.3966   8.0260   0.4649 0.4636000 0.6111000 
1 1 1  -35    1   27 o   16.530   0.3099   16.820   0.3319   16.240   0.5234 0.5784000 0.6198000 
1 1 1  -35    1   28 o   12.430   0.2543   12.700   0.3467   12.170   0.3720 0.5312000 0.5085000 
1 1 1  -35    1   29 o   11.070   0.2681   10.810   0.3641   11.340   0.3937 -0.5266000 0.5362000 
1 1 1  -35    1   30 o   7.3280   0.3701   7.5000   0.4889   7.1570   0.5559 0.3433000 0.7403000 
1 1 1  -35    1   31 o   17.180   0.2162   17.410   0.2871   16.940   0.3234 0.4709000 0.4324000 
1 1 1  -35    1   32 o   10.740   0.2856   10.760   0.3873   10.730   0.4198 0.3406000E-01 0.5712000 
1 1 1  -35    3    1 o   3.8920   0.4978   4.0200   0.6702   3.7650   0.7362 0.2546000 0.9956000 
1 1 1  -35    3    2 o   19.970   0.1575   19.690   0.2542   20.250   0.1858 -0.5568000 0.3149000 
1 1 1  -35    3    3 o   28.280   0.1893   27.970   0.3073   28.600   0.2210 -0.6251000 0.3785000 
1 1 1  -35    3    4 o   24.400   0.2560   24.030   0.4155   24.760   0.2990 -0.7369000 0.5119000 
1 1 1  -35    3    5 o   49.470   0.4406   49.490   0.7203   49.460   0.5076 0.3031000E-01 0.8812000 
1 1 1  -35    3    6 o   40.330   0.2982   40.250   0.4207   40.410   0.4226 -0.1601000 0.5963000 
1 1 1  -35    3    7 o   49.400   0.3582   48.900   0.5020   49.910   0.5112 -1.008000 0.7165000 
1 1 1  -35    3    8 o   54.330   0.3915   54.900   0.5593   53.770   0.5479 1.133000 0.7830000 
1 1 1  -35    3    9 o   59.010   0.3217   59.700   0.4268   58.310   0.4815 1.393000 0.6435000 
1 1 1  -35    3   10 o   27.240   0.1898   27.370   0.2161   27.100   0.3120 0.2639000 0.3795000 
1 1 1  -35    3   11 o   15.270   0.1849   15.790   0.2511   14.750   0.2714 1.041000 0.3697000 
1 1 1  -35    3   12 o   32.980   0.2216   33.510   0.2573   32.460   0.3609 1.053000 0.4432000 
1 1 1  -35    3   13 o   17.360   0.1735   17.260   0.2264   17.460   0.2630 -0.1960000 0.3471000 
1 1 1  -35    3   14 o   23.230   0.1614   23.070   0.2106   23.390   0.2446 -0.3130000 0.3228000 
1 1 1  -35    3   15 o   11.200   0.2319   11.130   0.2923   11.260   0.3601 -0.1365000 0.4638000 
1 1 1  -35    3   16 o   33.200   0.2403   33.260   0.3718   33.140   0.3045 0.1174000 0.4806000 
1 1 1  -35    3   17 o   12.290   0.2261   11.910   0.3586   12.660   0.2755 -0.7505000 0.4522000 
1 1 1  -35    3   18 o   18.220   0.1806   18.640   0.2573   17.810   0.2535 0.8267000 0.3612000 
1 1 1  -35    3   19 o   17.340   0.1725   17.350   0.2297   17.340   0.2574 0.1369000E-01 0.3450000 
1 1 1  -35    3   20 o   11.770   0.2034   11.700   0.2745   11.840   0.3001 -0.1406000 0.4067000 
1 1 1  -35    3   21 f   27.150   0.1890   27.180   0.2483   27.120   0.2850 0.5995000E-01 0.3780000 
1 1 1  -35    3   22 o   14.600   0.2277   14.930   0.2878   14.270   0.3529 0.6527000 0.4554000 
1 1 1  -35    3   23 o   15.520   0.2376   14.770   0.3828   16.270   0.2816 -1.495000 0.4752000 
1 1 1  -35    3   24 o   13.240   0.2100   12.970   0.2881   13.510   0.3057 -0.5444000 0.4201000 
1 1 1  -35    3   25 o   21.280   0.1900   21.170   0.2489   21.400   0.2871 -0.2340000 0.3800000 
1 1 1  -35    3   26 o   8.2100   0.3096   8.3730   0.4079   8.0460   0.4660 0.3274000 0.6193000 
1 1 1  -35    3   27 o   10.700   0.2998   10.050   0.4284   11.350   0.4196 -1.300000 0.5997000 
1 1 1  -35    3   28 o   22.030   0.2440   21.680   0.2999   22.380   0.3850 -0.7018000 0.4881000 
1 1 1  -35    3   29 o   12.560   0.2439   12.600   0.3259   12.530   0.3630 0.7511000E-01 0.4879000 
1 1 1  -35    3   30 o   7.1250   0.3886   6.7960   0.5434   7.4540   0.5558 -0.6577000 0.7773000 
1 1 1  -35    3   31 f   8.9460   0.3218   8.7580   0.4499   9.1340   0.4602 -0.3758000 0.6436000 
1 1 1  -35    3   32 f   6.9040   0.4100   6.7680   0.5694   7.0390   0.5902 -0.2710000 0.8201000 
1 1 1  -35    5    1 o   32.970   0.2349   32.820   0.3655   33.120   0.2952 -0.3008000 0.4698000 
1 1 1  -35    5    2 o   5.0980   0.3900   5.0850   0.5363   5.1110   0.5665 -0.2586000E-01 0.7801000 
1 1 1  -35    5    3 o   11.900   0.1358   12.100   0.1954   11.700   0.1886 0.4060000 0.2716000 
1 1 1  -35    5    4 o   34.910   0.1992   34.720   0.2985   35.100   0.2638 -0.3778000 0.3984000 
1 1 1  -35    5    5 o   35.970   0.2380   35.940   0.3925   36.010   0.2692 -0.7325000E-01 0.4760000 
1 1 1  -35    5    6 o   20.660   0.1716   20.730   0.2928   20.580   0.1792 0.1489000 0.3433000 
1 1 1  -35    5    7 o   29.390   0.2047   29.250   0.3397   29.540   0.2285 -0.2946000 0.4095000 
1 1 1  -35    5    8 o   11.310   0.1412   11.540   0.2162   11.090   0.1818 0.4437000 0.2824000 
1 1 1  -35    5    9 o   12.770   0.2380   13.070   0.1951   12.480   0.4342 0.5881000 0.4760000 
1 1 1  -35    5   10 f   48.740   0.4350   49.810   0.5115   47.660   0.7038 2.152000 0.8701000 
1 1 1  -35    5   11 o   17.970   0.1715   17.810   0.2171   18.140   0.2654 -0.3352000 0.3429000 
1 1 1  -35    5   12 o   49.280   0.2754   49.060   0.3583   49.500   0.4182 -0.4410000 0.5507000 
1 1 1  -35    5   13 o   28.430   0.1817   28.510   0.2380   28.350   0.2747 0.1568000 0.3634000 
1 1 1  -35    5   14 o   28.840   0.1840   28.740   0.2408   28.940   0.2782 -0.1954000 0.3679000 
1 1 1  -35    5   15 o   35.940   0.2591   36.020   0.3278   35.870   0.4013 0.1513000 0.5182000 
1 1 1  -35    5   16 o   32.470   0.2010   32.650   0.2649   32.290   0.3024 0.3501000 0.4020000 
1 1 1  -35    5   17 o   10.650   0.2555   10.370   0.4103   10.930   0.3047 -0.5533000 0.5111000 
1 1 1  -35    5   18 o   28.270   0.2275   28.360   0.3529   28.180   0.2871 0.1820000 0.4550000 
1 1 1  -35    5   19 o   21.200   0.1880   21.220   0.2681   21.180   0.2635 0.3348000E-01 0.3760000 
1 1 1  -35    5   20 o   19.380   0.1771   19.200   0.2345   19.560   0.2655 -0.3614000 0.3543000 
1 1 1  -35    5   21 o   7.6470   0.3520   7.5660   0.4519   7.7280   0.5397 -0.1622000 0.7039000 
1 1 1  -35    5   22 o   30.260   0.2034   30.220   0.2676   30.300   0.3063 -0.8320000E-01 0.4067000 
1 1 1  -35    5   23 o   9.2660   0.2808   9.7010   0.3961   8.8300   0.3981 0.8713000 0.5615000 
1 1 1  -35    5   24 o   14.990   0.2030   15.150   0.2729   14.840   0.3007 0.3075000 0.4061000 
1 1 1  -35    5   25 o   3.3250   0.6614   3.4390   0.9075   3.2100   0.9624 0.2295000 1.323000 
1 1 1  -35    5   26 o   6.7980   0.4326   7.2840   0.5543   6.3130   0.6642 0.9706000 0.8651000 
1 1 1  -35    5   27 o   17.450   0.2343   17.300   0.2707   17.600   0.3824 -0.2951000 0.4685000 
1 1 1  -35    5   28 o   9.9410   0.3373   9.8220   0.4251   10.060   0.5237 -0.2380000 0.6746000 
1 1 1  -35    5   29 o   8.4500   0.3251   8.5170   0.4273   8.3830   0.4901 0.1340000 0.6502000 
1 1 1  -35    5   30 o   2.9860   0.6688   3.7700   0.9408   2.2020   0.9508 1.568000 1.338000 
1 1 1  -35    5   31 o   1.8830   0.6104   1.8050   0.8334   1.9610   0.8921 -0.1564000 1.221000 
1 1 1  -35    5   32 o   10.060   0.3090   10.320   0.4031   9.8080   0.4685 0.5074000 0.6180000 
1 1 1  -35    7    1 o   21.600   0.1618   21.750   0.2398   21.450   0.2172 0.3004000 0.3235000 
1 1 1  -35    7    2 o   27.870   0.1958   28.160   0.3128   27.580   0.2358 0.5789000 0.3917000 
1 1 1  -35    7    3 o   22.650   0.1744   23.070   0.2386   22.230   0.2545 0.8377000 0.3489000 
1 1 1  -35    7    4 o   39.420   0.2735   39.420   0.4219   39.410   0.3481 0.4387000E-03 0.5469000 
1 1 1  -35    7    5 o   29.640   0.2009   29.320   0.2804   29.950   0.2878 -0.6303000 0.4018000 
1 1 1  -35    7    6 o   25.350   0.2363   25.370   0.3325   25.320   0.3358 0.4976000E-01 0.4726000 
1 1 1  -35    7    7 o   34.200   0.2759   34.100   0.3888   34.300   0.3916 -0.1965000 0.5518000 
1 1 1  -35    7    8 o   4.7240   0.6059   5.2060   0.7703   4.2410   0.9355 0.9655000 1.212000 
1 1 1  -35    7    9 o   64.020   0.3524   64.220   0.5350   63.830   0.4589 0.3931000 0.7049000 
1 1 1  -35    7   10 o   8.8740   0.2238   9.1040   0.3387   8.6440   0.2926 0.4605000 0.4476000 
1 1 1  -35    7   11 o   23.030   0.1808   23.280   0.2578   22.770   0.2535 0.5047000 0.3615000 
1 1 1  -35    7   12 o   40.400   0.2526   40.780   0.3606   40.030   0.3539 0.7439000 0.5052000 
1 1 1  -35    7   13 o   27.650   0.1976   27.760   0.2818   27.540   0.2770 0.2173000 0.3952000 
1 1 1  -35    7   14 f   22.220   0.2127   22.100   0.2672   22.340   0.3311 -0.2361000 0.4255000 
1 1 1  -35    7   15 o   7.0770   0.2997   7.1600   0.3909   6.9940   0.4544 0.1656000 0.5994000 
1 1 1  -35    7   16 o   2.8520   0.6394   2.6000   0.8867   3.1040   0.9214 -0.5050000 1.279000 
1 1 1  -35    7   17 f   19.920   0.1762   19.890   0.2352   19.960   0.2626 -0.7255000E-01 0.3525000 
1 1 1  -35    7   18 o   16.830   0.1955   16.400   0.2858   17.260   0.2667 -0.8649000 0.3909000 
1 1 1  -35    7   19 o   15.510   0.2430   15.720   0.3437   15.300   0.3437 0.4231000 0.4861000 
1 1 1  -35    7   20 o   10.630   0.2738   10.710   0.3493   10.550   0.4217 0.1609000 0.5476000 
1 1 1  -35    7   21 o   15.260   0.1931   15.340   0.2578   15.170   0.2876 0.1781000 0.3862000 
1 1 1  -35    7   22 o   23.920   0.1888   24.090   0.2507   23.750   0.2824 0.3400000 0.3776000 
1 1 1  -35    7   23 o   14.230   0.2196   14.420   0.3122   14.040   0.3088 0.3782000 0.4392000 
1 1 1  -35    7   24 o   14.800   0.2056   14.700   0.2760   14.900   0.3048 -0.1990000 0.4112000 
1 1 1  -35    7   25 o   8.7040   0.3450   8.8070   0.4727   8.6000   0.5026 0.2072000 0.6899000 
1 1 1  -35    7   26 o   6.2610   0.4035   6.1420   0.5508   6.3800   0.5898 -0.2378000 0.8070000 
1 1 1  -35    7   27 o   11.960   0.2945   12.370   0.3698   11.540   0.4585 0.8288000 0.5890000 
1 1 1  -35    7   28 o   4.3260   0.6027   3.5820   0.9339   5.0690   0.7621 -1.487000 1.205000 
1 1 1  -35    7   29 o   1.9500   0.6192   1.8210   0.8329   2.0780   0.9165 -0.2563000 1.238000 
1 1 1  -35    7   30 o   10.040   0.2907   10.180   0.3867   9.9030   0.4341 0.2786000 0.5814000 
1 1 1  -35    7   31 f   2.1880   0.6636   1.9760   0.8841   2.4000   0.9899 -0.4239000 1.327000 
1 1 1  -35    9    1 o   27.780   0.1862   27.340   0.2768   28.220   0.2493 -0.8752000 0.3725000 
1 1 1  -35    9    2 f   31.760   0.2000   31.410   0.2984   32.120   0.2663 -0.7012000 0.3999000 
1 1 1  -35    9    3 o   26.870   0.1808   26.960   0.2706   26.780   0.2399 0.1864000 0.3616000 
1 1 1  -35    9    4 o   30.670   0.2299   30.720   0.2548   30.620   0.3826 0.9702000E-01 0.4597000 
1 1 1  -35    9    5 o   6.3020   0.4162   6.2350   0.4020   6.3680   0.7289 -0.1333000 0.8324000 
1 1 1  -35    9    6 o   8.5560   0.3356   8.6080   0.3779   8.5040   0.5548 0.1039000 0.6712000 
1 1 1  -35    9    7 o   10.390   0.2112   10.660   0.3178   10.120   0.2783 0.5400000 0.4225000 
1 1 1  -35    9    8 o   22.710   0.1730   22.610   0.2628   22.810   0.2251 -0.2047000 0.3460000 
1 1 1  -35    9    9 o   27.610   0.1872   27.600   0.2847   27.620   0.2432 -0.2139000E-01 0.3745000 
1 1 1  -35    9   10 o   27.420   0.1868   27.030   0.2822   27.810   0.2448 -0.7782000 0.3736000 
1 1 1  -35    9   11 o   14.740   0.1829   14.750   0.2788   14.740   0.2368 0.1861000E-01 0.3658000 
1 1 1  -35    9   12 o   43.620   0.3071   43.410   0.3852   43.830   0.4784 -0.4245000 0.6142000 
1 1 1  -35    9   13 o   6.3790   0.4617   7.1850   0.5007   5.5740   0.7759 1.611000 0.9234000 
1 1 1  -35    9   14 o   15.570   0.2004   15.560   0.2886   15.580   0.2780 -0.2125000E-01 0.4007000 
1 1 1  -35    9   15 o   17.970   0.1945   17.710   0.2837   18.240   0.2662 -0.5239000 0.3890000 
1 1 1  -35    9   16 o   17.330   0.1993   17.360   0.2872   17.310   0.2764 0.5650000E-01 0.3986000 
1 1 1  -35    9   17 o   20.210   0.2435   20.110   0.3453   20.310   0.3435 -0.2011000 0.4870000 
1 1 1  -35    9   18 o   20.410   0.2432   20.680   0.3459   20.150   0.3421 0.5320000 0.4865000 
1 1 1  -35    9   19 o   20.900   0.2251   20.900   0.3557   20.910   0.2760 -0.8671000E-02 0.4502000 
1 1 1  -35    9   20 f   15.140   0.2425   15.320   0.3853   14.960   0.2947 0.3598000 0.4850000 
1 1 1  -35    9   21 o   2.8580   0.7343   3.5280   1.1470   2.1890   0.9178 1.339000 1.469000 
1 1 1  -35    9   22 o   3.2500   0.6658   2.6910   0.9905   3.8100   0.8899 -1.119000 1.332000 
1 1 1  -35    9   23 o   5.1450   0.5738   4.8430   0.8627   5.4480   0.7569 -0.6047000 1.148000 
1 1 1  -35    9   24 o   17.390   0.2008   17.280   0.2660   17.500   0.3008 -0.2250000 0.4015000 
1 1 1  -35    9   25 o   7.4700   0.3402   7.6740   0.4538   7.2670   0.5069 0.4069000 0.6804000 
1 1 1  -35    9   26 o   11.160   0.2583   11.290   0.3393   11.030   0.3895 0.2617000 0.5166000 
1 1 1  -35    9   27 o   10.620   0.3262   10.560   0.4182   10.680   0.5008 -0.1115000 0.6524000 
1 1 1  -35    9   28 o   2.0170   0.6319   1.8690   0.8503   2.1660   0.9350 -0.2970000 1.264000 
1 1 1  -35    9   29 o   10.370   0.2821   10.040   0.3915   10.710   0.4063 -0.6728000 0.5642000 
1 1 1  -35    9   30 o   4.4390   0.6212   4.5570   0.8144   4.3200   0.9381 0.2364000 1.242000 
1 1 1  -35    9   31 o   3.1100   0.7768   3.2010   1.0210   3.0180   1.1710 0.1831000 1.554000 
1 1 1  -35   11    1 o   30.050   0.2343   31.200   0.3076   28.910   0.3535 2.293000 0.4686000 
1 1 1  -35   11    2 o   12.380   0.2876   12.020   0.3195   12.740   0.4782 -0.7172000 0.5751000 
1 1 1  -35   11    3 o   29.380   0.2698   28.920   0.3653   29.840   0.3971 -0.9128000 0.5396000 
1 1 1  -35   11    4 o   34.120   0.2655   34.270   0.3290   33.980   0.4168 0.2854000 0.5310000 
1 1 1  -35   11    5 o   3.4460   0.6451   2.5300   0.9771   4.3610   0.8426 -1.830000 1.290000 
1 1 1  -35   11    6 o   22.660   0.1963   22.600   0.2768   22.720   0.2784 -0.1184000 0.3926000 
1 1 1  -35   11    7 o   19.070   0.1946   18.940   0.2747   19.200   0.2757 -0.2574000 0.3891000 
1 1 1  -35   11    8 o   18.320   0.1956   18.230   0.2757   18.420   0.2777 -0.1965000 0.3913000 
1 1 1  -35   11    9 o   13.790   0.2159   13.680   0.3084   13.910   0.3022 -0.2297000 0.4318000 
1 1 1  -35   11   10 o   17.200   0.2033   17.120   0.2885   17.280   0.2866 -0.1533000 0.4067000 
1 1 1  -35   11   11 o   15.820   0.1944   15.900   0.2922   15.750   0.2563 0.1456000 0.3887000 
1 1 1  -35   11   12 o   14.190   0.2414   14.900   0.3764   13.470   0.3022 1.426000 0.4827000 
1 1 1  -35   11   13 o   10.200   0.2585   10.470   0.3692   9.9270   0.3619 0.5451000 0.5169000 
1 1 1  -35   11   14 o   13.670   0.2739   13.900   0.3824   13.440   0.3923 0.4643000 0.5478000 
1 1 1  -35   11   15 o   29.090   0.2660   28.900   0.3746   29.280   0.3778 -0.3839000 0.5320000 
1 1 1  -35   11   16 o   14.610   0.2203   14.890   0.3146   14.340   0.3085 0.5443000 0.4406000 
1 1 1  -35   11   17 o   9.4070   0.2883   9.5870   0.4163   9.2260   0.3990 0.3609000 0.5766000 
1 1 1  -35   11   18 o   16.760   0.2116   16.540   0.3025   16.980   0.2960 -0.4337000 0.4232000 
1 1 1  -35   11   19 o   7.5110   0.3501   7.4010   0.5133   7.6220   0.4763 -0.2211000 0.7002000 
1 1 1  -35   11   20 o   5.6200   0.4871   5.3070   0.7459   5.9320   0.6267 -0.6251000 0.9743000 
1 1 1  -35   11   21 o   2.5870   1.0390  ?   ?    2.5870   1.0390      ?      ? 
1 1 1  -35   11   22 o   5.2150   1.3890   5.2150   1.3890  ?   ?       ?      ? 
1 1 1  -35   11   23 o   7.5220   0.3656   7.8120   0.5110   7.2320   0.5229 0.5800000 0.7312000 
1 1 1  -35   11   24 o   10.290   0.2701   10.270   0.3655   10.300   0.3979 -0.3351000E-01 0.5403000 
1 1 1  -35   11   25 o   9.9850   0.2887   9.7160   0.4015   10.250   0.4150 -0.5392000 0.5774000 
1 1 1  -35   11   26 o   2.3140   0.7010   2.6030   1.0430   2.0250   0.9371 0.5780000 1.402000 
1 1 1  -35   11   27 o   12.670   0.2565   12.580   0.3509   12.770   0.3744 -0.1950000 0.5131000 
1 1 1  -35   11   28 o   8.9350   0.3298   9.0250   0.4511   8.8440   0.4813 0.1810000 0.6596000 
1 1 1  -35   11   29 o   12.170   0.2601   11.870   0.3650   12.460   0.3708 -0.5874000 0.5203000 
1 1 1  -35   11   30 o   3.5260   0.8015   2.9280   1.0930   4.1230   1.1720 -1.196000 1.603000 
1 1 1  -35   13    1 o   20.090   0.3403   19.330   0.3259   20.860   0.5976 -1.529000 0.6807000 
1 1 1  -35   13    2 o   3.4760   0.7119   3.5550   1.0310   3.3960   0.9821 0.1583000 1.424000 
1 1 1  -35   13    3 o   6.4850   0.3891   6.4770   0.5425   6.4930   0.5578 -0.1553000E-01 0.7781000 
1 1 1  -35   13    4 o   18.610   0.1992   18.410   0.2777   18.800   0.2855 -0.3973000 0.3983000 
1 1 1  -35   13    5 o   15.920   0.2037   15.990   0.2789   15.850   0.2969 0.1463000 0.4074000 
1 1 1  -35   13    6 o   30.740   0.2174   30.840   0.3047   30.630   0.3101 0.2032000 0.4347000 
1 1 1  -35   13    7 o   22.180   0.2222   21.940   0.3434   22.430   0.2820 -0.4849000 0.4443000 
1 1 1  -35   13    8 o   15.200   0.2341   15.210   0.3599   15.190   0.2996 0.2021000E-01 0.4683000 
1 1 1  -35   13    9 o   16.050   0.2318   15.660   0.3594   16.440   0.2928 -0.7795000 0.4636000 
1 1 1  -35   13   10 o   19.380   0.2232   18.960   0.3475   19.800   0.2802 -0.8353000 0.4464000 
1 1 1  -35   13   11 o   4.4140   0.6514   4.5930   0.9766   4.2350   0.8624 0.3571000 1.303000 
1 1 1  -35   13   12 o   7.5340   0.3396   7.3280   0.5294   7.7410   0.4254 -0.4128000 0.6791000 
1 1 1  -35   13   13 o   16.380   0.2032   16.190   0.3120   16.560   0.2603 -0.3696000 0.4063000 
1 1 1  -35   13   14 o   24.750   0.1965   24.680   0.2997   24.820   0.2543 -0.1408000 0.3930000 
1 1 1  -35   13   15 o   17.490   0.2146   17.700   0.3051   17.280   0.3018 0.4155000 0.4291000 
1 1 1  -35   13   16 o   8.3520   0.3354   8.2710   0.4865   8.4330   0.4617 -0.1622000 0.6707000 
1 1 1  -35   13   17 o   19.280   0.2100   19.290   0.2996   19.260   0.2944 0.3404000E-01 0.4200000 
1 1 1  -35   13   18 o   20.840   0.2115   20.860   0.3034   20.810   0.2948 0.4802000E-01 0.4231000 
1 1 1  -35   13   19 o   12.080   0.3932   11.920   0.6698   12.240   0.4119 -0.3164000 0.7863000 
1 1 1  -35   13   20 o   14.710   0.2730   14.260   0.4318   15.150   0.3339 -0.8941000 0.5459000 
1 1 1  -35   13   21 o   2.6390   0.7185   2.8670   1.0440   2.4110   0.9879 0.4561000 1.437000 
1 1 1  -35   13   22 o   19.180   0.3268   19.400   0.5737   18.960   0.3133 0.4394000 0.6536000 
1 1 1  -35   13   23 o   7.0590   0.7615   5.4840   1.4420   8.6330   0.4906 -3.149000 1.523000 
1 1 1  -35   13   24 o   2.5510   0.7235   2.7450   1.0640   2.3570   0.9805 0.3880000 1.447000 
1 1 1  -35   13   25 o   4.0810   0.7309   4.6470   0.9233   3.5150   1.1330 1.131000 1.462000 
1 1 1  -35   13   26 o   1.8850   0.6153   1.7030   0.8144   2.0670   0.9227 -0.3642000 1.231000 
1 1 1  -35   13   27 o   5.2440   0.5377   4.9140   0.7759   5.5730   0.7446 -0.6582000 1.075000 
1 1 1  -35   13   28 o   12.390   0.2627   12.310   0.3656   12.480   0.3773 -0.1747000 0.5253000 
1 1 1  -35   13   29 o   3.5590   0.8285   3.6190   1.1310   3.4990   1.2110 0.1197000 1.657000 
1 1 1  -35   15    1 o   19.660   0.2006   19.590   0.2980   19.740   0.2687 -0.1589000 0.4012000 
1 1 1  -35   15    2 o   10.100   0.2751   10.190   0.4008   10.010   0.3771 0.1809000 0.5503000 
1 1 1  -35   15    3 o   10.520   0.2539   10.320   0.3573   10.710   0.3608 -0.3890000 0.5077000 
1 1 1  -35   15    4 f   8.6940   0.2918   8.7420   0.3981   8.6470   0.4267 0.9529000E-01 0.5836000 
1 1 1  -35   15    5 o   9.7200   0.2626   9.5240   0.3704   9.9170   0.3723 -0.3938000 0.5251000 
1 1 1  -35   15    6 o   8.0150   0.3092   7.7560   0.4385   8.2740   0.4359 -0.5182000 0.6183000 
1 1 1  -35   15    7 o   11.520   0.2555   11.660   0.3892   11.380   0.3312 0.2824000 0.5111000 
1 1 1  -35   15    8 o   15.110   0.2163   15.400   0.3268   14.820   0.2833 0.5811000 0.4325000 
1 1 1  -35   15    9 o   3.7360   0.6206   2.6580   1.0130   4.8140   0.7169 -2.156000 1.241000 
1 1 1  -35   15   10 o   8.6200   0.3152   9.2630   0.4657   7.9770   0.4250 1.287000 0.6304000 
1 1 1  -35   15   11 o   13.400   0.2319   13.420   0.3588   13.380   0.2940 0.4240000E-01 0.4639000 
1 1 1  -35   15   12 o   13.000   0.2320   12.770   0.3603   13.220   0.2924 -0.4506000 0.4640000 
1 1 1  -35   15   13 o   9.2210   0.2931   9.6050   0.4342   8.8370   0.3938 0.7680000 0.5862000 
1 1 1  -35   15   14 o   14.820   0.2181   14.980   0.3298   14.660   0.2853 0.3233000 0.4361000 
1 1 1  -35   15   15 o   15.890   0.2549   15.920   0.4026   15.870   0.3127 0.5830000E-01 0.5097000 
1 1 1  -35   15   16 o   10.320   0.3321   9.9650   0.5451   10.670   0.3796 -0.7016000 0.6642000 
1 1 1  -35   15   17 o   8.2090   0.4409   8.2480   0.6580   8.1690   0.5869 0.7923000E-01 0.8817000 
1 1 1  -35   15   18 o   10.380   0.3359   10.630   0.5244   10.130   0.4200 0.4950000 0.6718000 
1 1 1  -35   15   19 o   10.680   0.2942   10.290   0.4391   11.070   0.3916 -0.7743000 0.5884000 
1 1 1  -35   15   20 o   2.3280   0.6905   2.4550   1.0040   2.2010   0.9484 0.2538000 1.381000 
1 1 1  -35   15   21 o   13.660   0.2579   13.720   0.3705   13.610   0.3589 0.1059000 0.5158000 
1 1 1  -35   15   22 o   17.530   0.2366   17.460   0.3361   17.600   0.3330 -0.1444000 0.4732000 
1 1 1  -35   15   23 o   4.8800   0.9024   4.6620   1.4730   5.0980   1.0430 -0.4355000 1.805000 
1 1 1  -35   15   24 o   3.4890   0.9183   4.0480   1.4850   2.9310   1.0800 1.116000 1.837000 
1 1 1  -35   15   25 o   10.140   0.3215   10.420   0.4515   9.8720   0.4579 0.5439000 0.6430000 
1 1 1  -35   15   26 o   2.8390   0.7219   3.5790   1.0980   2.0990   0.9371 1.480000 1.444000 
1 1 1  -35   15   27 o   3.7900   0.8277   4.4590   1.1480   3.1210   1.1930 1.339000 1.655000 
1 1 1  -35   15   28 o   5.9640   1.6250   5.9640   1.6250  ?   ?       ?      ? 
1 1 1  -35   17    1 o   7.2980   0.4023   7.6420   0.5501   6.9530   0.5870 0.6884000 0.8045000 
1 1 1  -35   17    2 o   13.480   0.2536   13.190   0.3645   13.760   0.3526 -0.5706000 0.5071000 
1 1 1  -35   17    3 o   13.140   0.2321   13.020   0.3319   13.260   0.3246 -0.2373000 0.4643000 
1 1 1  -35   17    4 o   11.960   0.2409   11.650   0.3441   12.260   0.3371 -0.6117000 0.4817000 
1 1 1  -35   17    5 o   14.160   0.2111   13.780   0.2995   14.540   0.2976 -0.7630000 0.4222000 
1 1 1  -35   17    6 o   8.2100   0.3134   8.0780   0.4489   8.3430   0.4375 -0.2648000 0.6269000 
1 1 1  -35   17    7 o   7.8560   0.3220   7.6130   0.4663   8.0990   0.4441 -0.4868000 0.6439000 
1 1 1  -35   17    8 o   4.8010   0.6592   5.4070   0.9610   4.1950   0.9024 1.212000 1.318000 
1 1 1  -35   17    9 o   2.7720   0.7498   2.6940   1.1130   2.8490   1.0050 -0.1547000 1.500000 
1 1 1  -35   17   10 o   11.520   0.3106   11.670   0.5002   11.380   0.3684 0.2846000 0.6213000 
1 1 1  -35   17   11 f   2.5700   0.7479   2.6420   1.1310   2.4970   0.9788 0.1448000 1.496000 
1 1 1  -35   17   12 o   11.840   0.3041   11.940   0.4928   11.740   0.3565 0.2032000 0.6082000 
1 1 1  -35   17   13 o   3.9250   0.7803   4.6900   1.1380   3.1600   1.0680 1.530000 1.561000 
1 1 1  -35   17   14 o   14.420   0.2859   14.350   0.4513   14.490   0.3510 -0.1494000 0.5717000 
1 1 1  -35   17   15 f   5.6150   0.5604   6.2850   0.8214   4.9440   0.7626 1.341000 1.121000 
1 1 1  -35   17   16 o   8.8000   0.3289   8.2520   0.5185   9.3490   0.4049 -1.097000 0.6579000 
1 1 1  -35   17   17 o   3.9770   0.6784   4.2530   0.9831   3.7000   0.9351 0.5532000 1.357000 
1 1 1  -35   17   18 o   9.9370   0.3021   9.4580   0.4737   10.420   0.3751 -0.9573000 0.6042000 
1 1 1  -35   17   19 o   6.0690   0.5021   6.0980   0.7179   6.0410   0.7021 0.5641000E-01 1.004000 
1 1 1  -35   17   20 o   3.3900   0.7163   4.1810   0.9899   2.5990   1.0350 1.581000 1.433000 
1 1 1  -35   17   21 o   10.250   0.3501   10.730   0.4428   9.7710   0.5425 0.9634000 0.7002000 
1 1 1  -35   17   22 o   3.9170   0.7655   4.4030   0.9799   3.4320   1.1760 0.9707000 1.531000 
1 1 1  -35   17   23 o   12.460   0.2879   12.420   0.4183   12.500   0.3956 -0.8027000E-01 0.5758000 
1 1 1  -35   17   24 o   6.7230   0.7545   5.7980   1.3860   7.6480   0.5974 -1.850000 1.509000 
1 1 1  -35   17   25 o   4.7560   0.9601   4.6510   1.4840   4.8600   1.2190 -0.2088000 1.920000 
1 1 1  -35   17   26 o   2.7450   0.7643   2.6230   1.0790   2.8660   1.0830 -0.2437000 1.529000 
1 1 1  -35   19    1 o   11.570   0.2903   11.250   0.4165   11.890   0.4044 -0.6409000 0.5806000 
1 1 1  -35   19    2 o   4.5130   0.6557   4.0670   1.0430   4.9590   0.7942 -0.8914000 1.311000 
1 1 1  -35   19    3 o   3.2970   0.7156   3.6410   0.9971   2.9530   1.0270 0.6884000 1.431000 
1 1 1  -35   19    4 o   11.040   0.2624   10.920   0.3719   11.160   0.3703 -0.2368000 0.5249000 
1 1 1  -35   19    5 o   7.1000   0.4177   6.3930   0.6764   7.8080   0.4903 -1.415000 0.8354000 
1 1 1  -35   19    6 o   2.5540   0.7253   2.9340   1.0800   2.1730   0.9681 0.7613000 1.451000 
1 1 1  -35   19    7 o   5.4790   0.5581   5.1500   0.8205   5.8080   0.7568 -0.6581000 1.116000 
1 1 1  -35   19    8 f   3.5960   0.7807   3.8100   1.2110   3.3830   0.9857 0.4275000 1.561000 
1 1 1  -35   19    9 o   5.4500   0.5120   5.7020   0.7504   5.1980   0.6967 0.5047000 1.024000 
1 1 1  -35   19   10 o   9.6900   0.3095   9.4270   0.4805   9.9530   0.3900 -0.5257000 0.6189000 
1 1 1  -35   19   11 o   6.2310   0.4626   6.7670   0.6730   5.6950   0.6350 1.071000 0.9253000 
1 1 1  -35   19   12 o   7.7370   0.3854   7.6590   0.6006   7.8140   0.4833 -0.1543000 0.7709000 
1 1 1  -35   19   13 o   13.550   0.2479   13.300   0.3815   13.810   0.3167 -0.5160000 0.4958000 
1 1 1  -35   19   14 o   18.630   0.2190   18.440   0.3337   18.820   0.2838 -0.3844000 0.4380000 
1 1 1  -35   19   15 o   9.7390   0.3155   9.9050   0.4751   9.5720   0.4152 0.3330000 0.6310000 
1 1 1  -35   19   16 o   10.920   0.2880   11.240   0.4270   10.610   0.3865 0.6390000 0.5759000 
1 1 1  -35   19   17 o   2.8440   0.7174   3.3850   1.0710   2.3040   0.9553 1.080000 1.435000 
1 1 1  -35   19   18 o   4.5450   0.6261   4.7760   0.9016   4.3140   0.8688 0.4612000 1.252000 
1 1 1  -35   19   19 o   2.9570   0.7529   3.1310   1.0770   2.7830   1.0520 0.3478000 1.506000 
1 1 1  -35   19   20 o   6.8150   0.4597   6.2850   0.6935   7.3450   0.6035 -1.059000 0.9193000 
1 1 1  -35   19   21 o   14.110   0.2680   13.630   0.3876   14.580   0.3703 -0.9428000 0.5361000 
1 1 1  -35   19   22 o   3.2410   0.8551   3.0090   1.1630   3.4730   1.2540 -0.4638000 1.710000 
1 1 1  -35   19   23 o   10.330   0.4228   10.320   0.5990   10.340   0.5969 -0.1873000E-01 0.8456000 
1 1 1  -35   19   24 o   4.1200   0.6923   2.8710   1.1140   5.3690   0.8222 -2.498000 1.385000 
1 1 1  -35   21    1 o   2.2610   0.7142   2.1000   0.9521   2.4220   1.0650 -0.3214000 1.428000 
1 1 1  -35   21    2 o   3.0720   0.7830   2.7180   1.0200   3.4260   1.1880 -0.7073000 1.566000 
1 1 1  -35   21    3 o   7.3920   0.3925   7.9240   0.5086   6.8610   0.5980 1.064000 0.7850000 
1 1 1  -35   21    4 f   13.190   0.2427   13.240   0.3330   13.140   0.3532 0.1006000 0.4854000 
1 1 1  -35   21    5 o   13.840   0.2318   13.940   0.3211   13.750   0.3344 0.1891000 0.4636000 
1 1 1  -35   21    6 o   7.0840   0.3828   7.1540   0.5270   7.0150   0.5554 0.1391000 0.7656000 
1 1 1  -35   21    7 o   5.5900   0.4798   5.7150   0.6600   5.4660   0.6966 0.2489000 0.9596000 
1 1 1  -35   21    8 o   2.7000   0.7207   2.3520   1.0080   3.0470   1.0300 -0.6957000 1.441000 
1 1 1  -35   21    9 o   11.190   0.2912   11.450   0.4370   10.930   0.3851 0.5132000 0.5825000 
1 1 1  -35   21   10 o   10.350   0.3043   10.450   0.4581   10.250   0.4007 0.1995000 0.6086000 
1 1 1  -35   21   11 o   10.660   0.3032   10.830   0.4608   10.480   0.3941 0.3530000 0.6063000 
1 1 1  -35   21   12 o   3.0360   0.7327   3.6040   1.0950   2.4680   0.9739 1.136000 1.465000 
1 1 1  -35   21   13 f   9.2970   0.3290   9.0060   0.5092   9.5870   0.4167 -0.5811000 0.6580000 
1 1 1  -35   21   14 o   2.6590   0.7392   2.7860   1.0630   2.5310   1.0280 0.2550000 1.478000 
1 1 1  -35   21   15 o   7.3040   0.4346   6.6070   0.6639   8.0010   0.5612 -1.395000 0.8693000 
1 1 1  -35   21   16 o   6.6980   0.4755   7.2980   0.6063   6.0970   0.7328 1.201000 0.9511000 
1 1 1  -35   21   17 o   5.2680   0.5831   4.5840   0.9615   5.9510   0.6600 -1.367000 1.166000 
1 1 1  -35   21   18 o   3.5080   0.7548   3.4080   1.1050   3.6080   1.0280 -0.2003000 1.510000 
1 1 1  -35   21   19 o   2.2080   0.7073   2.2040   1.0070   2.2110   0.9938 -0.6975000E-02 1.415000 
1 1 1  -35   21   20 o   2.9180   0.7890   3.5310   1.2060   2.3040   1.0170 1.227000 1.578000 
1 1 1  -35   21   21 o   2.3550   0.6916   2.0060   0.9271   2.7040   1.0260 -0.6978000 1.383000 
1 1 1  -35   21   22 o   2.2940   0.6537   1.5600   0.7714   3.0290   1.0560 -1.469000 1.307000 
1 1 1  -35   23    1 o   2.1880   0.6952   2.1210   0.9647   2.2550   1.0010 -0.1335000 1.390000 
1 1 1  -35   23    2 o   3.4560   0.8057   3.1490   1.0680   3.7620   1.2060 -0.6126000 1.611000 
1 1 1  -35   23    3 o   5.0670   0.6690   5.1320   0.8029   5.0030   1.0700 0.1293000 1.338000 
1 1 1  -35   23    4 o   6.9830   0.4870   7.0700   0.6736   6.8970   0.7035 0.1731000 0.9739000 
1 1 1  -35   23    5 o   3.4870   0.7965   3.4790   1.1280   3.4940   1.1250 -0.1447000E-01 1.593000 
1 1 1  -35   23    6 o   2.7060   0.7438   2.1420   0.9698   3.2710   1.1280 -1.129000 1.488000 
1 1 1  -35   23    7 o   8.8210   0.3878   8.9890   0.5433   8.6520   0.5534 0.3366000 0.7756000 
1 1 1  -35   23    8 o   4.2370   0.7396   3.8780   1.0980   4.5960   0.9916 -0.7181000 1.479000 
1 1 1  -35   23    9 o   5.8570   0.5624   5.4950   0.8571   6.2200   0.7284 -0.7251000 1.125000 
1 1 1  -35   23   10 f   4.5380   0.6629   3.6760   1.1070   5.4000   0.7296 -1.724000 1.326000 
1 1 1  -35   23   11 o   6.7910   0.4543   7.4590   0.6342   6.1230   0.6505 1.335000 0.9085000 
1 1 1  -35   23   12 o   4.9650   0.6470   3.9300   1.1140   6.0000   0.6587 -2.070000 1.294000 
1 1 1  -35   23   13 o   2.4110   0.7373   2.2370   1.0190   2.5860   1.0650 -0.3490000 1.475000 
1 1 1  -35   23   14 o   3.3320   0.8242   3.5730   1.2110   3.0920   1.1180 0.4807000 1.648000 
1 1 1  -35   23   15 f   6.0140   0.6057   6.8520   0.7973   5.1760   0.9119 1.676000 1.211000 
1 1 1  -35   23   16 o   1.8330   0.6011   1.4910   0.7422   2.1760   0.9456 -0.6846000 1.202000 
1 1 1  -35   23   17 o   2.4080   0.7133   2.7260   1.0830   2.0900   0.9284 0.6365000 1.427000 
1 1 1  -35   23   18 o   3.0900   0.7550   3.6520   1.1110   2.5270   1.0220 1.125000 1.510000 
1 1 1  -35   23   19 o   2.2630   0.6978   2.2710   0.9993   2.2550   0.9742 0.1635000E-01 1.396000 
1 1 1  -35   25    1 f   2.2700   0.6994   2.1380   0.9762   2.4020   1.0020 -0.2646000 1.399000 
1 1 1  -35   25    2 f   5.2720   0.6227   5.4600   0.7951   5.0840   0.9586 0.3755000 1.245000 
1 1 1  -35   25    3 o   6.6440   0.5511   7.2490   0.6041   6.0390   0.9220 1.209000 1.102000 
1 1 1  -35   25    4 o   2.1580   0.6957   1.7670   0.8410   2.5480   1.1080 -0.7811000 1.391000 
1 1 1  -35   25    5 o   6.2670   0.4741   6.3290   0.6571   6.2060   0.6837 0.1228000 0.9483000 
1 1 1  -35   25    6 o   4.9700   0.6144   4.0570   1.0090   5.8840   0.7017 -1.827000 1.229000 
1 1 1  -35   25    7 o   1.8460   0.6079   1.8080   0.8498   1.8840   0.8695 -0.7648000E-01 1.216000 
1 1 1  -35   25    8 o   5.5900   0.5681   6.0350   0.8102   5.1440   0.7967 0.8909000 1.136000 
1 1 1  -35   25    9 o   2.0630   0.6583   2.5280   1.0650   1.5980   0.7741 0.9292000 1.317000 
1 1 1  -35   25   10 o   5.7000   0.5721   5.2490   0.9229   6.1520   0.6763 -0.9034000 1.144000 
1 1 1  -35   25   11 o   2.3290   0.7110   2.4480   1.0530   2.2100   0.9551 0.2378000 1.422000 
1 1 1  -35   25   12 o   9.4370   0.3628   9.9830   0.5356   8.8920   0.4894 1.091000 0.7255000 
1 1 1  -35   25   13 o   3.1540   0.7447   2.5660   1.0810   3.7420   1.0240 -1.177000 1.489000 
1 1 1  -35   25   14 o   3.0440   0.7695   3.1520   1.1280   2.9360   1.0470 0.2167000 1.539000 
1 1 1  -35   25   15 o   4.7210   0.6688   4.3280   1.0760   5.1140   0.7944 -0.7854000 1.338000 
1 1 1  -35   27    1 o   4.3880   0.7520   4.0040   1.1810   4.7730   0.9309 -0.7691000 1.504000 
1 1 1  -35   27    2 o   2.4510   0.7105   2.0410   0.9315   2.8610   1.0730 -0.8203000 1.421000 
1 1 1  -35   27    3 o   3.0960   0.7097   2.2020   0.9779   3.9900   1.0290 -1.789000 1.419000 
1 1 1  -35   27    4 o   3.2610   0.7836   3.7730   1.0550   2.7500   1.1590 1.022000 1.567000 
1 1 1  -35   27    5 o   1.9530   0.6461   1.9930   0.9088   1.9130   0.9186 0.8004000E-01 1.292000 
1 1 1  -35   27    6 o   1.9790   0.6439   2.1710   0.9612   1.7880   0.8569 0.3828000 1.288000 
1 1 1  -35   27    7 o   2.2230   0.6821   2.1060   0.9440   2.3400   0.9847 -0.2340000 1.364000 
1 1 1  -35   27    8 o   2.3930   0.7333   2.5650   1.0990   2.2210   0.9711 0.3437000 1.467000 
1 1 1  -35   27    9 o   1.7840   0.8524  ?   ?    1.7840   0.8524      ?      ? 
1 1 1  -34    0    1 o   16.740   0.2558   16.740   0.2558   16.740   0.2558 -0.000000 0.000000 
1 1 1  -34    0    2 o   34.370   0.5061   34.370   0.5061   34.370   0.5061 -0.000000 0.000000 
1 1 1  -34    0    3 o   7.9890   0.2270   7.9890   0.2270   7.9890   0.2270 -0.000000 0.000000 
1 1 1  -34    0    4 o   17.880   0.1781   17.880   0.1781   17.880   0.1781 -0.000000 0.000000 
1 1 1  -34    0    5 o   16.470   0.1652   16.470   0.1652   16.470   0.1652 -0.000000 0.000000 
1 1 1  -34    0    6 o   43.360   0.3587   43.360   0.3587   43.360   0.3587 -0.000000 0.000000 
1 1 1  -34    0    7 o   9.2480   0.1448   9.2480   0.1448   9.2480   0.1448 -0.000000 0.000000 
1 1 1  -34    0    8 o   12.710   0.1621   12.710   0.1621   12.710   0.1621 -0.000000 0.000000 
1 1 1  -34    0    9 o   50.900   0.5148   50.900   0.5148   50.900   0.5148 -0.000000 0.000000 
1 1 1  -34    0   10 o   24.410   0.2274   24.410   0.2274   24.410   0.2274 -0.000000 0.000000 
1 1 1  -34    0   11 o   60.720   0.4322   60.720   0.4322   60.720   0.4322 -0.000000 0.000000 
1 1 1  -34    0   12 o   6.4710   0.2987   6.4710   0.2987   6.4710   0.2987 -0.000000 0.000000 
1 1 1  -34    0   13 o   5.6320   0.3697   5.6320   0.3697   5.6320   0.3697 -0.000000 0.000000 
1 1 1  -34    0   14 o   19.750   0.2834   19.750   0.2834   19.750   0.2834 -0.000000 0.000000 
1 1 1  -34    0   16 o   19.220   0.2985   19.220   0.2985   19.220   0.2985 -0.000000 0.000000 
1 1 1  -34    0   17 o   2.7980   1.0790   2.7980   1.0790   2.7980   1.0790 -0.000000 0.000000 
1 1 1  -34    0   18 o   20.210   0.2236   20.210   0.2236   20.210   0.2236 -0.000000 0.000000 
1 1 1  -34    0   19 o   41.980   0.3209   41.980   0.3209   41.980   0.3209 -0.000000 0.000000 
1 1 1  -34    0   20 o   30.710   0.2604   30.710   0.2604   30.710   0.2604 -0.000000 0.000000 
1 1 1  -34    0   21 o   23.180   0.2347   23.180   0.2347   23.180   0.2347 -0.000000 0.000000 
1 1 1  -34    0   22 o   5.9840   0.4962   5.9840   0.4962   5.9840   0.4962 -0.000000 0.000000 
1 1 1  -34    0   23 o   11.020   0.4306   11.020   0.4306   11.020   0.4306 -0.000000 0.000000 
1 1 1  -34    0   24 o   30.110   0.2693   30.110   0.2693   30.110   0.2693 -0.000000 0.000000 
1 1 1  -34    0   25 o   13.620   0.2790   13.620   0.2790   13.620   0.2790 -0.000000 0.000000 
1 1 1  -34    0   26 o   14.440   0.2775   14.440   0.2775   14.440   0.2775 -0.000000 0.000000 
1 1 1  -34    0   27 o   7.7300   0.6320   7.7300   0.6320   7.7300   0.6320 -0.000000 0.000000 
1 1 1  -34    0   28 o   13.190   0.3019   13.190   0.3019   13.190   0.3019 -0.000000 0.000000 
1 1 1  -34    0   29 o   4.9030   0.7452   4.9030   0.7452   4.9030   0.7452 -0.000000 0.000000 
1 1 1  -34    0   30 o   1.9480   1.1080   1.9480   1.1080   1.9480   1.1080 -0.000000 0.000000 
1 1 1  -34    0   31 o   16.110   0.3334   16.110   0.3334   16.110   0.3334 -0.000000 0.000000 
1 1 1  -34    0   32 o   8.8270   0.4920   8.8270   0.4920   8.8270   0.4920 -0.000000 0.000000 
1 1 1  -34    2    1 o   42.080   0.3077   42.230   0.4371   41.930   0.4332 0.2985000 0.6154000 
1 1 1  -34    2    2 o   19.650   0.2574  ?   ?    19.650   0.2574      ?      ? 
1 1 1  -34    2    3 o   27.890   0.1974   28.010   0.3043   27.760   0.2514 0.2447000 0.3947000 
1 1 1  -34    2    4 o   15.520   0.2184   15.380   0.3546   15.650   0.2552 -0.2716000 0.4369000 
1 1 1  -34    2    5 o   39.690   0.5856  ?   ?    39.690   0.5856      ?      ? 
1 1 1  -34    2    6 o   22.110   0.2682   22.160   0.3756   22.060   0.3829 0.9764000E-01 0.5364000 
1 1 1  -34    2    7 o   30.720   0.4732  ?   ?    30.720   0.4732      ?      ? 
1 1 1  -34    2    8 o   6.9760   0.2163   6.5410   0.3833   7.4120   0.2008 -0.8709000 0.4327000 
1 1 1  -34    2    9 o   35.210   0.1984   35.330   0.2602   35.080   0.2996 0.2450000 0.3968000 
1 1 1  -34    2   10 o   26.040   0.1690   26.360   0.2419   25.730   0.2361 0.6313000 0.3380000 
1 1 1  -34    2   11 o   25.750   0.1601   25.430   0.2074   26.080   0.2441 -0.6415000 0.3203000 
1 1 1  -34    2   12 o   21.990   0.1489   22.000   0.1950   21.970   0.2252 0.2884000E-01 0.2979000 
1 1 1  -34    2   13 o   53.920   0.3553   54.050   0.4501   53.790   0.5497 0.2601000 0.7105000 
1 1 1  -34    2   14 o   30.540   0.2794   30.960   0.2837   30.110   0.4815 0.8467000 0.5588000 
1 1 1  -34    2   15 o   17.450   0.1903   17.380   0.2395   17.520   0.2959 -0.1340000 0.3806000 
1 1 1  -34    2   16 o   19.120   0.1603   18.980   0.2117   19.270   0.2408 -0.2843000 0.3206000 
1 1 1  -34    2   17 o   35.280   0.2534   35.180   0.3926   35.380   0.3206 -0.1962000 0.5069000 
1 1 1  -34    2   18 o   28.930   0.2258   28.730   0.3494   29.120   0.2861 -0.3884000 0.4516000 
1 1 1  -34    2   19 o   3.9650   0.5275   3.6880   0.7519   4.2430   0.7402 -0.5548000 1.055000 
1 1 1  -34    2   20 o   4.2770   0.4997   3.7160   0.7632   4.8390   0.6453 -1.123000 0.9995000 
1 1 1  -34    2   21 o   26.430   0.2010   26.000   0.2840   26.870   0.2845 -0.8690000 0.4020000 
1 1 1  -34    2   22 f   12.310   0.2491   11.790   0.3246   12.830   0.3779 -1.042000 0.4982000 
1 1 1  -34    2   23 o   9.0420   0.2870   9.4860   0.4003   8.5990   0.4114 0.8865000 0.5740000 
1 1 1  -34    2   24 o   12.680   0.2147   12.670   0.2884   12.680   0.3181 -0.1465000E-01 0.4294000 
1 1 1  -34    2   25 o   6.7790   0.3497   6.7450   0.4732   6.8130   0.5150 -0.6831000E-01 0.6994000 
1 1 1  -34    2   26 o   19.330   0.1945   19.360   0.2561   19.290   0.2929 0.6319000E-01 0.3891000 
1 1 1  -34    2   27 o   12.230   0.3739   12.650   0.4376   11.800   0.6065 0.8496000 0.7479000 
1 1 1  -34    2   28 o   7.3420   0.3608   7.6180   0.4562   7.0660   0.5590 0.5519000 0.7215000 
1 1 1  -34    2   29 o   16.270   0.2159   16.030   0.2916   16.510   0.3184 -0.4776000 0.4318000 
1 1 1  -34    2   30 o   6.1580   0.4487   6.5370   0.5541   5.7780   0.7059 0.7591000 0.8974000 
1 1 1  -34    2   31 o   9.0650   0.3129   8.8610   0.4293   9.2690   0.4553 -0.4082000 0.6258000 
1 1 1  -34    2   32 o   13.780   0.2450   13.820   0.3263   13.730   0.3655 0.8993000E-01 0.4899000 
1 1 1  -34    4    1 o   19.620   0.1683   19.830   0.2748   19.420   0.1943 0.4181000 0.3366000 
1 1 1  -34    4    2 o   11.350   0.1802   11.700   0.2660   11.000   0.2432 0.7000000 0.3604000 
1 1 1  -34    4    3 f   18.590   0.1506   18.950   0.2458   18.220   0.1741 0.7282000 0.3012000 
1 1 1  -34    4    4 o   19.890   0.2194   19.690   0.4025   20.090   0.1748 -0.4000000 0.4388000 
1 1 1  -34    4    5 o   34.260   0.3224   33.820   0.5230   34.700   0.3772 -0.8875000 0.6448000 
1 1 1  -34    4    6 o   32.780   0.2547   32.560   0.3583   33.000   0.3621 -0.4464000 0.5094000 
1 1 1  -34    4    7 o   30.070   0.2393   30.040   0.3383   30.090   0.3385 -0.5017000E-01 0.4786000 
1 1 1  -34    4    8 o   6.9140   0.1605   7.6550   0.2368   6.1730   0.2169 1.482000 0.3211000 
1 1 1  -34    4    9 o   9.7280   0.1482   10.060   0.1888   9.4000   0.2284 0.6551000 0.2963000 
1 1 1  -34    4   10 o   30.650   0.1942   30.550   0.2739   30.740   0.2754 -0.1954000 0.3884000 
1 1 1  -34    4   11 o   27.370   0.2000   27.860   0.2574   26.890   0.3061 0.9649000 0.3999000 
1 1 1  -34    4   12 o   12.890   0.2507   13.080   0.2331   12.700   0.4438 0.3741000 0.5013000 
1 1 1  -34    4   13 o   15.080   0.1943   15.270   0.2357   14.890   0.3089 0.3792000 0.3886000 
1 1 1  -34    4   14 o   22.680   0.1627   22.890   0.2139   22.470   0.2453 0.4211000 0.3255000 
1 1 1  -34    4   15 o   22.370   0.2018   22.390   0.2552   22.340   0.3128 0.5713000E-01 0.4036000 
1 1 1  -34    4   16 o   23.650   0.1830   23.990   0.2615   23.300   0.2561 0.6965000 0.3660000 
1 1 1  -34    4   17 o   30.670   0.1948   30.600   0.2555   30.740   0.2941 -0.1444000 0.3896000 
1 1 1  -34    4   18 o   15.030   0.2138   14.810   0.3386   15.240   0.2612 -0.4321000 0.4276000 
1 1 1  -34    4   19 o   35.650   0.2614   35.960   0.4078   35.350   0.3272 0.6107000 0.5229000 
1 1 1  -34    4   20 o   37.150   0.2722   36.640   0.4212   37.660   0.3451 -1.023000 0.5445000 
1 1 1  -34    4   21 o   8.7070   0.3223   8.1910   0.4261   9.2220   0.4837 -1.031000 0.6447000 
1 1 1  -34    4   22 o   24.800   0.1879   25.240   0.2484   24.360   0.2821 0.8820000 0.3759000 
1 1 1  -34    4   23 o   10.140   0.2613   10.490   0.3703   9.7920   0.3689 0.6960000 0.5227000 
1 1 1  -34    4   24 o   23.010   0.1894   23.120   0.2515   22.900   0.2831 0.2234000 0.3787000 
1 1 1  -34    4   25 o   6.6100   0.3713   7.2480   0.4518   5.9720   0.5895 1.275000 0.7427000 
1 1 1  -34    4   26 f   2.8350   0.7323   3.0980   1.0440   2.5710   1.0270 0.5272000 1.465000 
1 1 1  -34    4   27 o   4.0250   0.7388   4.1930   0.9371   3.8560   1.1430 0.3374000 1.478000 
1 1 1  -34    4   28 o   4.4050   0.6051   5.3840   0.6752   3.4260   1.0040 1.958000 1.210000 
1 1 1  -34    4   29 o   6.7670   0.3938   6.1620   0.5798   7.3720   0.5331 -1.210000 0.7876000 
1 1 1  -34    4   30 o   16.940   0.2174   16.900   0.2913   16.970   0.3229 -0.7280000E-01 0.4349000 
1 1 1  -34    4   31 f   2.5350   0.6854   2.9770   1.0140   2.0920   0.9228 0.8844000 1.371000 
1 1 1  -34    6    1 o   47.840   0.2676   47.560   0.4019   48.130   0.3535 -0.5704000 0.5352000 
1 1 1  -34    6    2 o   7.2320   0.2143   7.2730   0.3065   7.1910   0.2997 0.8242000E-01 0.4287000 
1 1 1  -34    6    3 o   43.480   0.3221   43.490   0.4556   43.470   0.4554 0.2413000E-01 0.6442000 
1 1 1  -34    6    4 o   9.5060   0.2016   9.3690   0.2414   9.6440   0.3229 -0.2749000 0.4032000 
1 1 1  -34    6    5 o   60.210   0.3937   59.800   0.6079   60.620   0.5005 -0.8150000 0.7874000 
1 1 1  -34    6    6 o   28.750   0.2075   29.150   0.3264   28.350   0.2565 0.8021000 0.4151000 
1 1 1  -34    6    7 o   3.5380   0.4757   2.6600   0.8226   4.4170   0.4778 -1.757000 0.9513000 
1 1 1  -34    6    8 o   15.630   0.2695   15.460   0.4679   15.800   0.2676 -0.3365000 0.5390000 
1 1 1  -34    6    9 f   24.230   0.2189   24.680   0.3186   23.780   0.3003 0.8990000 0.4379000 
1 1 1  -34    6   10 o   29.790   0.2807   29.790   0.2807  ?   ?       ?      ? 
1 1 1  -34    6   11 o   24.640   0.2088   24.660   0.2594   24.620   0.3272 0.4753000E-01 0.4175000 
1 1 1  -34    6   12 o   29.300   0.2140   28.900   0.2391   29.700   0.3551 -0.7996000 0.4281000 
1 1 1  -34    6   13 o   32.080   0.2402   32.720   0.3064   31.440   0.3700 1.281000 0.4803000 
1 1 1  -34    6   14 o   38.060   0.2728   37.940   0.3433   38.180   0.4242 -0.2314000 0.5457000 
1 1 1  -34    6   15 o   37.240   0.2400   37.130   0.3392   37.340   0.3397 -0.2055000 0.4800000 
1 1 1  -34    6   16 o   3.4860   0.5733   3.4220   0.7843   3.5500   0.8363 -0.1277000 1.147000 
1 1 1  -34    6   17 o   23.590   0.1763   23.720   0.2340   23.470   0.2638 0.2515000 0.3526000 
1 1 1  -34    6   18 o   34.650   0.2150   34.600   0.2823   34.700   0.3245 -0.9539000E-01 0.4301000 
1 1 1  -34    6   19 f   14.620   0.1911   14.470   0.2559   14.760   0.2840 -0.2878000 0.3822000 
1 1 1  -34    6   20 o   4.3140   0.6768   4.0770   1.0170   4.5510   0.8938 -0.4739000 1.354000 
1 1 1  -34    6   21 o   8.1900   0.3460   8.3030   0.5476   8.0770   0.4230 0.2256000 0.6919000 
1 1 1  -34    6   22 o   16.290   0.1890   16.220   0.2538   16.350   0.2802 -0.1278000 0.3780000 
1 1 1  -34    6   23 o   17.750   0.2018   17.770   0.2885   17.720   0.2824 0.4680000E-01 0.4037000 
1 1 1  -34    6   24 o   3.1080   0.5507   4.3770   0.7203   1.8390   0.8332 2.538000 1.101000 
1 1 1  -34    6   25 o   21.810   0.2272   22.170   0.3008   21.460   0.3406 0.7095000 0.4544000 
1 1 1  -34    6   26 o   16.040   0.2048   16.160   0.2747   15.920   0.3039 0.2426000 0.4097000 
1 1 1  -34    6   27 o   8.8910   0.3670   8.8810   0.4620   8.9020   0.5702 -0.2108000E-01 0.7339000 
1 1 1  -34    6   28 o   8.4700   0.3208   8.5120   0.4335   8.4270   0.4731 0.8478000E-01 0.6417000 
1 1 1  -34    6   29 o   5.8730   0.4838   6.7730   0.5268   4.9740   0.8116 1.799000 0.9676000 
1 1 1  -34    6   30 o   3.0730   0.6971   2.5060   0.9633   3.6390   1.0080 -1.133000 1.394000 
1 1 1  -34    6   31 o   9.0900   0.3172   9.1240   0.4262   9.0550   0.4699 0.6867000E-01 0.6344000 
1 1 1  -34    6   32 o   1.9110   0.6204   1.9540   0.8808   1.8690   0.8741 0.8456000E-01 1.241000 
1 1 1  -34    8    1 o   25.720   0.1765   26.010   0.2647   25.430   0.2337 0.5803000 0.3530000 
1 1 1  -34    8    2 o   16.190   0.1600   16.340   0.2338   16.040   0.2185 0.3017000 0.3200000 
1 1 1  -34    8    3 o   34.800   0.2073   34.610   0.3103   34.990   0.2748 -0.3869000 0.4145000 
1 1 1  -34    8    4 o   12.120   0.1607   12.160   0.2248   12.080   0.2297 0.8126000E-01 0.3214000 
1 1 1  -34    8    5 o   44.060   0.2323   43.960   0.3274   44.170   0.3297 -0.2059000 0.4646000 
1 1 1  -34    8    6 o   30.070   0.1895   30.180   0.2884   29.950   0.2460 0.2332000 0.3790000 
1 1 1  -34    8    7 o   22.020   0.1650   22.230   0.2513   21.810   0.2140 0.4213000 0.3301000 
1 1 1  -34    8    8 o   6.7660   0.3928   7.1330   0.4185   6.4000   0.6648 0.7332000 0.7856000 
1 1 1  -34    8    9 o   32.770   0.2468   32.510   0.3051   33.030   0.3879 -0.5205000 0.4935000 
1 1 1  -34    8   10 o   28.730   0.2493   28.360   0.3415   29.100   0.3634 -0.7408000 0.4986000 
1 1 1  -34    8   11 o   14.860   0.1948   14.850   0.2750   14.870   0.2759 -0.2198000E-01 0.3896000 
1 1 1  -34    8   12 o   26.160   0.1960   26.320   0.2801   26.000   0.2744 0.3175000 0.3921000 
1 1 1  -34    8   13 o   29.190   0.2337   29.100   0.2936   29.290   0.3636 -0.1856000 0.4673000 
1 1 1  -34    8   14 o   27.080   0.2009   27.370   0.2875   26.790   0.2807 0.5833000 0.4018000 
1 1 1  -34    8   15 f   19.200   0.1918   19.240   0.2737   19.160   0.2688 0.7753000E-01 0.3836000 
1 1 1  -34    8   16 o   25.280   0.1983   25.420   0.2848   25.140   0.2759 0.2820000 0.3966000 
1 1 1  -34    8   17 o   17.810   0.1971   17.860   0.2872   17.770   0.2701 0.9114000E-01 0.3942000 
1 1 1  -34    8   18 o   5.2960   0.5436   5.7720   0.6112   4.8200   0.8990 0.9513000 1.087000 
1 1 1  -34    8   19 o   3.2750   0.6974   3.8020   0.9097   2.7490   1.0570 1.053000 1.395000 
1 1 1  -34    8   20 o   16.640   0.1893   17.030   0.2518   16.250   0.2827 0.7765000 0.3786000 
1 1 1  -34    8   21 o   9.2400   0.3225   9.3660   0.5030   9.1140   0.4036 0.2518000 0.6449000 
1 1 1  -34    8   22 o   9.3270   0.4069   9.0370   0.7135   9.6170   0.3916 -0.5807000 0.8139000 
1 1 1  -34    8   23 o   14.090   0.2100   13.550   0.2849   14.620   0.3086 -1.077000 0.4200000 
1 1 1  -34    8   24 f   6.3570   0.4551   6.1260   0.6626   6.5870   0.6240 -0.4608000 0.9102000 
1 1 1  -34    8   25 o   4.3990   0.5623   4.1300   0.8120   4.6680   0.7781 -0.5384000 1.125000 
1 1 1  -34    8   26 o   15.560   0.2117   15.530   0.2858   15.590   0.3123 -0.5453000E-01 0.4233000 
1 1 1  -34    8   27 o   5.3440   0.6162   6.1770   0.6670   4.5110   1.0360 1.667000 1.232000 
1 1 1  -34    8   28 o   7.6640   0.3520   7.4540   0.4851   7.8740   0.5101 -0.4199000 0.7039000 
1 1 1  -34    8   29 o   6.6050   0.4053   6.5300   0.5558   6.6800   0.5900 -0.1499000 0.8105000 
1 1 1  -34    8   30 o   12.370   0.2547   12.160   0.3475   12.590   0.3726 -0.4234000 0.5095000 
1 1 1  -34    8   31 f   5.6550   0.4991   6.0430   0.6199   5.2670   0.7824 0.7758000 0.9982000 
1 1 1  -34   10    1 o   7.6640   0.3679   7.6870   0.5499   7.6400   0.4888 0.4785000E-01 0.7358000 
1 1 1  -34   10    2 o   29.780   0.2376   29.510   0.3641   30.050   0.3053 -0.5493000 0.4751000 
1 1 1  -34   10    3 o   15.480   0.2442   16.480   0.2604   14.490   0.4131 1.988000 0.4884000 
1 1 1  -34   10    4 o   3.6710   0.5254   2.6770   0.8630   4.6660   0.5995 -1.989000 1.051000 
1 1 1  -34   10    5 o   16.340   0.1818   16.630   0.2269   16.050   0.2841 0.5752000 0.3636000 
1 1 1  -34   10    6 o   5.7160   0.5289   6.0770   0.5360   5.3540   0.9119 0.7231000 1.058000 
1 1 1  -34   10    7 o   6.1170   0.4906   6.4940   0.5171   5.7400   0.8338 0.7541000 0.9811000 
1 1 1  -34   10    8 o   7.1970   0.3126   7.2080   0.4739   7.1870   0.4079 0.2066000E-01 0.6253000 
1 1 1  -34   10    9 o   5.2300   0.4433   5.0610   0.7018   5.3990   0.5418 -0.3380000 0.8866000 
1 1 1  -34   10   10 o   23.880   0.2246   24.110   0.2788   23.660   0.3521 0.4594000 0.4491000 
1 1 1  -34   10   11 o   19.840   0.1935   19.590   0.2722   20.090   0.2752 -0.5013000 0.3870000 
1 1 1  -34   10   12 o   17.160   0.1844   16.920   0.2809   17.400   0.2389 -0.4722000 0.3687000 
1 1 1  -34   10   13 o   14.420   0.2698   14.520   0.3842   14.330   0.3788 0.1815000 0.5395000 
1 1 1  -34   10   14 o   15.740   0.2067   15.710   0.3005   15.770   0.2838 -0.6034000E-01 0.4133000 
1 1 1  -34   10   15 o   8.7650   0.3379   9.2390   0.4107   8.2900   0.5367 0.9495000 0.6758000 
1 1 1  -34   10   16 f   20.480   0.2480   20.350   0.3508   20.610   0.3507 -0.2632000 0.4961000 
1 1 1  -34   10   17 o   12.120   0.2763   12.180   0.3538   12.060   0.4244 0.1213000 0.5526000 
1 1 1  -34   10   18 o   7.5810   0.3431   7.8670   0.4735   7.2950   0.4967 0.5718000 0.6862000 
1 1 1  -34   10   19 o   14.600   0.2180   14.430   0.3142   14.760   0.3021 -0.3244000 0.4359000 
1 1 1  -34   10   20 o   9.3180   0.2910   9.3990   0.4254   9.2380   0.3972 0.1612000 0.5820000 
1 1 1  -34   10   21 o   4.6020   0.6240   4.9800   0.9080   4.2240   0.8564 0.7560000 1.248000 
1 1 1  -34   10   22 o   11.350   0.2965   11.280   0.4140   11.430   0.4244 -0.1529000 0.5929000 
1 1 1  -34   10   23 o   11.940   0.3188   11.670   0.4916   12.210   0.4061 -0.5375000 0.6377000 
1 1 1  -34   10   24 o   13.970   0.2400   13.910   0.3479   14.030   0.3306 -0.1243000 0.4800000 
1 1 1  -34   10   25 o   11.800   0.2527   11.680   0.3419   11.920   0.3721 -0.2348000 0.5053000 
1 1 1  -34   10   26 o   9.9220   0.3456   10.280   0.4379   9.5600   0.5348 0.7225000 0.6912000 
1 1 1  -34   10   27 o   7.9120   0.3463   8.2460   0.4580   7.5770   0.5195 0.6694000 0.6925000 
1 1 1  -34   10   28 o   2.3870   0.6876   2.2210   0.9390   2.5540   1.0050 -0.3331000 1.375000 
1 1 1  -34   10   29 o   7.1210   0.3958   7.0640   0.5455   7.1780   0.5737 -0.1142000 0.7916000 
1 1 1  -34   10   30 o   1.7740   0.5868   1.4810   0.7269   2.0670   0.9214 -0.5861000 1.174000 
1 1 1  -34   12    1 o   36.090   0.2262   35.980   0.3393   36.190   0.2991 -0.2075000 0.4523000 
1 1 1  -34   12    2 o   28.830   0.2301   29.210   0.3779   28.460   0.2625 0.7439000 0.4601000 
1 1 1  -34   12    3 o   14.890   0.2566   15.090   0.2593   14.690   0.4428 0.3939000 0.5132000 
1 1 1  -34   12    4 o   6.6610   0.4552   6.1620   0.5136   7.1610   0.7517 -0.9994000 0.9104000 
1 1 1  -34   12    5 o   17.340   0.2302   17.100   0.2424   17.590   0.3914 -0.4905000 0.4604000 
1 1 1  -34   12    6 o   8.6500   0.2599   8.5340   0.3686   8.7670   0.3665 -0.2327000 0.5198000 
1 1 1  -34   12    7 o   8.7170   0.3415   9.4160   0.4697   8.0180   0.4959 1.398000 0.6831000 
1 1 1  -34   12    8 o   19.350   0.1863   19.440   0.2822   19.260   0.2432 0.1830000 0.3725000 
1 1 1  -34   12    9 o   4.2820   0.5725   4.7000   0.7938   3.8640   0.8252 0.8354000 1.145000 
1 1 1  -34   12   10 o   24.670   0.1921   24.530   0.2932   24.820   0.2481 -0.2920000 0.3841000 
1 1 1  -34   12   11 o   7.1390   0.3461   7.3380   0.5150   6.9400   0.4625 0.3976000 0.6922000 
1 1 1  -34   12   12 o   25.460   0.2280   25.380   0.3494   25.550   0.2931 -0.1795000 0.4561000 
1 1 1  -34   12   13 f   5.6020   0.6433  ?   ?    5.6020   0.6433      ?      ? 
1 1 1  -34   12   14 o   9.3560   0.3064   9.3120   0.4410   9.4000   0.4254 -0.8741000E-01 0.6127000 
1 1 1  -34   12   15 o   21.590   0.2072   21.370   0.2955   21.810   0.2904 -0.4427000 0.4143000 
1 1 1  -34   12   16 o   23.650   0.2082   23.800   0.2976   23.500   0.2912 0.3022000 0.4164000 
1 1 1  -34   12   17 o   10.300   0.2820   10.360   0.4093   10.250   0.3879 0.1038000 0.5639000 
1 1 1  -34   12   18 o   7.8630   0.3513   8.2410   0.4918   7.4860   0.5017 0.7550000 0.7026000 
1 1 1  -34   12   19 o   16.130   0.2216   16.120   0.3186   16.130   0.3080 -0.7860000E-02 0.4431000 
1 1 1  -34   12   20 o   12.480   0.3859   11.690   0.6612   13.260   0.3979 -1.568000 0.7717000 
1 1 1  -34   12   21 o   6.0700   0.5662   6.7270   0.7817   5.4130   0.8194 1.314000 1.132000 
1 1 1  -34   12   22 o   22.620   0.2172   22.880   0.3127   22.350   0.3015 0.5218000 0.4344000 
1 1 1  -34   12   23 f   8.6150   0.3957   8.5320   0.6441   8.6970   0.4599 -0.1650000 0.7915000 
1 1 1  -34   12   24 o   8.4670   0.5134   9.0610   0.8917   7.8730   0.5092 1.189000 1.027000 
1 1 1  -34   12   25 o   5.2640   0.6893   5.9060   0.8727   4.6220   1.0670 1.284000 1.379000 
1 1 1  -34   12   26 o   8.3060   0.3423   8.4690   0.4557   8.1430   0.5107 0.3268000 0.6845000 
1 1 1  -34   12   27 o   10.590   0.2854   10.660   0.3889   10.520   0.4179 0.1369000 0.5709000 
1 1 1  -34   12   28 o   5.9780   0.4683   6.1530   0.6415   5.8040   0.6825 0.3491000 0.9366000 
1 1 1  -34   12   29 o   6.6750   0.4448   6.6120   0.6300   6.7370   0.6281 -0.1246000 0.8896000 
1 1 1  -34   14    1 o   16.210   0.2708   15.890   0.3023   16.520   0.4495 -0.6293000 0.5417000 
1 1 1  -34   14    2 o   25.800   0.2506   25.760   0.2984   25.840   0.4028 -0.8849000E-01 0.5013000 
1 1 1  -34   14    3 o   8.2600   0.3020   8.1810   0.4264   8.3390   0.4277 -0.1578000 0.6040000 
1 1 1  -34   14    4 o   4.7600   0.5178   5.0100   0.6873   4.5100   0.7748 0.5000000 1.036000 
1 1 1  -34   14    5 o   10.990   0.2484   10.930   0.3285   11.040   0.3728 -0.1080000 0.4969000 
1 1 1  -34   14    6 o   30.370   0.2199   30.240   0.3074   30.500   0.3145 -0.2650000 0.4398000 
1 1 1  -34   14    7 o   17.230   0.2038   17.250   0.3128   17.200   0.2612 0.4971000E-01 0.4075000 
1 1 1  -34   14    8 o   2.3120   0.6419   1.8710   0.8607   2.7540   0.9525 -0.8830000 1.284000 
1 1 1  -34   14    9 o   3.3120   0.6965   3.1350   1.0450   3.4890   0.9212 -0.3543000 1.393000 
1 1 1  -34   14   10 o   15.980   0.2109   16.180   0.3253   15.770   0.2686 0.4116000 0.4218000 
1 1 1  -34   14   11 o   7.8030   0.3444   7.9580   0.5220   7.6480   0.4494 0.3099000 0.6888000 
1 1 1  -34   14   12 o   19.170   0.1996   19.000   0.3050   19.340   0.2576 -0.3478000 0.3992000 
1 1 1  -34   14   13 o   15.360   0.2120   15.450   0.3209   15.260   0.2771 0.1916000 0.4240000 
1 1 1  -34   14   14 o   26.900   0.2035   27.010   0.3086   26.780   0.2653 0.2320000 0.4070000 
1 1 1  -34   14   15 o   25.670   0.2005   25.650   0.3059   25.690   0.2592 -0.4083000E-01 0.4010000 
1 1 1  -34   14   16 o   21.200   0.2133   21.290   0.3059   21.120   0.2974 0.1637000 0.4267000 
1 1 1  -34   14   17 o   9.8670   0.3718   9.3340   0.5747   10.400   0.4720 -1.066000 0.7436000 
1 1 1  -34   14   18 f   3.0730   0.7588   2.2240   1.0740   3.9230   1.0720 -1.699000 1.518000 
1 1 1  -34   14   19 o   5.7670   0.5505   6.5310   0.7715   5.0030   0.7856 1.527000 1.101000 
1 1 1  -34   14   20 o   4.1540   0.6815   4.4750   0.9258   3.8330   1.0000 0.6421000 1.363000 
1 1 1  -34   14   21 o   10.280   0.3054   10.270   0.4342   10.300   0.4295 -0.3230000E-01 0.6108000 
1 1 1  -34   14   22 o   13.090   0.2636   13.380   0.3672   12.800   0.3783 0.5815000 0.5272000 
1 1 1  -34   14   23 o   7.6210   0.4019   7.2300   0.5987   8.0120   0.5363 -0.7825000 0.8038000 
1 1 1  -34   14   24 o   2.7830   0.7953   3.2780   1.2190   2.2870   1.0220 0.9913000 1.591000 
1 1 1  -34   14   25 o   11.960   0.4286   12.070   0.7615   11.850   0.3934 0.2234000 0.8571000 
1 1 1  -34   14   26 o   6.3890   0.5458   6.0830   0.8859   6.6950   0.6378 -0.6118000 1.092000 
1 1 1  -34   14   27 o   4.2900   0.7014   3.7300   1.0850   4.8500   0.8890 -1.120000 1.403000 
1 1 1  -34   14   28 o   2.0210   0.6734   1.7240   0.8445   2.3180   1.0490 -0.5937000 1.347000 
1 1 1  -34   16    1 o   14.760   0.2570   14.650   0.3423   14.860   0.3835 -0.2047000 0.5141000 
1 1 1  -34   16    2 f   17.060   0.2117   17.230   0.3103   16.900   0.2882 0.3298000 0.4235000 
1 1 1  -34   16    3 o   9.7770   0.2776   9.8000   0.3902   9.7540   0.3949 0.4582000E-01 0.5552000 
1 1 1  -34   16    4 o   21.790   0.1871   21.970   0.2615   21.610   0.2678 0.3637000 0.3742000 
1 1 1  -34   16    5 o   13.320   0.2183   13.480   0.3002   13.160   0.3171 0.3229000 0.4366000 
1 1 1  -34   16    6 o   7.9020   0.3246   8.5680   0.4138   7.2350   0.5001 1.333000 0.6492000 
1 1 1  -34   16    7 o   21.400   0.2026   21.270   0.3066   21.540   0.2649 -0.2751000 0.4052000 
1 1 1  -34   16    8 o   5.0290   0.5618   4.4480   0.9334   5.6100   0.6255 -1.162000 1.124000 
1 1 1  -34   16    9 o   8.9090   0.3152   8.7100   0.4865   9.1070   0.4010 -0.3970000 0.6304000 
1 1 1  -34   16   10 o   3.1560   0.6201   2.0640   0.9294   4.2490   0.8211 -2.185000 1.240000 
1 1 1  -34   16   11 o   10.020   0.2876   10.140   0.4440   9.8930   0.3657 0.2443000 0.5752000 
1 1 1  -34   16   12 o   12.440   0.2490   12.600   0.3822   12.290   0.3191 0.3061000 0.4979000 
1 1 1  -34   16   13 f   3.0530   0.7583   2.7490   1.1340   3.3570   1.0070 -0.6085000 1.517000 
1 1 1  -34   16   14 o   9.6650   0.3506   9.8740   0.5525   9.4560   0.4318 0.4174000 0.7012000 
1 1 1  -34   16   15 o   13.130   0.4017   12.950   0.6660   13.310   0.4494 -0.3600000 0.8034000 
1 1 1  -34   16   16 o   13.470   0.2874   13.540   0.4435   13.400   0.3657 0.1422000 0.5749000 
1 1 1  -34   16   17 o   7.5470   0.3952   7.4470   0.5780   7.6470   0.5392 -0.1992000 0.7904000 
1 1 1  -34   16   18 o   14.440   0.2492   14.500   0.3576   14.370   0.3472 0.1334000 0.4984000 
1 1 1  -34   16   19 o   13.150   0.2621   13.200   0.3748   13.100   0.3666 0.1031000 0.5243000 
1 1 1  -34   16   20 o   5.6070   0.5528   5.0670   0.8683   6.1470   0.6843 -1.080000 1.106000 
1 1 1  -34   16   21 o   12.020   0.2814   11.750   0.4120   12.280   0.3835 -0.5254000 0.5628000 
1 1 1  -34   16   22 o   7.3000   0.4791   7.0180   0.6349   7.5820   0.7176 -0.5644000 0.9581000 
1 1 1  -34   16   23 o   5.1480   0.6161   5.7410   0.7465   4.5540   0.9803 1.187000 1.232000 
1 1 1  -34   16   24 o   11.180   0.3035   11.350   0.4246   11.010   0.4338 0.3362000 0.6070000 
1 1 1  -34   16   25 o   6.2810   0.6086   5.7870   1.0130   6.7740   0.6753 -0.9866000 1.217000 
1 1 1  -34   16   26 o   8.1860   0.6559   7.9580   1.0980   8.4140   0.7180 -0.4562000 1.312000 
1 1 1  -34   16   27 o   4.9120   0.6661   4.4360   1.0470   5.3890   0.8237 -0.9527000 1.332000 
1 1 1  -34   18    1 o   7.1140   0.6715   7.2160   0.7769   7.0120   1.0950 0.2039000 1.343000 
1 1 1  -34   18    2 o   3.7320   0.9179   2.7660   1.1510   4.6980   1.4300 -1.931000 1.836000 
1 1 1  -34   18    3 f   5.1230   0.7446   5.0440   1.0550   5.2030   1.0510 -0.1584000 1.489000 
1 1 1  -34   18    4 o   9.1010   0.4260   9.2520   0.5787   8.9510   0.6254 0.3007000 0.8520000 
1 1 1  -34   18    5 o   6.6600   0.5097   6.7530   0.6225   6.5680   0.8073 0.1842000 1.019000 
1 1 1  -34   18    6 o   7.9150   0.5231   7.9150   0.5231  ?   ?       ?      ? 
1 1 1  -34   18    7 o   12.380   0.2967   12.060   0.3807   12.690   0.4552 -0.6254000 0.5934000 
1 1 1  -34   18    8 o   4.0070   0.7983   5.1610   1.1290   2.8530   1.1290 2.308000 1.597000 
1 1 1  -34   18    9 f   4.3020   0.7775   4.7310   1.1460   3.8720   1.0510 0.8593000 1.555000 
1 1 1  -34   18   10 o   10.840   0.3505   10.910   0.5421   10.770   0.4443 0.1334000 0.7009000 
1 1 1  -34   18   11 o   6.2980   0.5952   5.7930   0.9998   6.8040   0.6462 -1.011000 1.190000 
1 1 1  -34   18   12 o   11.010   0.3516   10.910   0.5580   11.100   0.4278 -0.1893000 0.7031000 
1 1 1  -34   18   13 o   3.7520   0.6740   4.6530   0.9205   2.8510   0.9848 1.802000 1.348000 
1 1 1  -34   18   14 o   6.0840   0.4615   6.7320   0.6383   5.4360   0.6668 1.297000 0.9230000 
1 1 1  -34   18   15 o   10.540   0.2875   10.700   0.4310   10.380   0.3808 0.3174000 0.5751000 
1 1 1  -34   18   16 o   13.540   0.2466   13.390   0.3745   13.680   0.3210 -0.2884000 0.4933000 
1 1 1  -34   18   17 o   11.390   0.2760   11.350   0.4180   11.440   0.3604 -0.8956000E-01 0.5519000 
1 1 1  -34   18   18 o   2.4620   0.6868   2.1140   0.9425   2.8100   0.9992 -0.6962000 1.374000 
1 1 1  -34   18   19 o   8.5000   0.3706   8.2990   0.5359   8.7020   0.5121 -0.4034000 0.7412000 
1 1 1  -34   18   20 o   4.1240   0.7065   5.3480   0.8182   2.9000   1.1520 2.448000 1.413000 
1 1 1  -34   18   21 o   10.930   0.3125   11.010   0.4441   10.840   0.4397 0.1735000 0.6250000 
1 1 1  -34   18   22 o   3.9360   0.7281   3.3500   1.1010   4.5210   0.9532 -1.171000 1.456000 
1 1 1  -34   18   23 o   7.7290   0.4098   7.8320   0.5910   7.6260   0.5680 0.2069000 0.8197000 
1 1 1  -34   18   24 o   5.5810   0.7556   5.7930   0.9552   5.3690   1.1710 0.4235000 1.511000 
1 1 1  -34   18   25 o   5.1980   0.6603   4.4170   1.0740   5.9790   0.7679 -1.562000 1.321000 
1 1 1  -34   20    1 o   2.7390   0.7309   3.1990   1.0970   2.2800   0.9664 0.9192000 1.462000 
1 1 1  -34   20    2 o   6.4680   0.4909   5.9220   0.6506   7.0140   0.7352 -1.092000 0.9817000 
1 1 1  -34   20    3 o   6.9490   0.4621   7.1660   0.5386   6.7310   0.7511 0.4350000 0.9243000 
1 1 1  -34   20    4 o   6.4540   0.4858   6.4010   0.5809   6.5080   0.7788 -0.1072000 0.9716000 
1 1 1  -34   20    5 o   9.3820   0.2928   9.1110   0.4160   9.6520   0.4122 -0.5401000 0.5857000 
1 1 1  -34   20    6 o   4.1760   0.6261   4.6320   0.7845   3.7190   0.9760 0.9121000 1.252000 
1 1 1  -34   20    7 o   11.550   0.2505   11.660   0.3481   11.440   0.3602 0.2221000 0.5009000 
1 1 1  -34   20    8 o   4.4880   0.6529   4.1600   1.0330   4.8160   0.7983 -0.6568000 1.306000 
1 1 1  -34   20    9 o   5.9490   0.4867   6.8580   0.6334   5.0410   0.7391 1.816000 0.9733000 
1 1 1  -34   20   10 o   3.1450   0.7263   2.7630   1.0680   3.5260   0.9840 -0.7628000 1.453000 
1 1 1  -34   20   11 o   5.9060   0.5132   5.8110   0.8084   6.0010   0.6325 -0.1905000 1.026000 
1 1 1  -34   20   12 o   9.6430   0.3233   10.140   0.4835   9.1440   0.4292 0.9977000 0.6465000 
1 1 1  -34   20   13 o   8.0850   0.3629   8.6940   0.5228   7.4750   0.5035 1.219000 0.7259000 
1 1 1  -34   20   14 o   4.9170   0.5919   4.7120   0.9223   5.1230   0.7419 -0.4109000 1.184000 
1 1 1  -34   20   15 o   7.5650   0.3938   7.0790   0.6170   8.0510   0.4896 -0.9718000 0.7877000 
1 1 1  -34   20   16 o   14.360   0.2595   14.500   0.3676   14.210   0.3663 0.2884000 0.5189000 
1 1 1  -34   20   17 o   8.7490   0.3596   8.8170   0.5102   8.6810   0.5070 0.1366000 0.7193000 
1 1 1  -34   20   18 o   3.9280   0.6966   3.4620   1.0740   4.3930   0.8875 -0.9312000 1.393000 
1 1 1  -34   20   19 o   5.6470   0.5282   5.7840   0.7723   5.5100   0.7208 0.2744000 1.056000 
1 1 1  -34   20   20 o   8.5850   0.3619   8.7070   0.5389   8.4640   0.4833 0.2429000 0.7239000 
1 1 1  -34   20   21 o   5.1670   0.7595   4.8120   1.0850   5.5230   1.0630 -0.7111000 1.519000 
1 1 1  -34   20   22 o   2.9210   0.7693   3.4450   1.1410   2.3970   1.0320 1.048000 1.539000 
1 1 1  -34   20   23 o   5.1230   0.6559   6.0440   0.7815   4.2010   1.0540 1.844000 1.312000 
1 1 1  -34   22    1 o   2.5430   0.7820   2.5760   1.1490   2.5100   1.0620 0.6556000E-01 1.564000 
1 1 1  -34   22    2 o   6.3520   0.5416   6.1900   0.8063   6.5130   0.7234 -0.3234000 1.083000 
1 1 1  -34   22    3 o   7.7960   0.5084   8.4340   0.5894   7.1580   0.8285 1.276000 1.017000 
1 1 1  -34   22    4 o   8.5610   0.3945   7.9130   0.5128   9.2090   0.5996 -1.296000 0.7890000 
1 1 1  -34   22    5 o   4.6160   0.6970   4.2490   0.9194   4.9820   1.0480 -0.7322000 1.394000 
1 1 1  -34   22    6 o   6.9940   0.4028   6.2280   0.6137   7.7600   0.5219 -1.532000 0.8057000 
1 1 1  -34   22    7 o   9.7890   0.2994   10.230   0.3992   9.3440   0.4463 0.8908000 0.5988000 
1 1 1  -34   22    8 o   5.0290   0.5962   5.2850   0.8523   4.7730   0.8339 0.5122000 1.192000 
1 1 1  -34   22    9 o   4.3930   0.6747   4.8960   0.9224   3.8900   0.9849 1.006000 1.349000 
1 1 1  -34   22   10 o   10.060   0.3394   10.250   0.4743   9.8790   0.4856 0.3680000 0.6788000 
1 1 1  -34   22   11 o   13.310   0.2849   13.840   0.3979   12.790   0.4079 1.052000 0.5698000 
1 1 1  -34   22   12 f   8.4510   0.3906   8.7500   0.5448   8.1520   0.5600 0.5975000 0.7813000 
1 1 1  -34   22   13 o   2.3240   0.7046   2.1780   0.9738   2.4700   1.0190 -0.2916000 1.409000 
1 1 1  -34   22   14 o   6.9450   0.4291   7.0550   0.6431   6.8350   0.5684 0.2193000 0.8583000 
1 1 1  -34   22   15 o   5.3840   0.5625   4.9750   0.9070   5.7930   0.6656 -0.8183000 1.125000 
1 1 1  -34   22   16 o   3.4170   0.7998   3.7090   1.2080   3.1250   1.0480 0.5843000 1.600000 
1 1 1  -34   22   17 o   2.1270   0.6855   1.8500   0.8954   2.4050   1.0380 -0.5550000 1.371000 
1 1 1  -34   22   18 o   2.5890   0.7719   2.8200   1.1420   2.3570   1.0380 0.4628000 1.544000 
1 1 1  -34   22   19 o   2.8560   0.7367   3.4330   1.1040   2.2780   0.9756 1.155000 1.473000 
1 1 1  -34   22   20 o   3.7070   0.7313   3.1210   1.1090   4.2920   0.9534 -1.171000 1.463000 
1 1 1  -34   22   21 o   6.4550   0.4951   6.7940   0.7127   6.1170   0.6876 0.6766000 0.9903000 
1 1 1  -34   24    1 o   2.7210   0.7954   2.6650   1.1490   2.7760   1.1010 -0.1110000 1.591000 
1 1 1  -34   24    2 o   2.9750   0.7828   3.3870   1.1420   2.5640   1.0710 0.8227000 1.566000 
1 1 1  -34   24    3 o   6.6770   0.4486   6.9350   0.6088   6.4180   0.6590 0.5170000 0.8971000 
1 1 1  -34   24    4 o   9.1520   0.3578   9.0460   0.4793   9.2580   0.5314 -0.2121000 0.7156000 
1 1 1  -34   24    5 o   3.8720   0.7917   3.8590   1.0300   3.8840   1.2030 -0.2518000E-01 1.583000 
1 1 1  -34   24    6 o   6.4050   0.5316   6.4940   0.6423   6.3160   0.8473 0.1782000 1.063000 
1 1 1  -34   24    7 o   6.3330   0.4946   7.0540   0.6625   5.6120   0.7347 1.442000 0.9893000 
1 1 1  -34   24    8 o   5.3500   0.7212   4.6920   1.2060   6.0070   0.7917 -1.315000 1.442000 
1 1 1  -34   24    9 o   3.4760   0.7909   4.5370   1.1960   2.4150   1.0360 2.122000 1.582000 
1 1 1  -34   24   10 o   3.7730   0.8253   3.5790   1.2280   3.9670   1.1030 -0.3881000 1.651000 
1 1 1  -34   24   11 o   3.6250   0.8288   3.8840   1.1980   3.3650   1.1460 0.5194000 1.658000 
1 1 1  -34   24   12 o   8.7150   0.4354   8.1310   0.6869   9.3000   0.5353 -1.169000 0.8708000 
1 1 1  -34   24   13 o   3.7350   0.7436   4.4430   1.0530   3.0280   1.0500 1.415000 1.487000 
1 1 1  -34   24   14 o   2.5260   0.7216   3.0100   1.1170   2.0420   0.9133 0.9673000 1.443000 
1 1 1  -34   24   15 o   6.3940   0.4992   6.2290   0.7755   6.5590   0.6288 -0.3296000 0.9984000 
1 1 1  -34   24   16 o   2.5750   0.7378   2.8190   1.0990   2.3300   0.9843 0.4895000 1.476000 
1 1 1  -34   24   17 o   3.6240   0.7440   3.1420   1.1250   4.1070   0.9739 -0.9648000 1.488000 
1 1 1  -34   24   18 o   3.0030   0.8315   3.1400   1.2300   2.8650   1.1190 0.2750000 1.663000 
1 1 1  -34   26    1 o   3.1270   0.7867   2.8300   1.1390   3.4240   1.0860 -0.5941000 1.573000 
1 1 1  -34   26    2 o   3.6200   0.7581   4.0220   1.0550   3.2190   1.0890 0.8029000 1.516000 
1 1 1  -34   26    3 o   3.0150   0.7596   3.3130   1.0970   2.7180   1.0510 0.5952000 1.519000 
1 1 1  -34   26    4 o   2.2630   0.6927   2.4020   1.0120   2.1240   0.9457 0.2779000 1.385000 
1 1 1  -34   26    5 o   4.4390   0.6781   4.9690   0.8698   3.9080   1.0410 1.061000 1.356000 
1 1 1  -34   26    6 o   4.4350   0.7521   5.0700   0.8563   3.8000   1.2370 1.270000 1.504000 
1 1 1  -34   26    7 o   5.0810   0.7037   6.0340   0.7019   4.1280   1.2200 1.907000 1.407000 
1 1 1  -34   26    8 o   5.4370   0.6398   4.6780   1.0710   6.1970   0.6996 -1.519000 1.280000 
1 1 1  -34   26    9 o   5.3640   0.6387   4.8970   1.0430   5.8320   0.7373 -0.9351000 1.277000 
1 1 1  -34   26   10 o   2.6700   0.7520   2.4980   1.0700   2.8420   1.0570 -0.3442000 1.504000 
1 1 1  -34   26   11 o   2.3270   0.7132   2.2950   1.0240   2.3590   0.9935 -0.6384000E-01 1.426000 
1 1 1  -34   26   12 o   2.6140   0.7579   2.6710   1.1050   2.5580   1.0370 0.1128000 1.516000 
1 1 1  -34   26   13 o   2.8100   0.7643   3.2620   1.1620   2.3580   0.9933 0.9033000 1.529000 
1 1 1  -33    1    1 o   23.560   0.1952   23.780   0.2808   23.330   0.2712 0.4464000 0.3904000 
1 1 1  -33    1    2 o   50.010   0.3271   49.840   0.5057   50.190   0.4149 -0.3554000 0.6541000 
1 1 1  -33    1    3 f   44.800   0.3678   44.190   0.6324   45.420   0.3757 -1.225000 0.7356000 
1 1 1  -33    1    4 o   38.360   0.2783  ?   ?    38.360   0.2783      ?      ? 
1 1 1  -33    1    5 o   37.910   0.3376   37.800   0.5504   38.030   0.3910 -0.2297000 0.6752000 
1 1 1  -33    1    6 o   29.740   0.2219   30.010   0.3160   29.480   0.3118 0.5306000 0.4439000 
1 1 1  -33    1    7 o   32.150   0.2756   32.470   0.4797   31.830   0.2713 0.6376000 0.5511000 
1 1 1  -33    1    8 o   19.260   0.1461   18.990   0.2259   19.530   0.1854 -0.5404000 0.2923000 
1 1 1  -33    1    9 f   27.350   0.1598   26.980   0.2071   27.720   0.2434 -0.7405000 0.3196000 
1 1 1  -33    1   10 o   44.450   0.2625   44.460   0.3715   44.440   0.3710 0.2098000E-01 0.5250000 
1 1 1  -33    1   11 f   18.910   0.1255   19.140   0.1784   18.680   0.1765 0.4593000 0.2510000 
1 1 1  -33    1   12 o   20.560   0.1335   20.570   0.1884   20.550   0.1891 0.1479000E-01 0.2669000 
1 1 1  -33    1   13 o   39.140   0.2061   39.110   0.2911   39.180   0.2917 -0.6506000E-01 0.4121000 
1 1 1  -33    1   14 o   5.9650   0.3089   5.6920   0.4664   6.2370   0.4051 -0.5454000 0.6177000 
1 1 1  -33    1   15 o   41.070   0.2518   40.960   0.3550   41.190   0.3573 -0.2250000 0.5036000 
1 1 1  -33    1   16 f   18.340   0.1631   18.180   0.2120   18.500   0.2479 -0.3205000 0.3262000 
1 1 1  -33    1   17 o   20.290   0.1884   20.260   0.2170   20.320   0.3081 -0.5948000E-01 0.3768000 
1 1 1  -33    1   18 o   33.860   0.2734   33.660   0.3850   34.060   0.3883 -0.4030000 0.5468000 
1 1 1  -33    1   19 o   44.760   0.2943   44.720   0.4809   44.790   0.3394 -0.7001000E-01 0.5886000 
1 1 1  -33    1   20 o   24.180   0.1789   23.940   0.2690   24.430   0.2359 -0.4842000 0.3578000 
1 1 1  -33    1   21 o   11.790   0.1958   11.950   0.2750   11.630   0.2789 0.3205000 0.3917000 
1 1 1  -33    1   22 o   30.650   0.2176   30.710   0.3077   30.590   0.3078 0.1211000 0.4353000 
1 1 1  -33    1   23 o   12.010   0.2393   12.070   0.3404   11.950   0.3364 0.1145000 0.4786000 
1 1 1  -33    1   24 o   17.220   0.1778   17.210   0.2530   17.240   0.2498 -0.3319000E-01 0.3556000 
1 1 1  -33    1   25 o   10.390   0.2505   10.060   0.3432   10.710   0.3648 -0.6491000 0.5009000 
1 1 1  -33    1   26 o   12.920   0.2252   12.870   0.2971   12.960   0.3386 -0.8871000E-01 0.4505000 
1 1 1  -33    1   27 o   6.1690   0.6751   6.6470   0.7293   5.6910   1.1360 0.9559000 1.350000 
1 1 1  -33    1   28 o   11.830   0.2492   11.680   0.3284   11.990   0.3750 -0.3054000 0.4984000 
1 1 1  -33    1   29 o   17.340   0.2115   17.540   0.2786   17.140   0.3182 0.4079000 0.4229000 
1 1 1  -33    1   30 o   4.3090   0.6189   3.5240   0.9577   5.0930   0.7841 -1.568000 1.238000 
1 1 1  -33    1   31 o   6.5200   0.4372   7.4800   0.4994   5.5610   0.7177 1.919000 0.8743000 
1 1 1  -33    1   32 o   6.3330   0.4427   5.9900   0.6263   6.6760   0.6259 -0.6862000 0.8855000 
1 1 1  -33    1   33 o   4.1670   1.5840   4.1670   1.5840  ?   ?       ?      ? 
1 1 1  -33    3    1 o   21.780   0.1917   21.590   0.2696   21.970   0.2725 -0.3859000 0.3833000 
1 1 1  -33    3    2 o   14.820   0.1567   14.630   0.2324   15.010   0.2104 -0.3800000 0.3135000 
1 1 1  -33    3    3 o   35.900   0.2302   36.120   0.3773   35.670   0.2639 0.4463000 0.4604000 
1 1 1  -33    3    4 o   48.400   0.4325   48.840   0.7104   47.960   0.4934 0.8789000 0.8649000 
1 1 1  -33    3    5 o   41.090   0.3713   41.110   0.6066   41.070   0.4284 0.4385000E-01 0.7426000 
1 1 1  -33    3    6 o   19.980   0.1868   20.040   0.2624   19.920   0.2658 0.1287000 0.3735000 
1 1 1  -33    3    7 o   30.430   0.2361   30.450   0.3337   30.410   0.3340 0.3905000E-01 0.4721000 
1 1 1  -33    3    8 o   41.880   0.2495   41.790   0.3523   41.980   0.3533 -0.1940000 0.4989000 
1 1 1  -33    3    9 o   17.800   0.1288   17.970   0.1692   17.630   0.1942 0.3469000 0.2576000 
1 1 1  -33    3   10 o   45.250   0.2686   45.590   0.3828   44.910   0.3769 0.6864000 0.5372000 
1 1 1  -33    3   11 o   34.380   0.1992   34.400   0.2602   34.360   0.3016 0.3704000E-01 0.3983000 
1 1 1  -33    3   12 o   38.750   0.3328   38.750   0.3328  ?   ?       ?      ? 
1 1 1  -33    3   13 o   28.660   0.2105   29.090   0.2709   28.230   0.3222 0.8529000 0.4210000 
1 1 1  -33    3   14 o   37.540   0.2181   37.860   0.2873   37.230   0.3282 0.6268000 0.4362000 
1 1 1  -33    3   15 o   19.410   0.1947   19.520   0.2464   19.300   0.3015 0.2226000 0.3894000 
1 1 1  -33    3   16 o   26.820   0.2044   26.460   0.2326   27.180   0.3362 -0.7216000 0.4089000 
1 1 1  -33    3   17 o   14.310   0.1763   14.600   0.2317   14.030   0.2658 0.5676000 0.3526000 
1 1 1  -33    3   18 o   33.920   0.2091   33.720   0.2734   34.130   0.3164 -0.4127000 0.4181000 
1 1 1  -33    3   19 o   24.830   0.1932   25.160   0.2774   24.490   0.2689 0.6704000 0.3864000 
1 1 1  -33    3   20 o   2.7470   0.6910   2.5900   1.0280   2.9050   0.9233 -0.3149000 1.382000 
1 1 1  -33    3   21 o   22.270   0.2162   22.510   0.3380   22.020   0.2696 0.4880000 0.4324000 
1 1 1  -33    3   22 o   28.940   0.2381   29.180   0.3023   28.690   0.3679 0.4942000 0.4762000 
1 1 1  -33    3   23 o   3.3800   0.6661   2.9730   0.9919   3.7870   0.8894 -0.8141000 1.332000 
1 1 1  -33    3   24 o   15.540   0.1978   15.360   0.2639   15.730   0.2946 -0.3631000 0.3955000 
1 1 1  -33    3   25 o   5.7500   0.4205   5.9560   0.5513   5.5430   0.6352 0.4136000 0.8411000 
1 1 1  -33    3   26 o   11.730   0.2780   12.250   0.3641   11.200   0.4203 1.046000 0.5561000 
1 1 1  -33    3   27 o   10.940   0.3072   10.710   0.3908   11.170   0.4741 -0.4589000 0.6144000 
1 1 1  -33    3   28 o   22.330   0.2020   22.390   0.2668   22.280   0.3034 0.1144000 0.4040000 
1 1 1  -33    3   29 o   18.330   0.2101   18.330   0.2786   18.320   0.3145 0.1274000E-01 0.4201000 
1 1 1  -33    3   30 o   4.5670   0.5969   4.3650   0.8398   4.7690   0.8485 -0.4043000 1.194000 
1 1 1  -33    3   31 f   2.0250   0.6346   2.1000   0.9095   1.9490   0.8854 0.1505000 1.269000 
1 1 1  -33    3   32 o   12.610   0.2601   12.980   0.3418   12.250   0.3920 0.7361000 0.5201000 
1 1 1  -33    5    1 o   41.400   0.2497   41.620   0.3549   41.170   0.3514 0.4503000 0.4994000 
1 1 1  -33    5    2 o   14.450   0.2747  ?   ?    14.450   0.2747      ?      ? 
1 1 1  -33    5    3 o   22.570   0.1606   22.880   0.2552   22.250   0.1949 0.6343000 0.3211000 
1 1 1  -33    5    4 o   41.290   0.2586   41.090   0.4180   41.490   0.3045 -0.4041000 0.5172000 
1 1 1  -33    5    5 o   33.910   0.2308   32.880   0.3518   34.940   0.2988 -2.054000 0.4616000 
1 1 1  -33    5    6 o   16.400   0.1422   16.740   0.2038   16.070   0.1983 0.6701000 0.2844000 
1 1 1  -33    5    7 o   26.300   0.1623   26.070   0.2463   26.520   0.2113 -0.4472000 0.3245000 
1 1 1  -33    5    8 o   45.750   0.2549   45.440   0.3841   46.060   0.3351 -0.6125000 0.5097000 
1 1 1  -33    5    9 o   19.000   0.1815   18.620   0.2542   19.380   0.2592 -0.7643000 0.3631000 
1 1 1  -33    5   10 o   22.230   0.1969   21.930   0.2767   22.530   0.2802 -0.6019000 0.3938000 
1 1 1  -33    5   11 o   55.620   0.3283   55.630   0.4625   55.610   0.4661 0.1902000E-01 0.6566000 
1 1 1  -33    5   12 o   23.530   0.1641   23.570   0.2133   23.500   0.2494 0.7074000E-01 0.3282000 
1 1 1  -33    5   13 o   18.420   0.1968   18.930   0.2425   17.900   0.3101 1.029000 0.3937000 
1 1 1  -33    5   14 f   30.010   0.2175   30.170   0.2506   29.850   0.3556 0.3162000 0.4350000 
1 1 1  -33    5   15 o   27.450   0.2216   27.650   0.2814   27.250   0.3423 0.3994000 0.4431000 
1 1 1  -33    5   16 o   5.3820   0.3836   5.6450   0.4887   5.1190   0.5913 0.5260000 0.7671000 
1 1 1  -33    5   17 o   7.2750   0.2876   7.2970   0.3883   7.2530   0.4244 0.4391000E-01 0.5752000 
1 1 1  -33    5   18 o   11.710   0.2036   11.670   0.2775   11.750   0.2981 -0.7537000E-01 0.4073000 
1 1 1  -33    5   19 o   55.750   0.3147   55.790   0.4124   55.710   0.4754 0.7454000E-01 0.6294000 
1 1 1  -33    5   20 o   23.780   0.1953   24.030   0.2779   23.520   0.2745 0.5160000 0.3906000 
1 1 1  -33    5   21 o   16.780   0.2462   16.830   0.3552   16.730   0.3410 0.9555000E-01 0.4924000 
1 1 1  -33    5   22 o   9.7400   0.3078   9.6010   0.4940   9.8790   0.3674 -0.2779000 0.6156000 
1 1 1  -33    5   23 o   7.4760   0.3417   7.5060   0.4868   7.4460   0.4797 0.5997000E-01 0.6835000 
1 1 1  -33    5   24 o   3.9560   0.6016   4.1180   0.7912   3.7930   0.9066 0.3250000 1.203000 
1 1 1  -33    5   25 o   9.4200   0.3260   9.4390   0.4530   9.4000   0.4690 0.3932000E-01 0.6520000 
1 1 1  -33    5   26 o   3.5050   0.7322   3.9410   1.0150   3.0680   1.0560 0.8724000 1.464000 
1 1 1  -33    5   27 o   9.1450   0.3535   8.6450   0.4732   9.6460   0.5253 -1.001000 0.7070000 
1 1 1  -33    5   28 o   8.8690   0.3074   8.9170   0.4168   8.8210   0.4519 0.9590000E-01 0.6148000 
1 1 1  -33    5   29 o   14.380   0.2309   14.410   0.3054   14.340   0.3465 0.6165000E-01 0.4618000 
1 1 1  -33    5   30 o   8.4870   0.3326   8.5050   0.4457   8.4690   0.4937 0.3574000E-01 0.6651000 
1 1 1  -33    5   31 o   4.3930   0.6469   4.6040   0.8388   4.1820   0.9851 0.4220000 1.294000 
1 1 1  -33    5   32 o   1.8200   0.5939   1.3920   0.6893   2.2490   0.9673 -0.8572000 1.188000 
1 1 1  -33    7    1 f   16.140   0.1663   16.400   0.2557   15.890   0.2128 0.5061000 0.3326000 
1 1 1  -33    7    2 o   20.040   0.1747   20.410   0.2624   19.670   0.2306 0.7436000 0.3493000 
1 1 1  -33    7    3 o   43.520   0.2746   42.710   0.4399   44.330   0.3287 -1.623000 0.5491000 
1 1 1  -33    7    4 o   37.840   0.2033   37.800   0.2870   37.890   0.2879 -0.8932000E-01 0.4065000 
1 1 1  -33    7    5 o   39.440   0.2448   39.300   0.3450   39.590   0.3473 -0.2870000 0.4896000 
1 1 1  -33    7    6 o   41.490   0.2877   41.650   0.4490   41.330   0.3598 0.3233000 0.5754000 
1 1 1  -33    7    7 f   20.180   0.1976   19.950   0.3106   20.410   0.2443 -0.4539000 0.3952000 
1 1 1  -33    7    8 o   32.400   0.1967   32.050   0.2963   32.750   0.2587 -0.6971000 0.3934000 
1 1 1  -33    7    9 o   39.010   0.2421   38.520   0.3405   39.510   0.3441 -0.9849000 0.4841000 
1 1 1  -33    7   10 o   16.870   0.1757   16.890   0.2480   16.850   0.2490 0.4433000E-01 0.3514000 
1 1 1  -33    7   11 o   12.270   0.2337   11.730   0.2970   12.820   0.3609 -1.091000 0.4674000 
1 1 1  -33    7   12 o   44.150   0.3059   43.820   0.3819   44.470   0.4780 -0.6466000 0.6118000 
1 1 1  -33    7   13 o   52.720   0.3573   52.220   0.4463   53.230   0.5581 -1.004000 0.7146000 
1 1 1  -33    7   14 o   30.250   0.2376   30.320   0.2996   30.180   0.3687 0.1413000 0.4751000 
1 1 1  -33    7   15 o   31.050   0.1991   31.090   0.2620   31.010   0.2999 0.7503000E-01 0.3983000 
1 1 1  -33    7   16 f   11.950   0.2075   12.270   0.2752   11.640   0.3106 0.6263000 0.4150000 
1 1 1  -33    7   17 o   16.620   0.1951   17.440   0.2805   15.810   0.2712 1.626000 0.3901000 
1 1 1  -33    7   18 o   24.960   0.1847   24.760   0.2428   25.160   0.2783 -0.3940000 0.3694000 
1 1 1  -33    7   19 o   6.9010   0.4129   7.6100   0.4502   6.1930   0.6924 1.416000 0.8259000 
1 1 1  -33    7   20 o   8.3150   0.2797   8.1650   0.3769   8.4640   0.4133 -0.2989000 0.5594000 
1 1 1  -33    7   21 o   15.640   0.1923   15.760   0.2571   15.520   0.2862 0.2380000 0.3847000 
1 1 1  -33    7   22 o   25.520   0.2315   25.260   0.3608   25.780   0.2902 -0.5187000 0.4630000 
1 1 1  -33    7   23 f   13.030   0.2638   13.340   0.4161   12.720   0.3244 0.6259000 0.5277000 
1 1 1  -33    7   24 o   9.3450   0.3508   9.4990   0.5198   9.1910   0.4712 0.3076000 0.7016000 
1 1 1  -33    7   25 o   2.2630   0.6761   2.4780   0.9954   2.0480   0.9154 0.4297000 1.352000 
1 1 1  -33    7   26 o   6.1630   0.4082   6.2860   0.5399   6.0410   0.6124 0.2457000 0.8164000 
1 1 1  -33    7   27 o   6.5490   0.4900   6.8390   0.5821   6.2600   0.7883 0.5789000 0.9799000 
1 1 1  -33    7   28 o   16.280   0.2178   16.270   0.2934   16.290   0.3219 -0.2429000E-01 0.4355000 
1 1 1  -33    7   29 o   2.0790   0.6314   1.5300   0.7396   2.6290   1.0240 -1.099000 1.263000 
1 1 1  -33    7   30 o   4.9450   0.5730   5.6950   0.6302   4.1940   0.9572 1.501000 1.146000 
1 1 1  -33    7   31 o   8.0240   0.3536   7.7190   0.4858   8.3300   0.5140 -0.6108000 0.7073000 
1 1 1  -33    7   32 o   2.4790   0.7860   2.9670   1.2150   1.9900   0.9972 0.9770000 1.572000 
1 1 1  -33    9    1 o   27.750   0.1858   27.400   0.2758   28.100   0.2489 -0.6997000 0.3715000 
1 1 1  -33    9    2 o   33.350   0.2055   33.370   0.3092   33.330   0.2708 0.3772000E-01 0.4110000 
1 1 1  -33    9    3 o   14.920   0.1691   15.200   0.2506   14.640   0.2270 0.5586000 0.3381000 
1 1 1  -33    9    4 o   13.750   0.1606   13.820   0.2240   13.690   0.2303 0.1252000 0.3213000 
1 1 1  -33    9    5 f   18.220   0.1521   18.250   0.2123   18.180   0.2179 0.6576000E-01 0.3042000 
1 1 1  -33    9    6 o   18.240   0.2114   18.110   0.3391   18.360   0.2527 -0.2543000 0.4228000 
1 1 1  -33    9    7 o   22.320   0.1797   22.210   0.2591   22.440   0.2491 -0.2355000 0.3594000 
1 1 1  -33    9    8 o   10.890   0.2128   10.680   0.3267   11.090   0.2728 -0.4057000 0.4256000 
1 1 1  -33    9    9 o   6.7210   0.4194   6.9240   0.4834   6.5190   0.6854 0.4049000 0.8387000 
1 1 1  -33    9   10 o   28.170   0.2314   28.360   0.2882   27.990   0.3622 0.3617000 0.4629000 
1 1 1  -33    9   11 o   21.550   0.2152   21.380   0.2681   21.710   0.3368 -0.3331000 0.4305000 
1 1 1  -33    9   12 o   32.560   0.2500   32.750   0.3160   32.360   0.3874 0.3845000 0.5000000 
1 1 1  -33    9   13 o   8.8470   0.2857   9.1240   0.4006   8.5700   0.4076 0.5542000 0.5715000 
1 1 1  -33    9   14 o   21.540   0.1942   21.340   0.2784   21.740   0.2709 -0.4030000 0.3885000 
1 1 1  -33    9   15 o   15.870   0.2055   15.920   0.2953   15.820   0.2860 0.1074000 0.4111000 
1 1 1  -33    9   16 o   5.4940   0.4641   5.6650   0.6476   5.3230   0.6649 0.3420000 0.9282000 
1 1 1  -33    9   17 o   4.8570   0.6423   4.3220   0.9727   5.3930   0.8392 -1.070000 1.285000 
1 1 1  -33    9   18 o   3.1300   0.7363   3.2100   0.9902   3.0490   1.0900 0.1614000 1.473000 
1 1 1  -33    9   19 o   13.720   0.2271   13.790   0.3322   13.660   0.3098 0.1266000 0.4542000 
1 1 1  -33    9   20 o   19.180   0.1896   19.330   0.2550   19.030   0.2806 0.2997000 0.3791000 
1 1 1  -33    9   21 o   30.900   0.2111   30.550   0.2785   31.260   0.3172 -0.7050000 0.4221000 
1 1 1  -33    9   22 f   7.9410   0.3355   7.7420   0.4882   8.1390   0.4603 -0.3967000 0.6710000 
1 1 1  -33    9   23 o   11.920   0.2724   11.990   0.3658   11.840   0.4037 0.1530000 0.5448000 
1 1 1  -33    9   24 o   5.2140   0.6174   4.6810   1.0470   5.7480   0.6546 -1.066000 1.235000 
1 1 1  -33    9   25 o   13.930   0.2363   14.020   0.3370   13.840   0.3314 0.1775000 0.4727000 
1 1 1  -33    9   26 o   5.3110   0.6173   5.7210   0.7182   4.9020   1.0040 0.8199000 1.235000 
1 1 1  -33    9   27 o   14.660   0.2243   14.660   0.3027   14.660   0.3312 -0.6824000E-02 0.4487000 
1 1 1  -33    9   28 o   4.9700   0.5323   4.6500   0.7956   5.2900   0.7072 -0.6398000 1.065000 
1 1 1  -33    9   29 o   7.1810   0.3760   7.2520   0.5159   7.1100   0.5472 0.1416000 0.7520000 
1 1 1  -33    9   30 f   10.530   0.2888   10.490   0.3919   10.580   0.4242 -0.9143000E-01 0.5775000 
1 1 1  -33    9   31 o   8.7520   0.4106   9.1150   0.5051   8.3890   0.6475 0.7260000 0.8212000 
1 1 1  -33   11    1 f   40.250   0.2417   39.970   0.3618   40.540   0.3206 -0.5672000 0.4834000 
1 1 1  -33   11    2 o   8.4490   0.2821   8.1850   0.4252   8.7120   0.3709 -0.5275000 0.5642000 
1 1 1  -33   11    3 o   16.560   0.2052   16.420   0.2887   16.690   0.2918 -0.2770000 0.4105000 
1 1 1  -33   11    4 o   28.130   0.2115   28.240   0.3003   28.020   0.2978 0.2200000 0.4230000 
1 1 1  -33   11    5 o   13.270   0.2228   13.330   0.3153   13.210   0.3150 0.1230000 0.4456000 
1 1 1  -33   11    6 o   8.6500   0.3002   8.7800   0.4128   8.5200   0.4359 0.2600000 0.6003000 
1 1 1  -33   11    7 o   11.730   0.2848   11.810   0.3391   11.640   0.4577 0.1670000 0.5696000 
1 1 1  -33   11    8 o   28.700   0.2419   28.730   0.3002   28.670   0.3793 0.5964000E-01 0.4837000 
1 1 1  -33   11    9 o   28.710   0.2128   28.980   0.3022   28.440   0.2996 0.5344000 0.4255000 
1 1 1  -33   11   10 o   26.460   0.1929   26.430   0.2931   26.490   0.2508 -0.5625000E-01 0.3857000 
1 1 1  -33   11   11 o   27.850   0.1965   27.670   0.2962   28.030   0.2583 -0.3558000 0.3930000 
1 1 1  -33   11   12 o   22.950   0.1876   22.960   0.2848   22.940   0.2443 0.2374000E-01 0.3752000 
1 1 1  -33   11   13 o   26.570   0.2077   26.650   0.2956   26.490   0.2919 0.1664000 0.4154000 
1 1 1  -33   11   14 o   2.9890   0.7755   3.0330   1.0920   2.9460   1.1010 0.8708000E-01 1.551000 
1 1 1  -33   11   15 o   11.410   0.3158   11.290   0.4565   11.530   0.4366 -0.2412000 0.6316000 
1 1 1  -33   11   16 o   15.500   0.2182   15.400   0.3180   15.600   0.2990 -0.2024000 0.4364000 
1 1 1  -33   11   17 o   5.1210   0.5363   4.5900   0.8429   5.6520   0.6634 -1.062000 1.073000 
1 1 1  -33   11   18 o   11.230   0.2614   11.110   0.3733   11.350   0.3661 -0.2399000 0.5229000 
1 1 1  -33   11   19 o   12.200   0.2468   12.300   0.3552   12.090   0.3427 0.2147000 0.4936000 
1 1 1  -33   11   20 o   9.9380   0.3147   10.160   0.4806   9.7130   0.4065 0.4517000 0.6295000 
1 1 1  -33   11   21 o   14.840   0.3527   14.130   0.5984   15.550   0.3735 -1.424000 0.7054000 
1 1 1  -33   11   22 o   2.4420   0.7343   2.5140   1.0770   2.3710   0.9985 0.1429000 1.469000 
1 1 1  -33   11   23 o   11.770   0.2679   11.660   0.3947   11.890   0.3623 -0.2331000 0.5358000 
1 1 1  -33   11   24 o   5.7260   0.4657   5.5190   0.6644   5.9330   0.6526 -0.4143000 0.9313000 
1 1 1  -33   11   25 o   16.990   0.3914   16.730   0.6700   17.260   0.4050 -0.5324000 0.7829000 
1 1 1  -33   11   26 o   12.060   0.3542   12.020   0.5094   12.110   0.4924 -0.8887000E-01 0.7085000 
1 1 1  -33   11   27 o   8.9750   0.3233   8.2830   0.4736   9.6670   0.4402 -1.383000 0.6466000 
1 1 1  -33   11   28 o   2.9690   0.6782   2.1020   0.9171   3.8360   0.9995 -1.734000 1.356000 
1 1 1  -33   11   29 o   7.9560   0.3590   7.5660   0.5145   8.3470   0.5009 -0.7810000 0.7180000 
1 1 1  -33   11   30 o   5.4680   0.6792   6.2420   0.7479   4.6930   1.1340 1.549000 1.358000 
1 1 1  -33   13    1 o   12.880   0.2638   12.800   0.3724   12.960   0.3738 -0.1614000 0.5276000 
1 1 1  -33   13    2 o   16.560   0.2233   16.490   0.3329   16.630   0.2977 -0.1407000 0.4467000 
1 1 1  -33   13    3 o   20.710   0.1894   20.670   0.2782   20.740   0.2570 -0.6953000E-01 0.3787000 
1 1 1  -33   13    4 o   10.450   0.3213   9.9440   0.3514   10.950   0.5380 -1.007000 0.6426000 
1 1 1  -33   13    5 o   22.100   0.2276   22.070   0.2468   22.120   0.3824 -0.4558000E-01 0.4551000 
1 1 1  -33   13    6 o   11.440   0.2995   11.430   0.3096   11.450   0.5127 -0.1981000E-01 0.5989000 
1 1 1  -33   13    7 o   27.650   0.2349   27.500   0.3614   27.810   0.3003 -0.3103000 0.4699000 
1 1 1  -33   13    8 o   22.470   0.2249   22.380   0.3464   22.570   0.2871 -0.1853000 0.4499000 
1 1 1  -33   13    9 o   15.450   0.2396   15.170   0.3689   15.730   0.3059 -0.5620000 0.4793000 
1 1 1  -33   13   10 o   13.670   0.2541   13.560   0.3910   13.770   0.3246 -0.2086000 0.5082000 
1 1 1  -33   13   11 o   9.0870   0.3400   8.9740   0.5213   9.2000   0.4368 -0.2262000 0.6801000 
1 1 1  -33   13   12 o   4.8980   0.5209   5.1230   0.7535   4.6730   0.7196 0.4498000 1.042000 
1 1 1  -33   13   13 o   2.3180   0.6530   2.9390   1.0390   1.6980   0.7913 1.241000 1.306000 
1 1 1  -33   13   14 o   22.880   0.1956   22.680   0.2990   23.090   0.2522 -0.4115000 0.3912000 
1 1 1  -33   13   15 o   21.240   0.2098   21.010   0.2988   21.460   0.2946 -0.4539000 0.4196000 
1 1 1  -33   13   16 o   10.850   0.2747   10.660   0.3953   11.040   0.3815 -0.3824000 0.5494000 
1 1 1  -33   13   17 o   18.130   0.2160   18.070   0.3104   18.200   0.3005 -0.1382000 0.4320000 
1 1 1  -33   13   18 o   20.330   0.2145   20.300   0.3107   20.350   0.2959 -0.4865000E-01 0.4291000 
1 1 1  -33   13   19 o   4.1270   0.9012   4.4160   1.4550   3.8370   1.0640 0.5789000 1.802000 
1 1 1  -33   13   20 o   15.970   0.2330   16.280   0.3297   15.650   0.3292 0.6235000 0.4659000 
1 1 1  -33   13   21 o   5.6890   0.5007   5.4080   0.7630   5.9700   0.6484 -0.5619000 1.001000 
1 1 1  -33   13   22 o   14.150   0.2444   14.280   0.3466   14.020   0.3446 0.2561000 0.4888000 
1 1 1  -33   13   23 o   24.090   0.2240   24.190   0.3204   23.990   0.3132 0.2026000 0.4480000 
1 1 1  -33   13   24 o   9.2330   0.3724   9.2810   0.4858   9.1840   0.5646 0.9638000E-01 0.7448000 
1 1 1  -33   13   25 o   9.6180   0.3300   9.0320   0.5002   10.200   0.4306 -1.173000 0.6600000 
1 1 1  -33   13   26 o   12.880   0.3952   12.970   0.6958   12.790   0.3749 0.1742000 0.7904000 
1 1 1  -33   13   27 o   7.0260   0.4594   7.2230   0.6913   6.8290   0.6051 0.3940000 0.9188000 
1 1 1  -33   13   28 o   10.330   0.3027   10.810   0.4012   9.8430   0.4534 0.9713000 0.6054000 
1 1 1  -33   13   29 o   3.9360   0.7593   2.6190   1.0840   5.2540   1.0630 -2.635000 1.519000 
1 1 1  -33   15    1 o   4.7510   0.7494   4.3590   0.9229   5.1430   1.1810 -0.7841000 1.499000 
1 1 1  -33   15    2 o   16.910   0.2780   16.910   0.2780  ?   ?       ?      ? 
1 1 1  -33   15    3 o   19.890   0.2650   19.890   0.2650  ?   ?       ?      ? 
1 1 1  -33   15    4 o   17.540   0.2123   17.970   0.2622   17.120   0.3340 0.8479000 0.4246000 
1 1 1  -33   15    5 o   23.430   0.1838   23.270   0.2568   23.600   0.2632 -0.3276000 0.3677000 
1 1 1  -33   15    6 f   11.150   0.2357   11.230   0.3288   11.060   0.3376 0.1696000 0.4713000 
1 1 1  -33   15    7 o   17.660   0.2060   17.800   0.3104   17.510   0.2708 0.2824000 0.4120000 
1 1 1  -33   15    8 o   23.140   0.2004   23.060   0.3038   23.220   0.2615 -0.1637000 0.4009000 
1 1 1  -33   15    9 f   18.310   0.2040   18.460   0.3080   18.160   0.2675 0.2997000 0.4080000 
1 1 1  -33   15   10 o   11.740   0.2585   11.670   0.4025   11.810   0.3245 -0.1382000 0.5170000 
1 1 1  -33   15   11 o   10.550   0.2788   10.080   0.4387   11.010   0.3441 -0.9248000 0.5575000 
1 1 1  -33   15   12 o   7.2050   0.3744   7.3250   0.5657   7.0850   0.4906 0.2396000 0.7488000 
1 1 1  -33   15   13 o   8.5340   0.3234   8.3300   0.5011   8.7380   0.4089 -0.4079000 0.6468000 
1 1 1  -33   15   14 o   4.9890   0.5450   5.3340   0.7643   4.6430   0.7771 0.6910000 1.090000 
1 1 1  -33   15   15 f   17.810   0.2504   17.690   0.3978   17.940   0.3043 -0.2491000 0.5008000 
1 1 1  -33   15   16 o   24.860   0.3330   24.860   0.5548   24.860   0.3685 0.3656000E-02 0.6661000 
1 1 1  -33   15   17 o   9.9520   0.3559   9.6740   0.5638   10.230   0.4344 -0.5556000 0.7117000 
1 1 1  -33   15   18 o   6.6710   0.4394   6.6760   0.6413   6.6660   0.6007 0.1013000E-01 0.8787000 
1 1 1  -33   15   19 o   7.5270   0.3878   7.4350   0.5622   7.6190   0.5343 -0.1840000 0.7756000 
1 1 1  -33   15   20 o   6.7220   0.4376   6.2990   0.6748   7.1460   0.5573 -0.8473000 0.8752000 
1 1 1  -33   15   21 o   3.6650   0.7215   4.2630   0.9684   3.0670   1.0700 1.196000 1.443000 
1 1 1  -33   15   22 o   20.200   0.2277   19.830   0.3198   20.570   0.3243 -0.7374000 0.4554000 
1 1 1  -33   15   23 o   8.4950   0.4170   8.4020   0.5224   8.5890   0.6501 -0.1872000 0.8340000 
1 1 1  -33   15   24 o   3.7510   0.7210   4.4770   0.9647   3.0240   1.0720 1.453000 1.442000 
1 1 1  -33   15   25 o   6.2100   0.4892   6.0970   0.7248   6.3240   0.6571 -0.2268000 0.9783000 
1 1 1  -33   15   26 o   6.8660   0.6406  ?   ?    6.8660   0.6406      ?      ? 
1 1 1  -33   15   27 o   11.980   0.4962   11.870   0.8349   12.080   0.5366 -0.2053000 0.9924000 
1 1 1  -33   15   28 o   10.100   0.3832   9.9570   0.6065   10.240   0.4684 -0.2878000 0.7663000 
1 1 1  -33   17    1 o   4.3030   0.7761   4.0730   0.9985   4.5330   1.1880 -0.4603000 1.552000 
1 1 1  -33   17    2 o   8.0510   0.3669   7.9550   0.4865   8.1470   0.5495 -0.1918000 0.7339000 
1 1 1  -33   17    3 o   18.630   0.2339   18.200   0.2823   19.070   0.3730 -0.8715000 0.4678000 
1 1 1  -33   17    4 o   2.8540   0.6992   1.8300   0.8400   3.8780   1.1180 -2.048000 1.398000 
1 1 1  -33   17    5 o   18.400   0.1967   18.530   0.2738   18.270   0.2825 0.2527000 0.3934000 
1 1 1  -33   17    6 o   9.3420   0.2878   9.2080   0.4066   9.4760   0.4075 -0.2681000 0.5756000 
1 1 1  -33   17    7 f   12.410   0.2298   12.120   0.3260   12.710   0.3241 -0.5936000 0.4596000 
1 1 1  -33   17    8 o   3.6580   0.7144   3.6330   1.0720   3.6830   0.9450 -0.4968000E-01 1.429000 
1 1 1  -33   17    9 o   14.200   0.2765   14.150   0.4399   14.250   0.3351 -0.1076000 0.5530000 
1 1 1  -33   17   10 o   6.1410   0.5444   6.5760   0.8456   5.7060   0.6858 0.8695000 1.089000 
1 1 1  -33   17   11 o   8.1620   0.4296   8.2350   0.7040   8.0880   0.4924 0.1462000 0.8591000 
1 1 1  -33   17   12 o   6.5660   0.7661   6.9490   1.3140   6.1820   0.7874 0.7677000 1.532000 
1 1 1  -33   17   13 o   8.2360   0.4272   8.3390   0.6626   8.1330   0.5396 0.2064000 0.8545000 
1 1 1  -33   17   14 o   10.450   0.3477   10.550   0.5326   10.340   0.4473 0.2142000 0.6955000 
1 1 1  -33   17   15 o   12.860   0.2540   12.800   0.3849   12.920   0.3315 -0.1151000 0.5080000 
1 1 1  -33   17   16 o   10.360   0.2896   10.230   0.4402   10.500   0.3763 -0.2676000 0.5791000 
1 1 1  -33   17   17 f   5.1260   0.5344   5.6240   0.7414   4.6280   0.7698 0.9963000 1.069000 
1 1 1  -33   17   18 o   14.490   0.2523   14.880   0.3532   14.110   0.3605 0.7709000 0.5047000 
1 1 1  -33   17   19 o   9.8020   0.3263   9.4680   0.4724   10.140   0.4502 -0.6676000 0.6526000 
1 1 1  -33   17   20 o   4.1130   0.7105   4.0880   1.0040   4.1370   1.0060 -0.4883000E-01 1.421000 
1 1 1  -33   17   21 o   10.260   0.3449   10.370   0.4415   10.140   0.5301 0.2301000 0.6899000 
1 1 1  -33   17   22 o   13.390   0.2689   13.380   0.3877   13.390   0.3729 -0.8992000E-02 0.5379000 
1 1 1  -33   17   23 o   5.6810   0.5465   6.0140   0.7326   5.3490   0.8110 0.6650000 1.093000 
1 1 1  -33   17   24 o   4.2720   0.6872   5.3710   0.8293   3.1730   1.0960 2.197000 1.374000 
1 1 1  -33   17   25 o   3.2210   0.8658   2.6960   1.1410   3.7460   1.3030 -1.049000 1.732000 
1 1 1  -33   17   26 o   2.2630   0.6888   2.7960   1.0970   1.7310   0.8334 1.065000 1.378000 
1 1 1  -33   19    1 o   5.3430   0.5823   4.7250   0.9577   5.9610   0.6626 -1.237000 1.165000 
1 1 1  -33   19    2 o   2.2700   0.6728   2.5540   1.0020   1.9870   0.8980 0.5672000 1.346000 
1 1 1  -33   19    3 o   6.6880   0.4165   6.4020   0.6064   6.9740   0.5710 -0.5722000 0.8329000 
1 1 1  -33   19    4 o   10.580   0.3227   10.560   0.3828   10.590   0.5197 -0.3203000E-01 0.6454000 
1 1 1  -33   19    5 o   7.0950   0.4356   6.6090   0.5652   7.5800   0.6628 -0.9708000 0.8711000 
1 1 1  -33   19    6 o   10.040   0.3237   9.6640   0.4674   10.410   0.4480 -0.7456000 0.6475000 
1 1 1  -33   19    7 o   4.8830   0.5472   4.3700   0.8402   5.3960   0.7015 -1.026000 1.094000 
1 1 1  -33   19    8 o   4.2170   0.6748   4.2970   0.9937   4.1360   0.9131 0.1612000 1.350000 
1 1 1  -33   19    9 o   8.2300   0.3585   8.0280   0.5533   8.4320   0.4561 -0.4044000 0.7171000 
1 1 1  -33   19   10 o   16.820   0.2250   16.770   0.3437   16.880   0.2905 -0.1141000 0.4500000 
1 1 1  -33   19   11 o   13.240   0.2551   13.540   0.3908   12.940   0.3280 0.5994000 0.5102000 
1 1 1  -33   19   12 o   12.600   0.2627   12.690   0.4067   12.510   0.3325 0.1772000 0.5253000 
1 1 1  -33   19   13 o   2.8800   0.7258   3.3430   1.0880   2.4180   0.9612 0.9252000 1.452000 
1 1 1  -33   19   14 o   9.0560   0.3362   9.4160   0.5020   8.6960   0.4472 0.7200000 0.6723000 
1 1 1  -33   19   15 o   15.690   0.2344   15.540   0.3570   15.850   0.3039 -0.3032000 0.4688000 
1 1 1  -33   19   16 o   6.9320   0.4198   6.8570   0.6347   7.0080   0.5497 -0.1510000 0.8396000 
1 1 1  -33   19   17 o   7.5950   0.3923   7.2550   0.6096   7.9360   0.4940 -0.6811000 0.7846000 
1 1 1  -33   19   18 o   3.6740   0.7265   4.1930   0.9846   3.1540   1.0680 1.039000 1.453000 
1 1 1  -33   19   19 o   3.2110   0.7547   3.0270   1.0680   3.3950   1.0660 -0.3679000 1.509000 
1 1 1  -33   19   20 o   13.070   0.2785   12.940   0.3964   13.200   0.3912 -0.2663000 0.5569000 
1 1 1  -33   19   21 o   7.6790   0.4196   6.9420   0.6357   8.4160   0.5478 -1.474000 0.8392000 
1 1 1  -33   19   22 o   7.3400   0.5517   7.3080   0.7451   7.3710   0.8137 -0.6327000E-01 1.103000 
1 1 1  -33   19   23 o   3.8280   0.8336   2.8570   1.1630   4.8000   1.1950 -1.942000 1.667000 
1 1 1  -33   19   24 o   3.0460   0.6987   2.0270   0.9332   4.0640   1.0400 -2.037000 1.397000 
1 1 1  -33   19   25 o   1.8940   0.6561   2.2320   1.0450   1.5560   0.7934 0.6754000 1.312000 
1 1 1  -33   21    1 o   5.0160   0.6236   4.7020   0.9789   5.3290   0.7727 -0.6265000 1.247000 
1 1 1  -33   21    2 o   11.230   0.2798   11.140   0.3958   11.310   0.3956 -0.1689000 0.5596000 
1 1 1  -33   21    3 o   8.7390   0.3314   8.6320   0.4661   8.8450   0.4713 -0.2129000 0.6629000 
1 1 1  -33   21    4 o   4.6330   0.6035   4.3590   0.8824   4.9080   0.8235 -0.5495000 1.207000 
1 1 1  -33   21    5 o   6.1420   0.5232   6.3210   0.5877   5.9640   0.8657 0.3575000 1.046000 
1 1 1  -33   21    6 o   9.6890   0.3454   9.2100   0.4295   10.170   0.5410 -0.9581000 0.6908000 
1 1 1  -33   21    7 o   4.3720   0.6945   3.6480   0.9695   5.0970   0.9948 -1.449000 1.389000 
1 1 1  -33   21    8 o   5.3550   0.5778   4.8530   0.9405   5.8570   0.6714 -1.004000 1.156000 
1 1 1  -33   21    9 o   3.6850   0.7399   3.5000   1.1080   3.8700   0.9806 -0.3701000 1.480000 
1 1 1  -33   21   10 o   10.970   0.2966   11.080   0.4431   10.850   0.3943 0.2351000 0.5931000 
1 1 1  -33   21   11 o   4.9950   0.5963   5.3260   0.8679   4.6650   0.8181 0.6607000 1.193000 
1 1 1  -33   21   12 o   5.8310   0.5298   5.3010   0.8765   6.3610   0.5952 -1.060000 1.060000 
1 1 1  -33   21   13 o   6.9820   0.4404   8.3170   0.5513   5.6470   0.6870 2.670000 0.8809000 
1 1 1  -33   21   14 o   2.3330   0.7065   2.4880   1.0290   2.1790   0.9679 0.3094000 1.413000 
1 1 1  -33   21   15 o   11.880   0.3035   12.060   0.4268   11.700   0.4316 0.3553000 0.6070000 
1 1 1  -33   21   16 f   7.4510   0.4164   6.9220   0.6574   7.9800   0.5113 -1.058000 0.8328000 
1 1 1  -33   21   17 o   1.6280   0.5549   1.4610   0.7263   1.7950   0.8392 -0.3338000 1.110000 
1 1 1  -33   21   18 o   2.0880   0.6499   1.7850   0.8505   2.3910   0.9829 -0.6063000 1.300000 
1 1 1  -33   21   19 o   2.3680   0.7407   2.4380   1.0750   2.2990   1.0200 0.1391000 1.481000 
1 1 1  -33   21   20 o   6.6970   0.5607   7.3920   0.7447   6.0020   0.8386 1.389000 1.121000 
1 1 1  -33   21   21 o   11.080   0.3092   10.940   0.4720   11.220   0.3994 -0.2740000 0.6183000 
1 1 1  -33   21   22 o   2.5810   0.7516   2.5640   1.0620   2.5980   1.0640 -0.3424000E-01 1.503000 
1 1 1  -33   23    1 o   2.2080   0.6770   1.8510   0.8834   2.5650   1.0260 -0.7141000 1.354000 
1 1 1  -33   23    2 o   3.4720   0.7258   2.8960   1.0570   4.0490   0.9945 -1.153000 1.452000 
1 1 1  -33   23    3 o   6.3520   0.4729   7.3110   0.5552   5.3930   0.7656 1.918000 0.9457000 
1 1 1  -33   23    4 f   6.2340   0.4599   5.8780   0.6947   6.5910   0.6028 -0.7124000 0.9198000 
1 1 1  -33   23    5 o   3.2290   0.7096   3.8730   0.9934   2.5850   1.0140 1.288000 1.419000 
1 1 1  -33   23    6 o   3.8530   0.8259   4.2770   1.0880   3.4290   1.2430 0.8478000 1.652000 
1 1 1  -33   23    7 o   3.4150   0.8757   3.4930   1.1300   3.3370   1.3380 0.1557000 1.751000 
1 1 1  -33   23    8 f   3.6750   0.8102   4.0400   1.0910   3.3100   1.1980 0.7301000 1.620000 
1 1 1  -33   23    9 o   10.790   0.3044   10.530   0.4661   11.050   0.3916 -0.5289000 0.6088000 
1 1 1  -33   23   10 o   13.560   0.2628   13.820   0.3908   13.290   0.3516 0.5344000 0.5257000 
1 1 1  -33   23   11 o   3.0560   0.7680   3.2100   1.1370   2.9020   1.0330 0.3082000 1.536000 
1 1 1  -33   23   12 o   7.1260   0.4385   7.3820   0.6513   6.8700   0.5873 0.5126000 0.8770000 
1 1 1  -33   23   13 o   7.2820   0.4640   7.6640   0.7272   6.9000   0.5766 0.7644000 0.9280000 
1 1 1  -33   23   14 o   2.1760   0.6983   2.5960   1.1110   1.7550   0.8465 0.8408000 1.397000 
1 1 1  -33   23   15 o   7.6600   0.4955   6.9460   0.8000   8.3750   0.5849 -1.429000 0.9910000 
1 1 1  -33   23   16 o   3.0810   0.7536   2.7320   1.0860   3.4300   1.0450 -0.6982000 1.507000 
1 1 1  -33   23   17 o   2.1400   0.6603   1.7680   0.8501   2.5120   1.0110 -0.7442000 1.321000 
1 1 1  -33   23   18 o   2.0030   0.6470   2.3320   1.0120   1.6750   0.8059 0.6578000 1.294000 
1 1 1  -33   23   19 o   3.1140   0.7642   2.8250   1.0970   3.4030   1.0640 -0.5786000 1.528000 
1 1 1  -33   23   20 o   2.0220   0.6611   1.8020   0.8869   2.2430   0.9807 -0.4412000 1.322000 
1 1 1  -33   25    1 o   3.6280   0.7828   4.1730   1.1450   3.0820   1.0680 1.091000 1.566000 
1 1 1  -33   25    2 o   2.9910   0.7524   3.3480   1.0960   2.6350   1.0320 0.7135000 1.505000 
1 1 1  -33   25    3 o   8.3910   0.4035   8.5230   0.5726   8.2590   0.5687 0.2640000 0.8070000 
1 1 1  -33   25    4 o   3.9760   0.7760   4.1710   1.0880   3.7810   1.1070 0.3904000 1.552000 
1 1 1  -33   25    5 o   3.4050   0.7886   3.5940   1.1070   3.2160   1.1240 0.3776000 1.577000 
1 1 1  -33   25    6 o   2.8750   0.7655   2.4080   1.0330   3.3420   1.1300 -0.9344000 1.531000 
1 1 1  -33   25    7 o   4.4390   0.7046   4.6030   0.9320   4.2760   1.0570 0.3273000 1.409000 
1 1 1  -33   25    8 o   2.4040   0.7479   2.1340   0.9787   2.6730   1.1310 -0.5394000 1.496000 
1 1 1  -33   25    9 o   4.8500   0.7550   4.9330   1.0020   4.7660   1.1300 0.1666000 1.510000 
1 1 1  -33   25   10 o   3.7680   0.6883   2.6720   1.0840   4.8630   0.8479 -2.191000 1.377000 
1 1 1  -33   25   11 o   3.3400   0.7803   3.3390   1.1470   3.3410   1.0580 -0.1436000E-02 1.561000 
1 1 1  -33   25   12 o   8.0820   0.4256   7.5680   0.6855   8.5970   0.5047 -1.029000 0.8513000 
1 1 1  -33   25   13 o   2.0720   0.6661   2.1200   0.9699   2.0250   0.9132 0.9467000E-01 1.332000 
1 1 1  -33   25   14 o   1.9770   0.6465   2.1500   0.9748   1.8040   0.8496 0.3469000 1.293000 
1 1 1  -33   25   15 o   5.9530   0.5436   6.7280   0.7152   5.1770   0.8188 1.550000 1.087000 
1 1 1  -33   25   16 o   4.7520   0.6827   4.7510   1.0350   4.7530   0.8911 -0.2962000E-02 1.365000 
1 1 1  -33   27    1 o   2.6140   0.7470   2.3190   1.0400   2.9090   1.0730 -0.5902000 1.494000 
1 1 1  -33   27    2 o   2.9080   0.7164   2.1230   0.9604   3.6930   1.0630 -1.570000 1.433000 
1 1 1  -33   27    3 o   3.4100   0.7730   3.2530   1.1120   3.5680   1.0740 -0.3153000 1.546000 
1 1 1  -33   27    4 o   5.0880   0.6305   6.2250   0.7159   3.9500   1.0380 2.275000 1.261000 
1 1 1  -33   27    5 o   2.3820   0.6910   2.9380   1.0830   1.8270   0.8583 1.110000 1.382000 
1 1 1  -33   27    6 o   2.6690   0.7362   2.4950   1.0300   2.8430   1.0520 -0.3479000 1.472000 
1 1 1  -33   27    7 o   3.3260   0.7342   3.9860   1.0350   2.6670   1.0420 1.319000 1.468000 
1 1 1  -33   27    8 o   2.6400   0.7615   2.6500   1.1040   2.6310   1.0490 0.1886000E-01 1.523000 
1 1 1  -33   27    9 o   2.8130   0.7605   3.5780   1.1690   2.0490   0.9731 1.528000 1.521000 
1 1 1  -33   27   10 o   2.3420   0.7429   2.1680   0.9904   2.5160   1.1080 -0.3479000 1.486000 
1 1 1  -33   27   11 o   3.4330   1.2710  ?   ?    3.4330   1.2710      ?      ? 
1 1 1  -32    0    1 o   52.820   0.5360   52.820   0.5360   52.820   0.5360 -0.000000 0.000000 
1 1 1  -32    0    2 o   55.140   0.7862   55.140   0.7862   55.140   0.7862 -0.000000 0.000000 
1 1 1  -32    0    3 o   51.050   0.4204   51.050   0.4204   51.050   0.4204 -0.000000 0.000000 
1 1 1  -32    0    4 o   22.360   0.2468   22.360   0.2468   22.360   0.2468 -0.000000 0.000000 
1 1 1  -32    0    5 o   45.050   0.4567   45.050   0.4567   45.050   0.4567 -0.000000 0.000000 
1 1 1  -32    0    6 o   7.7540   0.1841   7.7540   0.1841   7.7540   0.1841 -0.000000 0.000000 
1 1 1  -32    0    7 o   2.0170   0.6034   2.0170   0.6034   2.0170   0.6034 -0.000000 0.000000 
1 1 1  -32    0    8 o   26.900   0.2022   26.900   0.2022   26.900   0.2022 -0.000000 0.000000 
1 1 1  -32    0    9 o   80.850   0.8083   80.850   0.8083   80.850   0.8083 -0.000000 0.000000 
1 1 1  -32    0   10 o   17.430   0.1663   17.430   0.1663   17.430   0.1663 -0.000000 0.000000 
1 1 1  -32    0   11 o   12.650   0.1786   12.650   0.1786   12.650   0.1786 -0.000000 0.000000 
1 1 1  -32    0   12 o   74.940   0.5314   74.940   0.5314   74.940   0.5314 -0.000000 0.000000 
1 1 1  -32    0   13 o   2.5480   0.8667   2.5480   0.8667   2.5480   0.8667 -0.000000 0.000000 
1 1 1  -32    0   14 o   29.930   0.3392   29.930   0.3392   29.930   0.3392 -0.000000 0.000000 
1 1 1  -32    0   15 o   12.080   0.2347   12.080   0.2347   12.080   0.2347 -0.000000 0.000000 
1 1 1  -32    0   16 o   3.9960   0.6832   3.9960   0.6832   3.9960   0.6832 -0.000000 0.000000 
1 1 1  -32    0   17 o   16.810   0.2219   16.810   0.2219   16.810   0.2219 -0.000000 0.000000 
1 1 1  -32    0   18 o   65.290   0.4717   65.290   0.4717   65.290   0.4717 -0.000000 0.000000 
1 1 1  -32    0   19 o   32.320   0.3118   32.320   0.3118   32.320   0.3118 -0.000000 0.000000 
1 1 1  -32    0   20 o   27.810   0.3534   27.810   0.3534   27.810   0.3534 -0.000000 0.000000 
1 1 1  -32    0   21 o   22.550   0.2740   22.550   0.2740   22.550   0.2740 -0.000000 0.000000 
1 1 1  -32    0   22 o   6.8840   0.6448   6.8840   0.6448   6.8840   0.6448 -0.000000 0.000000 
1 1 1  -32    0   23 o   4.9830   0.6432   4.9830   0.6432   4.9830   0.6432 -0.000000 0.000000 
1 1 1  -32    0   24 o   17.110   0.2527   17.110   0.2527   17.110   0.2527 -0.000000 0.000000 
1 1 1  -32    0   25 o   8.3990   0.3915   8.3990   0.3915   8.3990   0.3915 -0.000000 0.000000 
1 1 1  -32    0   26 o   1.3660   0.8976   1.3660   0.8976   1.3660   0.8976 -0.000000 0.000000 
1 1 1  -32    0   27 o   13.430   0.4218   13.430   0.4218   13.430   0.4218 -0.000000 0.000000 
1 1 1  -32    0   28 o   1.0270   0.7305   1.0270   0.7305   1.0270   0.7305 -0.000000 0.000000 
1 1 1  -32    0   29 o   13.490   0.3081   13.490   0.3081   13.490   0.3081 -0.000000 0.000000 
1 1 1  -32    0   30 o   5.9070   0.6148   5.9070   0.6148   5.9070   0.6148 -0.000000 0.000000 
1 1 1  -32    0   31 o   18.640   0.3241   18.640   0.3241   18.640   0.3241 -0.000000 0.000000 
1 1 1  -32    0   32 o   1.7680   1.1070   1.7680   1.1070   1.7680   1.1070 -0.000000 0.000000 
1 1 1  -32    0   33 o   1.8420   1.1380   1.8420   1.1380   1.8420   1.1380 -0.000000 0.000000 
1 1 1  -32    2    1 o   6.3950   0.2624   6.5940   0.3766   6.1960   0.3655 0.3979000 0.5248000 
1 1 1  -32    2    2 o   39.510   0.2495   39.370   0.4066   39.650   0.2895 -0.2836000 0.4991000 
1 1 1  -32    2    3 o   23.080   0.1596   23.000   0.2593   23.150   0.1862 -0.1506000 0.3192000 
1 1 1  -32    2    4 o   60.730   0.8697  ?   ?    60.730   0.8697      ?      ? 
1 1 1  -32    2    5 o   54.020   0.7768  ?   ?    54.020   0.7768      ?      ? 
1 1 1  -32    2    6 o   44.960   0.4613   44.490   0.6445   45.430   0.6602 -0.9386000 0.9226000 
1 1 1  -32    2    7 o   32.130   0.4880  ?   ?    32.130   0.4880      ?      ? 
1 1 1  -32    2    8 o   6.5980   0.1677   6.6260   0.2483   6.5710   0.2254 0.5464000E-01 0.3354000 
1 1 1  -32    2    9 o   37.610   0.2244   38.270   0.3214   36.940   0.3132 1.331000 0.4488000 
1 1 1  -32    2   10 o   38.220   0.2299   38.120   0.3244   38.330   0.3258 -0.2159000 0.4597000 
1 1 1  -32    2   11 o   48.390   0.2674   48.260   0.3490   48.520   0.4051 -0.2616000 0.5347000 
1 1 1  -32    2   12 o   33.300   0.2081   33.400   0.2955   33.210   0.2931 0.1922000 0.4162000 
1 1 1  -32    2   13 o   4.3110   0.4398   3.7070   0.6747   4.9140   0.5644 -1.207000 0.8797000 
1 1 1  -32    2   14 o   66.700   0.3648   67.050   0.4800   66.360   0.5494 0.6867000 0.7295000 
1 1 1  -32    2   15 o   33.850   0.2442   33.500   0.3053   34.210   0.3811 -0.7067000 0.4883000 
1 1 1  -32    2   16 o   17.000   0.1640   16.720   0.2167   17.270   0.2463 -0.5451000 0.3280000 
1 1 1  -32    2   17 o   45.460   0.2595   45.810   0.3425   45.120   0.3898 0.6954000 0.5189000 
1 1 1  -32    2   18 o   6.1900   0.3897   6.1950   0.4600   6.1860   0.6292 0.8588000E-02 0.7794000 
1 1 1  -32    2   19 o   32.130   0.2314   32.210   0.2683   32.060   0.3770 0.1569000 0.4628000 
1 1 1  -32    2   20 o   17.420   0.1781   17.450   0.2375   17.400   0.2654 0.4792000E-01 0.3562000 
1 1 1  -32    2   21 o   9.0650   0.3138   8.7360   0.5082   9.3940   0.3681 -0.6580000 0.6275000 
1 1 1  -32    2   22 o   27.340   0.2559   27.250   0.3615   27.420   0.3623 -0.1743000 0.5118000 
1 1 1  -32    2   23 f   19.640   0.1997   19.870   0.2838   19.400   0.2809 0.4645000 0.3993000 
1 1 1  -32    2   24 o   9.0510   0.2718   9.2640   0.3561   8.8370   0.4107 0.4268000 0.5435000 
1 1 1  -32    2   25 o   5.8250   0.4100   5.9260   0.5437   5.7250   0.6139 0.2005000 0.8201000 
1 1 1  -32    2   26 o   12.940   0.2647   12.730   0.3609   13.150   0.3873 -0.4233000 0.5294000 
1 1 1  -32    2   27 o   12.140   0.3460   12.320   0.3560   11.970   0.5934 0.3535000 0.6920000 
1 1 1  -32    2   28 o   12.430   0.2393   12.630   0.3148   12.230   0.3604 0.3947000 0.4785000 
1 1 1  -32    2   29 o   13.420   0.2371   13.490   0.3146   13.340   0.3548 0.1492000 0.4742000 
1 1 1  -32    2   30 f   8.7530   0.3264   9.0400   0.4171   8.4650   0.5022 0.5752000 0.6528000 
1 1 1  -32    2   31 o   8.4870   0.3333   8.2890   0.4608   8.6840   0.4817 -0.3957000 0.6666000 
1 1 1  -32    2   32 o   8.3770   0.3427   8.2380   0.4694   8.5170   0.4995 -0.2786000 0.6854000 
1 1 1  -32    2   33 o   7.6910   0.3958   7.0540   0.5675   8.3280   0.5519 -1.274000 0.7916000 
1 1 1  -32    4    1 o   32.010   0.2272   32.190   0.3520   31.830   0.2874 0.3653000 0.4545000 
1 1 1  -32    4    2 o   17.130   0.1423   17.620   0.1922   16.650   0.2098 0.9666000 0.2845000 
1 1 1  -32    4    3 o   23.250   0.1570   23.080   0.2149   23.420   0.2289 -0.3388000 0.3139000 
1 1 1  -32    4    4 o   35.900   0.2666  ?   ?    35.900   0.2666      ?      ? 
1 1 1  -32    4    5 o   41.720   0.2820   41.220   0.4330   42.220   0.3614 -1.000000 0.5641000 
1 1 1  -32    4    6 o   60.540   0.4347   60.720   0.6164   60.360   0.6131 0.3610000 0.8694000 
1 1 1  -32    4    7 o   31.790   0.2126   31.670   0.3510   31.900   0.2399 -0.2301000 0.4251000 
1 1 1  -32    4    8 o   38.480   0.2489   38.310   0.2819   38.660   0.4103 -0.3464000 0.4978000 
1 1 1  -32    4    9 o   52.330   0.2878   52.260   0.3757   52.400   0.4360 -0.1404000 0.5755000 
1 1 1  -32    4   10 o   6.7740   0.2334   6.9720   0.3234   6.5760   0.3367 0.3957000 0.4669000 
1 1 1  -32    4   11 o   16.210   0.1685   15.920   0.2173   16.500   0.2576 -0.5801000 0.3370000 
1 1 1  -32    4   12 o   38.630   0.2641   38.220   0.3304   39.050   0.4122 -0.8253000 0.5282000 
1 1 1  -32    4   13 o   42.810   0.2435   42.570   0.3165   43.040   0.3700 -0.4700000 0.4869000 
1 1 1  -32    4   14 o   6.3060   0.3042   6.2540   0.4017   6.3580   0.4570 -0.1040000 0.6084000 
1 1 1  -32    4   15 o   31.280   0.2350   31.330   0.2972   31.240   0.3640 0.8281000E-01 0.4699000 
1 1 1  -32    4   16 o   22.990   0.1970   23.320   0.2270   22.660   0.3222 0.6578000 0.3941000 
1 1 1  -32    4   17 o   12.980   0.2185   13.430   0.2482   12.520   0.3596 0.9140000 0.4370000 
1 1 1  -32    4   18 o   7.8920   0.2711   7.6190   0.3797   8.1640   0.3870 -0.5453000 0.5422000 
1 1 1  -32    4   19 o   25.730   0.1836   25.990   0.2437   25.470   0.2747 0.5246000 0.3672000 
1 1 1  -32    4   20 o   31.170   0.2025   31.480   0.2685   30.860   0.3032 0.6228000 0.4050000 
1 1 1  -32    4   21 o   8.9420   0.3209   9.1790   0.3963   8.7050   0.5047 0.4743000 0.6417000 
1 1 1  -32    4   22 o   8.9280   0.2988   8.5500   0.4572   9.3050   0.3847 -0.7550000 0.5975000 
1 1 1  -32    4   23 o   15.850   0.3048   15.690   0.5355   16.000   0.2913 -0.3120000 0.6096000 
1 1 1  -32    4   24 o   8.9220   0.3001   8.8150   0.4348   9.0300   0.4138 -0.2153000 0.6002000 
1 1 1  -32    4   25 o   13.360   0.2175   13.330   0.2899   13.390   0.3244 -0.5890000E-01 0.4351000 
1 1 1  -32    4   26 o   13.210   0.2593   13.390   0.3497   13.020   0.3828 0.3688000 0.5185000 
1 1 1  -32    4   27 o   11.940   0.2962   12.100   0.3693   11.780   0.4631 0.3145000 0.5923000 
1 1 1  -32    4   28 o   16.400   0.2126   16.470   0.2838   16.330   0.3166 0.1452000 0.4252000 
1 1 1  -32    4   29 o   3.1640   0.7082   3.4360   0.9616   2.8910   1.0400 0.5449000 1.416000 
1 1 1  -32    4   30 o   3.8610   0.6776   3.4050   1.0000   4.3170   0.9147 -0.9120000 1.355000 
1 1 1  -32    4   31 o   9.2470   0.3232   9.7660   0.4174   8.7280   0.4936 1.038000 0.6464000 
1 1 1  -32    4   32 o   5.3720   0.5323   5.7030   0.6678   5.0400   0.8291 0.6637000 1.065000 
1 1 1  -32    6    1 o   55.230   0.3048   55.170   0.4596   55.290   0.4003 -0.1190000 0.6095000 
1 1 1  -32    6    2 o   16.910   0.1683   16.300   0.2085   17.510   0.2642 -1.208000 0.3365000 
1 1 1  -32    6    3 o   35.040   0.3796   35.040   0.3796  ?   ?       ?      ? 
1 1 1  -32    6    4 o   51.440   0.3735   51.250   0.5266   51.640   0.5298 -0.3865000 0.7469000 
1 1 1  -32    6    5 o   11.930   0.1720   12.110   0.2587   11.750   0.2268 0.3605000 0.3441000 
1 1 1  -32    6    6 o   44.090   0.3236   43.660   0.4536   44.510   0.4615 -0.8551000 0.6471000 
1 1 1  -32    6    7 o   35.310   0.3344   34.750   0.5468   35.880   0.3851 -1.135000 0.6688000 
1 1 1  -32    6    8 o   26.860   0.2829   26.750   0.4707   26.980   0.3139 -0.2371000 0.5658000 
1 1 1  -32    6    9 o   17.160   0.1532   16.840   0.2347   17.480   0.1969 -0.6416000 0.3063000 
1 1 1  -32    6   10 o   42.720   0.2606   42.570   0.3676   42.860   0.3695 -0.2851000 0.5212000 
1 1 1  -32    6   11 o   4.3670   0.4547   4.4680   0.6144   4.2660   0.6704 0.2028000 0.9094000 
1 1 1  -32    6   12 o   31.560   0.2089   31.370   0.2956   31.750   0.2953 -0.3780000 0.4178000 
1 1 1  -32    6   13 o   35.420   0.2127   35.170   0.2758   35.680   0.3240 -0.5151000 0.4255000 
1 1 1  -32    6   14 o   48.030   0.3283   48.050   0.4154   48.010   0.5084 0.3991000E-01 0.6565000 
1 1 1  -32    6   15 o   26.580   0.2090   26.730   0.2417   26.430   0.3412 0.3001000 0.4181000 
1 1 1  -32    6   16 o   21.720   0.1756   21.820   0.2302   21.630   0.2653 0.1960000 0.3513000 
1 1 1  -32    6   17 o   23.780   0.1784   24.180   0.2376   23.390   0.2661 0.7917000 0.3567000 
1 1 1  -32    6   18 o   15.770   0.1985   15.540   0.2877   16.000   0.2737 -0.4656000 0.3971000 
1 1 1  -32    6   19 f   23.630   0.1824   23.710   0.2410   23.550   0.2739 0.1530000 0.3648000 
1 1 1  -32    6   20 o   17.390   0.2188   17.120   0.2785   17.670   0.3375 -0.5473000 0.4376000 
1 1 1  -32    6   21 o   15.900   0.1898   15.940   0.2523   15.850   0.2836 0.8955000E-01 0.3796000 
1 1 1  -32    6   22 o   12.530   0.2274   12.150   0.3356   12.910   0.3071 -0.7652000 0.4549000 
1 1 1  -32    6   23 o   12.840   0.2373   12.600   0.3492   13.070   0.3215 -0.4676000 0.4746000 
1 1 1  -32    6   24 o   7.5600   0.4101   7.0470   0.6853   8.0740   0.4506 -1.026000 0.8202000 
1 1 1  -32    6   25 o   13.410   0.2828   13.150   0.4297   13.670   0.3679 -0.5199000 0.5657000 
1 1 1  -32    6   26 o   3.3100   0.6826   3.1440   0.9507   3.4760   0.9798 -0.3318000 1.365000 
1 1 1  -32    6   27 o   8.5440   0.3746   8.4020   0.4867   8.6860   0.5695 -0.2841000 0.7491000 
1 1 1  -32    6   28 o   3.1790   0.6969   3.5480   0.9673   2.8090   1.0040 0.7394000 1.394000 
1 1 1  -32    6   29 o   10.610   0.2769   10.650   0.3760   10.580   0.4064 0.7011000E-01 0.5537000 
1 1 1  -32    6   30 o   11.020   0.2705   10.940   0.3629   11.100   0.4013 -0.1601000 0.5411000 
1 1 1  -32    6   31 o   4.3020   0.6373   4.2830   0.8744   4.3200   0.9273 -0.3716000E-01 1.275000 
1 1 1  -32    6   32 o   8.6070   0.3471   8.3330   0.4796   8.8820   0.5019 -0.5494000 0.6942000 
1 1 1  -32    8    1 o   29.240   0.1867   29.330   0.2800   29.140   0.2469 0.1962000 0.3733000 
1 1 1  -32    8    2 o   17.460   0.1566   17.430   0.2314   17.480   0.2111 -0.5560000E-01 0.3132000 
1 1 1  -32    8    3 o   39.910   0.2308   39.970   0.3479   39.840   0.3035 0.1336000 0.4617000 
1 1 1  -32    8    4 o   21.900   0.1492   21.560   0.2082   22.230   0.2139 -0.6744000 0.2985000 
1 1 1  -32    8    5 o   6.3520   0.2632   5.9360   0.3901   6.7680   0.3535 -0.8316000 0.5264000 
1 1 1  -32    8    6 o   36.730   0.2171   36.750   0.3291   36.720   0.2831 0.2566000E-01 0.4341000 
1 1 1  -32    8    7 o   19.270   0.1914   19.650   0.3205   18.880   0.2095 0.7664000 0.3829000 
1 1 1  -32    8    8 o   34.420   0.2360   34.730   0.3876   34.110   0.2695 0.6208000 0.4721000 
1 1 1  -32    8    9 o   23.410   0.1723   23.370   0.2607   23.450   0.2254 -0.8216000E-01 0.3446000 
1 1 1  -32    8   10 o   25.390   0.1782   25.400   0.2700   25.380   0.2328 0.1130000E-01 0.3565000 
1 1 1  -32    8   11 o   40.740   0.2562   40.210   0.3588   41.270   0.3658 -1.064000 0.5123000 
1 1 1  -32    8   12 o   19.850   0.2135   20.090   0.2676   19.600   0.3327 0.4882000 0.4269000 
1 1 1  -32    8   13 o   21.680   0.2134   22.040   0.2691   21.320   0.3313 0.7198000 0.4268000 
1 1 1  -32    8   14 o   34.400   0.2584   34.340   0.3248   34.450   0.4020 -0.1167000 0.5168000 
1 1 1  -32    8   15 f   20.080   0.1933   20.120   0.2764   20.040   0.2704 0.8236000E-01 0.3867000 
1 1 1  -32    8   16 o   19.890   0.1924   19.960   0.2775   19.820   0.2667 0.1429000 0.3849000 
1 1 1  -32    8   17 o   22.780   0.1977   22.800   0.2866   22.750   0.2722 0.4266000E-01 0.3953000 
1 1 1  -32    8   18 o   23.450   0.2213   23.560   0.2805   23.340   0.3425 0.2231000 0.4427000 
1 1 1  -32    8   19 o   11.610   0.2625   12.170   0.2962   11.060   0.4336 1.106000 0.5251000 
1 1 1  -32    8   20 o   19.100   0.1865   19.180   0.2474   19.020   0.2793 0.1599000 0.3731000 
1 1 1  -32    8   21 o   29.500   0.2045   29.230   0.2675   29.780   0.3093 -0.5492000 0.4090000 
1 1 1  -32    8   22 o   18.490   0.2050   18.390   0.2900   18.580   0.2897 -0.1917000 0.4099000 
1 1 1  -32    8   23 o   12.370   0.2257   12.280   0.3072   12.450   0.3307 -0.1703000 0.4514000 
1 1 1  -32    8   24 o   10.480   0.2928   10.080   0.4182   10.880   0.4101 -0.8027000 0.5857000 
1 1 1  -32    8   25 o   2.7390   0.7173   2.3410   1.0300   3.1370   0.9987 -0.7963000 1.435000 
1 1 1  -32    8   26 f   13.700   0.3032   13.580   0.4323   13.820   0.4253 -0.2372000 0.6064000 
1 1 1  -32    8   27 o   3.3920   0.6747   2.7860   0.9874   3.9990   0.9196 -1.212000 1.349000 
1 1 1  -32    8   28 o   16.400   0.2157   16.390   0.2923   16.410   0.3171 -0.2028000E-01 0.4313000 
1 1 1  -32    8   29 o   6.4290   0.4213   5.9950   0.6145   6.8620   0.5765 -0.8667000 0.8426000 
1 1 1  -32    8   30 o   14.230   0.2361   14.550   0.3116   13.920   0.3549 0.6315000 0.4723000 
1 1 1  -32    8   31 o   10.990   0.2813   10.950   0.3849   11.030   0.4102 -0.7275000E-01 0.5625000 
1 1 1  -32   10    1 o   22.620   0.2730   22.350   0.3351   22.890   0.4309 -0.5380000 0.5459000 
1 1 1  -32   10    2 o   58.580   0.4338   59.730   0.6188   57.420   0.6081 2.309000 0.8676000 
1 1 1  -32   10    3 o   6.6790   0.2959   7.0270   0.3907   6.3310   0.4445 0.6962000 0.5919000 
1 1 1  -32   10    4 o   17.000   0.1625   17.000   0.2270   17.000   0.2326 0.1049000E-02 0.3250000 
1 1 1  -32   10    5 o   41.180   0.2236   41.240   0.3159   41.120   0.3165 0.1230000 0.4472000 
1 1 1  -32   10    6 o   29.960   0.1967   29.890   0.2977   30.040   0.2572 -0.1459000 0.3934000 
1 1 1  -32   10    7 o   17.630   0.1926   17.660   0.2695   17.590   0.2754 0.6953000E-01 0.3853000 
1 1 1  -32   10    8 o   3.6080   0.6047   3.4980   0.9214   3.7190   0.7832 -0.2206000 1.209000 
1 1 1  -32   10    9 o   11.420   0.2602   11.040   0.3975   11.800   0.3358 -0.7529000 0.5204000 
1 1 1  -32   10   10 o   8.3050   0.3750   9.0920   0.4016   7.5180   0.6334 1.574000 0.7500000 
1 1 1  -32   10   11 o   10.950   0.2907   11.410   0.3485   10.480   0.4653 0.9297000 0.5814000 
1 1 1  -32   10   12 o   29.940   0.2433   30.110   0.3062   29.760   0.3781 0.3531000 0.4865000 
1 1 1  -32   10   13 o   31.010   0.2203   30.900   0.3116   31.130   0.3115 -0.2348000 0.4406000 
1 1 1  -32   10   14 o   25.970   0.2049   25.880   0.2914   26.060   0.2880 -0.1770000 0.4097000 
1 1 1  -32   10   15 o   22.220   0.1996   21.890   0.2858   22.550   0.2787 -0.6671000 0.3992000 
1 1 1  -32   10   16 o   12.450   0.2993   12.430   0.4150   12.470   0.4314 -0.4485000E-01 0.5986000 
1 1 1  -32   10   17 o   6.3940   0.4130   6.6810   0.5700   6.1070   0.5977 0.5738000 0.8259000 
1 1 1  -32   10   18 o   10.400   0.2684   10.600   0.3840   10.200   0.3752 0.4036000 0.5368000 
1 1 1  -32   10   19 o   6.6370   0.4030   6.4300   0.5983   6.8440   0.5402 -0.4142000 0.8061000 
1 1 1  -32   10   20 o   17.420   0.2125   17.170   0.3094   17.670   0.2914 -0.4964000 0.4250000 
1 1 1  -32   10   21 o   13.540   0.2592   13.280   0.4036   13.800   0.3254 -0.5251000 0.5184000 
1 1 1  -32   10   22 o   9.8650   0.3766   9.4140   0.6047   10.310   0.4489 -0.9006000 0.7531000 
1 1 1  -32   10   23 o   4.8180   0.5408   5.1740   0.6775   4.4630   0.8431 0.7113000 1.082000 
1 1 1  -32   10   24 o   9.4040   0.2930   9.3400   0.3965   9.4670   0.4315 -0.1274000 0.5860000 
1 1 1  -32   10   25 o   14.630   0.2244   14.740   0.3022   14.520   0.3318 0.2174000 0.4488000 
1 1 1  -32   10   26 o   5.4040   0.8326   4.3330   1.4650   6.4740   0.7922 -2.141000 1.665000 
1 1 1  -32   10   27 o   7.7030   0.4629   7.5000   0.7780   7.9070   0.5016 -0.4070000 0.9257000 
1 1 1  -32   10   28 o   4.6120   0.5783   4.2390   0.8542   4.9860   0.7797 -0.7468000 1.157000 
1 1 1  -32   10   29 o   2.8670   0.6845   3.4930   0.9816   2.2400   0.9543 1.253000 1.369000 
1 1 1  -32   10   30 o   4.2360   0.6067   5.8570   0.6398   2.6140   1.0310 3.243000 1.213000 
1 1 1  -32   10   31 o   2.2330   0.7068   2.1720   0.9703   2.2950   1.0280 -0.1231000 1.414000 
1 1 1  -32   12    1 o   18.100   0.2166   18.160   0.2857   18.030   0.3258 0.1363000 0.4333000 
1 1 1  -32   12    2 o   47.710   0.3282   47.220   0.4139   48.190   0.5095 -0.9769000 0.6564000 
1 1 1  -32   12    3 o   27.210   0.2145   27.280   0.2572   27.140   0.3433 0.1358000 0.4290000 
1 1 1  -32   12    4 o   27.450   0.1819   27.570   0.2558   27.320   0.2587 0.2459000 0.3638000 
1 1 1  -32   12    5 o   43.140   0.2364   43.280   0.3347   43.000   0.3338 0.2767000 0.4727000 
1 1 1  -32   12    6 o   12.610   0.2009   12.600   0.2797   12.620   0.2886 -0.1746000E-01 0.4019000 
1 1 1  -32   12    7 o   8.9070   0.2865   8.7940   0.4376   9.0200   0.3700 -0.2252000 0.5730000 
1 1 1  -32   12    8 o   11.250   0.3095   11.520   0.3617   10.970   0.5022 0.5465000 0.6189000 
1 1 1  -32   12    9 o   21.140   0.2567   22.060   0.3592   20.220   0.3668 1.841000 0.5134000 
1 1 1  -32   12   10 o   32.450   0.2309   32.740   0.3283   32.160   0.3247 0.5739000 0.4618000 
1 1 1  -32   12   11 o   10.560   0.2581   10.470   0.3975   10.650   0.3294 -0.1790000 0.5163000 
1 1 1  -32   12   12 o   10.820   0.3062   10.840   0.4602   10.790   0.4039 0.4992000E-01 0.6123000 
1 1 1  -32   12   13 o   14.780   0.2519   15.040   0.3825   14.510   0.3279 0.5307000 0.5038000 
1 1 1  -32   12   14 f   7.2820   0.3819   6.9790   0.5647   7.5860   0.5144 -0.6079000 0.7639000 
1 1 1  -32   12   15 o   12.100   0.2531   12.050   0.3600   12.140   0.3559 -0.8754000E-01 0.5062000 
1 1 1  -32   12   16 o   24.600   0.2104   24.600   0.2997   24.610   0.2954 -0.3572000E-02 0.4208000 
1 1 1  -32   12   17 o   20.140   0.2095   20.320   0.2971   19.960   0.2956 0.3603000 0.4191000 
1 1 1  -32   12   18 o   12.970   0.2469   12.740   0.3571   13.210   0.3410 -0.4679000 0.4937000 
1 1 1  -32   12   19 o   13.310   0.2730   13.360   0.4227   13.260   0.3456 0.1042000 0.5460000 
1 1 1  -32   12   20 o   6.7140   0.6083   7.1840   0.9722   6.2440   0.7313 0.9404000 1.217000 
1 1 1  -32   12   21 o   16.080   0.2258   16.030   0.3223   16.130   0.3164 -0.1025000 0.4517000 
1 1 1  -32   12   22 o   8.9300   0.3769   9.4270   0.5850   8.4340   0.4755 0.9925000 0.7539000 
1 1 1  -32   12   23 o   12.580   0.2589   12.570   0.3730   12.590   0.3591 -0.1601000E-01 0.5178000 
1 1 1  -32   12   24 o   10.640   0.2927   10.280   0.4308   11.000   0.3963 -0.7134000 0.5854000 
1 1 1  -32   12   25 o   16.400   0.2663   16.270   0.3404   16.540   0.4097 -0.2768000 0.5326000 
1 1 1  -32   12   26 o   7.0540   0.4006   6.9540   0.5542   7.1550   0.5786 -0.2010000 0.8012000 
1 1 1  -32   12   27 o   10.450   0.3806   9.8590   0.6443   11.050   0.4054 -1.190000 0.7612000 
1 1 1  -32   12   28 o   6.8730   0.5561   6.5070   0.9564   7.2400   0.5675 -0.7334000 1.112000 
1 1 1  -32   12   29 o   3.0440   0.7727   2.1840   0.9757   3.9030   1.1990 -1.718000 1.545000 
1 1 1  -32   12   30 o   5.1730   0.7030   5.7500   0.7512   4.5970   1.1880 1.154000 1.406000 
1 1 1  -32   14    1 o   12.570   0.2345   12.650   0.3463   12.500   0.3163 0.1428000 0.4690000 
1 1 1  -32   14    2 o   8.2540   0.3271   8.2560   0.4280   8.2510   0.4947 0.4894000E-02 0.6541000 
1 1 1  -32   14    3 o   18.170   0.2263   18.120   0.2968   18.220   0.3418 -0.1050000 0.4527000 
1 1 1  -32   14    4 o   9.2330   0.3223   8.7960   0.4303   9.6700   0.4799 -0.8746000 0.6446000 
1 1 1  -32   14    5 o   8.4230   0.4959   9.7900   0.4870   7.0560   0.8641 2.734000 0.9919000 
1 1 1  -32   14    6 o   8.0030   0.6262   8.4650   0.4458   7.5410   1.1700 0.9238000 1.252000 
1 1 1  -32   14    7 o   44.820   0.4388   44.750   0.4942   44.880   0.7253 -0.1362000 0.8777000 
1 1 1  -32   14    8 o   18.390   0.2017   18.560   0.3047   18.220   0.2644 0.3451000 0.4034000 
1 1 1  -32   14    9 o   5.3530   0.5144   5.0540   0.8295   5.6530   0.6085 -0.5984000 1.029000 
1 1 1  -32   14   10 o   12.160   0.2496   11.880   0.3889   12.440   0.3128 -0.5610000 0.4991000 
1 1 1  -32   14   11 o   12.250   0.2422   12.080   0.3746   12.430   0.3072 -0.3513000 0.4844000 
1 1 1  -32   14   12 o   5.6080   0.4691   5.6410   0.7119   5.5750   0.6110 0.6651000E-01 0.9381000 
1 1 1  -32   14   13 o   17.580   0.2062   17.360   0.3146   17.790   0.2665 -0.4314000 0.4123000 
1 1 1  -32   14   14 o   11.340   0.2616   11.350   0.3933   11.320   0.3452 0.3198000E-01 0.5233000 
1 1 1  -32   14   15 f   4.1670   0.6538   5.6750   0.7126   2.6600   1.0960 3.016000 1.308000 
1 1 1  -32   14   16 o   9.0750   0.3283   9.5080   0.4531   8.6420   0.4753 0.8663000 0.6567000 
1 1 1  -32   14   17 o   10.950   0.4307   11.400   0.7216   10.500   0.4706 0.8986000 0.8615000 
1 1 1  -32   14   18 o   4.6740   0.8675   4.9580   1.3930   4.3910   1.0350 0.5667000 1.735000 
1 1 1  -32   14   19 o   5.3310   0.5585   5.6940   0.7251   4.9670   0.8497 0.7265000 1.117000 
1 1 1  -32   14   20 o   4.2030   0.6424   2.9460   1.0510   5.4600   0.7389 -2.513000 1.285000 
1 1 1  -32   14   21 o   7.3390   0.4006   7.1830   0.5892   7.4940   0.5428 -0.3113000 0.8012000 
1 1 1  -32   14   22 o   8.6620   0.3499   8.6240   0.5031   8.6990   0.4864 -0.7474000E-01 0.6998000 
1 1 1  -32   14   23 o   12.120   0.3081   11.730   0.4102   12.510   0.4599 -0.7823000 0.6162000 
1 1 1  -32   14   24 o   10.430   0.3483   10.500   0.4557   10.360   0.5270 0.1435000 0.6967000 
1 1 1  -32   14   25 f   6.4430   0.4817   5.7020   0.7740   7.1830   0.5735 -1.480000 0.9633000 
1 1 1  -32   14   26 o   12.350   0.2761   12.600   0.3909   12.100   0.3900 0.5073000 0.5522000 
1 1 1  -32   14   27 o   2.2210   0.6693   1.8170   0.8602   2.6250   1.0260 -0.8075000 1.339000 
1 1 1  -32   14   28 o   3.1110   0.8769   2.7100   1.2610   3.5120   1.2190 -0.8023000 1.754000 
1 1 1  -32   14   29 o   1.8100   0.6084   1.9730   0.9177   1.6470   0.7989 0.3263000 1.217000 
1 1 1  -32   16    1 o   15.910   0.2198   15.930   0.3251   15.880   0.2959 0.4818000E-01 0.4396000 
1 1 1  -32   16    2 o   9.7480   0.2880   9.5840   0.4070   9.9120   0.4075 -0.3270000 0.5760000 
1 1 1  -32   16    3 o   10.410   0.3533   9.9060   0.3935   10.910   0.5869 -1.003000 0.7066000 
1 1 1  -32   16    4 o   11.710   0.3420   11.710   0.3420  ?   ?       ?      ? 
1 1 1  -32   16    5 o   9.3990   0.4523   9.3720   0.3976   9.4260   0.8126 -0.5398000E-01 0.9046000 
1 1 1  -32   16    6 o   13.730   0.2490   13.430   0.3045   14.020   0.3941 -0.5860000 0.4980000 
1 1 1  -32   16    7 o   13.820   0.2390   13.870   0.3651   13.770   0.3085 0.9473000E-01 0.4780000 
1 1 1  -32   16    8 o   15.170   0.2274   14.480   0.3525   15.860   0.2872 -1.373000 0.4547000 
1 1 1  -32   16    9 o   5.4280   0.5112   5.3360   0.7892   5.5200   0.6499 -0.1841000 1.022000 
1 1 1  -32   16   10 o   11.730   0.2641   11.690   0.4118   11.770   0.3306 -0.8258000E-01 0.5281000 
1 1 1  -32   16   11 o   3.2610   0.7263   3.1840   1.0860   3.3370   0.9647 -0.1530000 1.453000 
1 1 1  -32   16   12 o   4.9530   0.5508   5.4250   0.7836   4.4810   0.7744 0.9446000 1.102000 
1 1 1  -32   16   13 o   7.0150   0.4762   7.1180   0.7711   6.9130   0.5589 0.2057000 0.9523000 
1 1 1  -32   16   14 o   3.0600   0.8292   2.5320   1.1790   3.5880   1.1660 -1.056000 1.658000 
1 1 1  -32   16   15 o   3.6770   0.9297   3.8030   1.4240   3.5510   1.1960 0.2524000 1.859000 
1 1 1  -32   16   16 o   9.5390   0.3551   9.1330   0.5955   9.9450   0.3870 -0.8115000 0.7102000 
1 1 1  -32   16   17 o   7.9440   0.3775   8.2590   0.5243   7.6290   0.5432 0.6296000 0.7549000 
1 1 1  -32   16   18 o   13.840   0.2496   13.620   0.3594   14.070   0.3465 -0.4478000 0.4992000 
1 1 1  -32   16   19 o   4.9670   0.5923   4.9390   0.8584   4.9950   0.8164 -0.5603000E-01 1.185000 
1 1 1  -32   16   20 o   12.380   0.2772   12.320   0.3992   12.440   0.3846 -0.1152000 0.5543000 
1 1 1  -32   16   21 o   6.1860   0.5186   7.1430   0.6042   5.2300   0.8430 1.914000 1.037000 
1 1 1  -32   16   22 o   16.020   0.2781   16.050   0.3505   16.000   0.4320 0.5421000E-01 0.5563000 
1 1 1  -32   16   23 o   15.060   0.2539   15.180   0.3566   14.950   0.3616 0.2307000 0.5079000 
1 1 1  -32   16   24 o   11.680   0.2951   11.450   0.4213   11.910   0.4132 -0.4598000 0.5901000 
1 1 1  -32   16   25 o   1.7020   0.5769   1.4850   0.7367   1.9180   0.8881 -0.4332000 1.154000 
1 1 1  -32   16   26 o   7.6890   0.5637   6.3930   0.9086   8.9850   0.6674 -2.592000 1.127000 
1 1 1  -32   16   27 o   3.3530   0.7740   3.8140   1.0990   2.8930   1.0900 0.9213000 1.548000 
1 1 1  -32   18    1 o   7.0790   0.7662   7.6840   0.7216   6.4740   1.3520 1.210000 1.532000 
1 1 1  -32   18    2 o   8.5170   0.6134   8.4830   0.6729   8.5500   1.0260 -0.6707000E-01 1.227000 
1 1 1  -32   18    3 o   3.5890   0.8186   4.4240   1.1760   2.7540   1.1390 1.671000 1.637000 
1 1 1  -32   18    4 o   7.5160   0.5200   6.9020   0.7718   8.1300   0.6971 -1.228000 1.040000 
1 1 1  -32   18    5 o   8.9780   0.4406   9.1830   0.5973   8.7720   0.6478 0.4111000 0.8812000 
1 1 1  -32   18    6 o   10.240   0.4635   9.5870   0.5850   10.890   0.7190 -1.301000 0.9269000 
1 1 1  -32   18    7 o   12.030   0.4177   12.550   0.4624   11.520   0.6957 1.031000 0.8353000 
1 1 1  -32   18    8 o   9.2090   0.5547   8.9550   0.9363   9.4630   0.5950 -0.5082000 1.109000 
1 1 1  -32   18    9 o   7.5480   0.4860   7.5910   0.7451   7.5050   0.6244 0.8602000E-01 0.9721000 
1 1 1  -32   18   10 o   10.040   0.3772   9.8930   0.5948   10.190   0.4639 -0.2949000 0.7543000 
1 1 1  -32   18   11 o   5.3550   0.6812   5.5530   1.0550   5.1570   0.8616 0.3957000 1.362000 
1 1 1  -32   18   12 f   5.3780   0.5880   4.2250   1.0380   6.5320   0.5523 -2.307000 1.176000 
1 1 1  -32   18   13 o   9.1440   0.3177   9.2730   0.4794   9.0150   0.4172 0.2585000 0.6355000 
1 1 1  -32   18   14 o   12.540   0.2551   12.560   0.3900   12.530   0.3290 0.2921000E-01 0.5103000 
1 1 1  -32   18   15 o   11.040   0.2784   11.060   0.4183   11.020   0.3674 0.4520000E-01 0.5567000 
1 1 1  -32   18   16 o   13.290   0.2512   13.470   0.3739   13.100   0.3357 0.3647000 0.5025000 
1 1 1  -32   18   17 o   2.1060   0.6532   1.9070   0.8886   2.3050   0.9576 -0.3980000 1.306000 
1 1 1  -32   18   18 f   5.1350   0.5531   4.7830   0.8937   5.4860   0.6520 -0.7029000 1.106000 
1 1 1  -32   18   19 o   5.6070   0.6155   5.5110   0.7926   5.7040   0.9419 -0.1936000 1.231000 
1 1 1  -32   18   20 o   11.180   0.3336   11.420   0.4153   10.940   0.5221 0.4814000 0.6671000 
1 1 1  -32   18   21 o   14.840   0.2560   14.700   0.3641   14.970   0.3601 -0.2721000 0.5121000 
1 1 1  -32   18   22 o   12.030   0.2944   12.010   0.4252   12.050   0.4074 -0.4437000E-01 0.5889000 
1 1 1  -32   18   23 o   12.010   0.3009   12.280   0.4207   11.730   0.4303 0.5408000 0.6018000 
1 1 1  -32   18   24 o   3.0460   0.8547   3.2190   1.2050   2.8730   1.2120 0.3453000 1.709000 
1 1 1  -32   18   25 o   2.2790   0.7073   2.4130   1.0280   2.1440   0.9716 0.2690000 1.415000 
1 1 1  -32   18   26 o   3.3520   0.7827   3.9060   1.1180   2.7970   1.0960 1.109000 1.565000 
1 1 1  -32   20    1 o   8.3160   0.3759   8.0600   0.5780   8.5730   0.4808 -0.5127000 0.7518000 
1 1 1  -32   20    2 o   4.7880   0.5898   4.5920   0.8713   4.9840   0.7952 -0.3921000 1.180000 
1 1 1  -32   20    3 o   13.410   0.2366   13.610   0.3280   13.210   0.3410 0.4005000 0.4732000 
1 1 1  -32   20    4 o   2.2340   0.6274   2.9500   1.0120   1.5190   0.7417 1.431000 1.255000 
1 1 1  -32   20    5 o   7.9290   0.3464   7.9790   0.4783   7.8790   0.5012 0.1002000 0.6928000 
1 1 1  -32   20    6 o   4.3520   0.6221   3.9420   0.9385   4.7620   0.8169 -0.8203000 1.244000 
1 1 1  -32   20    7 o   5.0100   0.6170   4.5230   0.8167   5.4970   0.9251 -0.9739000 1.234000 
1 1 1  -32   20    8 o   13.980   0.2854   13.980   0.3751   13.980   0.4302 -0.5888000E-02 0.5708000 
1 1 1  -32   20    9 o   4.0800   0.7255   3.7050   1.0800   4.4550   0.9694 -0.7504000 1.451000 
1 1 1  -32   20   10 o   2.5980   0.7230   2.5840   1.0440   2.6120   1.0010 -0.2753000E-01 1.446000 
1 1 1  -32   20   11 o   8.3390   0.3673   8.4440   0.5617   8.2340   0.4735 0.2106000 0.7346000 
1 1 1  -32   20   12 o   6.0960   0.4910   6.2540   0.7462   5.9380   0.6385 0.3159000 0.9821000 
1 1 1  -32   20   13 o   5.3950   0.5487   5.3110   0.8498   5.4800   0.6945 -0.1687000 1.097000 
1 1 1  -32   20   14 o   2.6560   0.6981   2.1550   0.9608   3.1570   1.0130 -1.003000 1.396000 
1 1 1  -32   20   15 o   8.5930   0.3554   8.4680   0.5375   8.7180   0.4651 -0.2505000 0.7108000 
1 1 1  -32   20   16 o   24.930   0.2348   24.780   0.3315   25.080   0.3327 -0.3024000 0.4697000 
1 1 1  -32   20   17 o   6.2650   0.4865   6.3530   0.6901   6.1780   0.6861 0.1745000 0.9731000 
1 1 1  -32   20   18 o   4.4870   0.6577   4.2260   1.0150   4.7490   0.8364 -0.5231000 1.315000 
1 1 1  -32   20   19 o   2.4740   0.7089   2.7900   1.0690   2.1570   0.9315 0.6333000 1.418000 
1 1 1  -32   20   20 o   6.5380   0.4572   6.6750   0.6779   6.4000   0.6137 0.2743000 0.9144000 
1 1 1  -32   20   21 o   7.9350   0.5200   7.5760   0.7169   8.2940   0.7534 -0.7179000 1.040000 
1 1 1  -32   20   22 o   7.9500   0.4192   8.0430   0.5857   7.8560   0.6000 0.1867000 0.8384000 
1 1 1  -32   20   23 o   3.0880   0.7791   3.3680   1.1230   2.8080   1.0800 0.5593000 1.558000 
1 1 1  -32   20   24 o   2.8180   0.7160   1.9940   0.9253   3.6420   1.0930 -1.648000 1.432000 
1 1 1  -32   22    1 o   7.4740   0.5406   7.9080   0.8232   7.0400   0.7008 0.8681000 1.081000 
1 1 1  -32   22    2 o   6.5950   0.5150   6.5070   0.7413   6.6840   0.7152 -0.1768000 1.030000 
1 1 1  -32   22    3 o   2.8220   0.7780   2.6920   1.0820   2.9510   1.1190 -0.2595000 1.556000 
1 1 1  -32   22    4 o   3.3360   0.7871   3.0210   1.1130   3.6500   1.1130 -0.6294000 1.574000 
1 1 1  -32   22    5 o   15.650   0.2637   15.270   0.3748   16.040   0.3710 -0.7632000 0.5274000 
1 1 1  -32   22    6 o   2.7870   0.6960   3.3620   1.0120   2.2130   0.9564 1.149000 1.392000 
1 1 1  -32   22    7 o   2.0790   0.6604   1.6390   0.8007   2.5190   1.0510 -0.8798000 1.321000 
1 1 1  -32   22    8 o   5.9580   0.7392   6.1770   0.7398   5.7400   1.2800 0.4369000 1.478000 
1 1 1  -32   22    9 o   3.1890   0.8496   3.2970   1.1090   3.0810   1.2880 0.2160000 1.699000 
1 1 1  -32   22   10 o   6.9120   0.6346   7.0100   0.6478   6.8140   1.0910 0.1967000 1.269000 
1 1 1  -32   22   11 o   11.560   0.3128   12.000   0.4348   11.120   0.4498 0.8815000 0.6256000 
1 1 1  -32   22   12 o   1.7850   0.6032   1.7480   0.8427   1.8220   0.8633 -0.7412000E-01 1.206000 
1 1 1  -32   22   13 o   8.5860   0.3629   8.7880   0.5463   8.3830   0.4779 0.4048000 0.7258000 
1 1 1  -32   22   14 f   2.5320   0.7169   2.9280   1.0940   2.1360   0.9265 0.7918000 1.434000 
1 1 1  -32   22   15 o   2.1990   0.6806   2.3850   1.0180   2.0140   0.9036 0.3714000 1.361000 
1 1 1  -32   22   16 o   2.3500   0.6843   3.0180   1.1080   1.6820   0.8038 1.336000 1.369000 
1 1 1  -32   22   17 o   4.4580   0.7701   3.7530   1.2120   5.1620   0.9509 -1.410000 1.540000 
1 1 1  -32   22   18 o   4.3080   0.8093   4.3820   1.1650   4.2330   1.1240 0.1489000 1.619000 
1 1 1  -32   22   19 o   9.0970   0.3566   9.1220   0.5229   9.0730   0.4849 0.4844000E-01 0.7131000 
1 1 1  -32   22   20 o   5.4190   0.5658   5.7640   0.7944   5.0740   0.8058 0.6905000 1.132000 
1 1 1  -32   22   21 o   3.2580   0.7288   2.5150   1.0490   4.0020   1.0120 -1.487000 1.458000 
1 1 1  -32   24    1 o   2.5410   0.7392   2.8050   1.1100   2.2770   0.9763 0.5280000 1.478000 
1 1 1  -32   24    2 o   2.1990   0.6773   2.0990   0.9336   2.3000   0.9813 -0.2015000 1.355000 
1 1 1  -32   24    3 o   10.470   0.3014   10.330   0.4237   10.610   0.4287 -0.2830000 0.6027000 
1 1 1  -32   24    4 o   7.6160   0.3843   7.0350   0.5762   8.1980   0.5088 -1.163000 0.7687000 
1 1 1  -32   24    5 o   3.2150   0.7404   3.0950   1.0470   3.3350   1.0470 -0.2396000 1.481000 
1 1 1  -32   24    6 o   2.2650   0.6810   2.4440   0.9964   2.0870   0.9286 0.3564000 1.362000 
1 1 1  -32   24    7 o   4.4350   0.6439   4.2290   0.9511   4.6420   0.8682 -0.4134000 1.288000 
1 1 1  -32   24    8 o   3.6130   0.7603   3.2880   1.1430   3.9380   1.0020 -0.6497000 1.521000 
1 1 1  -32   24    9 o   5.5740   0.6722   5.5010   1.0520   5.6470   0.8374 -0.1457000 1.344000 
1 1 1  -32   24   10 o   3.0740   0.8319   2.5980   1.1180   3.5510   1.2320 -0.9538000 1.664000 
1 1 1  -32   24   11 o   6.1790   0.6856   5.1530   1.1180   7.2050   0.7934 -2.052000 1.371000 
1 1 1  -32   24   12 o   3.0600   0.7975   2.6370   1.1290   3.4830   1.1270 -0.8461000 1.595000 
1 1 1  -32   24   13 f   6.5380   0.5332   7.1040   0.7060   5.9710   0.7991 1.133000 1.066000 
1 1 1  -32   24   14 o   5.3320   0.6271   4.3210   1.0800   6.3440   0.6382 -2.023000 1.254000 
1 1 1  -32   24   15 o   3.8570   0.7497   4.0250   1.0900   3.6890   1.0300 0.3360000 1.499000 
1 1 1  -32   24   16 o   2.8490   0.7621   3.0700   1.1180   2.6290   1.0360 0.4413000 1.524000 
1 1 1  -32   24   17 o   2.6920   0.7437   2.4690   1.0460   2.9160   1.0570 -0.4467000 1.487000 
1 1 1  -32   24   18 o   2.4410   0.7158   2.0620   0.9450   2.8210   1.0750 -0.7593000 1.432000 
1 1 1  -32   26    1 o   6.0060   0.5983   5.2320   1.0110   6.7790   0.6406 -1.548000 1.197000 
1 1 1  -32   26    2 o   5.7160   0.5629   6.6100   0.6723   4.8220   0.9031 1.788000 1.126000 
1 1 1  -32   26    3 o   4.4260   0.6813   4.3290   0.9935   4.5240   0.9326 -0.1952000 1.363000 
1 1 1  -32   26    4 o   2.9580   0.7446   2.6430   1.0370   3.2730   1.0690 -0.6308000 1.489000 
1 1 1  -32   26    5 o   2.4320   0.6960   1.9350   0.8933   2.9300   1.0680 -0.9954000 1.392000 
1 1 1  -32   26    6 o   3.9080   0.7150   3.9890   1.0120   3.8270   1.0110 0.1614000 1.430000 
1 1 1  -32   26    7 o   2.4580   0.7075   2.8020   1.0610   2.1140   0.9362 0.6882000 1.415000 
1 1 1  -32   26    8 o   4.3790   0.7276   5.0700   1.0030   3.6880   1.0540 1.382000 1.455000 
1 1 1  -32   26    9 o   2.3660   0.7206   2.4930   1.0660   2.2390   0.9699 0.2532000 1.441000 
1 1 1  -32   26   10 o   2.6850   0.7708   2.5530   1.0680   2.8160   1.1120 -0.2635000 1.542000 
1 1 1  -32   26   11 o   4.6080   0.7891   5.1730   0.9852   4.0420   1.2330 1.131000 1.578000 
1 1 1  -32   26   12 o   2.5110   0.7623   2.7900   1.1250   2.2310   1.0290 0.5583000 1.525000 
1 1 1  -32   26   13 o   3.7920   0.7657   4.0900   1.1130   3.4950   1.0520 0.5951000 1.531000 
1 1 1  -32   26   14 o   4.0660   0.7384   4.0740   1.0920   4.0590   0.9941 0.1559000E-01 1.477000 
1 1 1  -32   28    1 o   3.4740   0.8257   3.8180   1.1880   3.1290   1.1470 0.6894000 1.651000 
1 1 1  -32   28    2 o   2.6510   0.7796   2.6240   1.1030   2.6780   1.1020 -0.5358000E-01 1.559000 
1 1 1  -32   28    3 o   3.5600   0.8001   4.1430   1.1270   2.9770   1.1360 1.166000 1.600000 
1 1 1  -32   28    4 o   4.2150   0.7809   4.3790   1.0950   4.0510   1.1130 0.3273000 1.562000 
1 1 1  -32   28    5 o   4.6030   0.7435   5.1210   1.0130   4.0840   1.0890 1.036000 1.487000 
1 1 1  -32   28    6 o   2.1720   0.6820   1.6920   0.8292   2.6520   1.0830 -0.9607000 1.364000 
1 1 1  -31    1    1 o   16.450   0.1642   16.310   0.2339   16.600   0.2305 -0.2913000 0.3284000 
1 1 1  -31    1    2 o   21.560   0.1973   21.410   0.3373   21.710   0.2048 -0.2944000 0.3946000 
1 1 1  -31    1    3 o   52.880   0.4355   52.910   0.7548   52.840   0.4346 0.7616000E-01 0.8710000 
1 1 1  -31    1    4 o   63.880   0.5081   63.610   0.9074   64.140   0.4577 -0.5363000 1.016000 
1 1 1  -31    1    5 o   38.410   0.3399   38.000   0.5510   38.830   0.3981 -0.8337000 0.6798000 
1 1 1  -31    1    6 o   38.450   0.2786   38.240   0.3916   38.650   0.3963 -0.4078000 0.5571000 
1 1 1  -31    1    7 o   43.260   0.3585  ?   ?    43.260   0.3585      ?      ? 
1 1 1  -31    1    8 o   14.980   0.1339   15.370   0.1683   14.590   0.2082 0.7853000 0.2677000 
1 1 1  -31    1    9 o   29.990   0.1844   29.800   0.2595   30.180   0.2621 -0.3812000 0.3689000 
1 1 1  -31    1   10 f   10.830   0.1642   10.400   0.2600   11.250   0.2007 -0.8496000 0.3285000 
1 1 1  -31    1   11 o   28.520   0.1573   28.410   0.2219   28.620   0.2232 -0.2043000 0.3147000 
1 1 1  -31    1   12 o   42.330   0.2196   42.290   0.3102   42.380   0.3109 -0.8492000E-01 0.4392000 
1 1 1  -31    1   13 o   31.490   0.1736   31.420   0.2449   31.560   0.2460 -0.1485000 0.3471000 
1 1 1  -31    1   14 o   43.870   0.3246   43.810   0.4585   43.920   0.4596 -0.1129000 0.6492000 
1 1 1  -31    1   15 o   39.880   0.2306   39.610   0.2999   40.150   0.3503 -0.5424000 0.4612000 
1 1 1  -31    1   16 o   15.880   0.1706   16.160   0.2212   15.600   0.2598 0.5675000 0.3412000 
1 1 1  -31    1   17 o   38.920   0.2117   38.860   0.2990   38.970   0.2997 -0.1131000 0.4234000 
1 1 1  -31    1   18 o   28.840   0.2021   28.620   0.2851   29.050   0.2866 -0.4296000 0.4042000 
1 1 1  -31    1   19 o   38.560   0.2132   38.560   0.3013   38.560   0.3019 -0.4787000E-02 0.4265000 
1 1 1  -31    1   20 o   17.390   0.1820   17.290   0.2366   17.500   0.2765 -0.2030000 0.3639000 
1 1 1  -31    1   21 o   37.940   0.2637   37.730   0.3013   38.150   0.4329 -0.4150000 0.5274000 
1 1 1  -31    1   22 o   14.210   0.3405   13.920   0.5657   14.500   0.3790 -0.5753000 0.6810000 
1 1 1  -31    1   23 o   16.270   0.2292   16.120   0.3821   16.430   0.2534 -0.3086000 0.4585000 
1 1 1  -31    1   24 o   5.6350   0.3947   5.3690   0.5916   5.9020   0.5226 -0.5323000 0.7894000 
1 1 1  -31    1   25 o   22.390   0.1916   22.430   0.2531   22.350   0.2877 0.8423000E-01 0.3832000 
1 1 1  -31    1   26 o   18.130   0.2201   17.200   0.2671   19.070   0.3501 -1.875000 0.4403000 
1 1 1  -31    1   27 o   9.5740   0.4497   9.5550   0.5407   9.5940   0.7187 -0.3950000E-01 0.8994000 
1 1 1  -31    1   28 o   3.7240   0.6640   4.5430   0.7673   2.9040   1.0840 1.639000 1.328000 
1 1 1  -31    1   29 o   2.1270   0.6523   2.0500   0.8915   2.2040   0.9524 -0.1546000 1.305000 
1 1 1  -31    1   30 o   5.4940   0.4952   5.3070   0.6875   5.6820   0.7130 -0.3754000 0.9905000 
1 1 1  -31    1   31 f   6.7290   0.4209   7.0630   0.5392   6.3960   0.6464 0.6669000 0.8417000 
1 1 1  -31    1   32 o   1.8670   0.5913   2.2980   0.9441   1.4360   0.7120 0.8615000 1.183000 
1 1 1  -31    1   33 o   1.8400   0.6047   1.6020   0.7712   2.0780   0.9316 -0.4764000 1.209000 
1 1 1  -31    3    1 f   37.800   0.2805   38.020   0.3987   37.590   0.3947 0.4239000 0.5610000 
1 1 1  -31    3    2 o   33.590   0.2175   33.510   0.3546   33.670   0.2520 -0.1614000 0.4350000 
1 1 1  -31    3    3 o   31.410   0.2039   31.220   0.3318   31.610   0.2370 -0.3919000 0.4077000 
1 1 1  -31    3    4 o   28.120   0.2744   28.220   0.4484   28.020   0.3165 0.1956000 0.5489000 
1 1 1  -31    3    5 o   37.580   0.2792   37.490   0.3937   37.670   0.3961 -0.1821000 0.5584000 
1 1 1  -31    3    7 o   47.140   0.3120   47.050   0.4828   47.220   0.3954 -0.1712000 0.6240000 
1 1 1  -31    3    8 o   45.120   0.2489   45.300   0.3269   44.940   0.3753 0.3571000 0.4977000 
1 1 1  -31    3    9 o   40.830   0.2276   41.070   0.2997   40.580   0.3427 0.4973000 0.4552000 
1 1 1  -31    3   10 o   28.660   0.2047   29.130   0.3192   28.200   0.2565 0.9284000 0.4094000 
1 1 1  -31    3   11 o   25.880   0.1727   26.400   0.2459   25.350   0.2425 1.052000 0.3453000 
1 1 1  -31    3   12 o   30.710   0.2187   30.720   0.2768   30.700   0.3387 0.2093000E-01 0.4374000 
1 1 1  -31    3   13 o   39.510   0.2687   39.740   0.3423   39.280   0.4142 0.4528000 0.5373000 
1 1 1  -31    3   14 o   36.720   0.2586   36.630   0.3256   36.810   0.4018 -0.1729000 0.5171000 
1 1 1  -31    3   15 o   23.330   0.2019   23.470   0.2551   23.180   0.3129 0.2908000 0.4037000 
1 1 1  -31    3   16 o   11.790   0.1896   11.940   0.2501   11.630   0.2850 0.3070000 0.3792000 
1 1 1  -31    3   17 o   9.6360   0.2269   9.8330   0.3002   9.4390   0.3403 0.3940000 0.4537000 
1 1 1  -31    3   18 o   33.760   0.2089   33.540   0.2731   33.980   0.3161 -0.4357000 0.4177000 
1 1 1  -31    3   19 o   9.3160   0.2711   8.5680   0.3491   10.060   0.4149 -1.497000 0.5423000 
1 1 1  -31    3   20 o   19.290   0.2022   19.190   0.2371   19.390   0.3277 -0.2011000 0.4045000 
1 1 1  -31    3   21 f   5.3120   0.5186   4.6940   0.7616   5.9300   0.7042 -1.236000 1.037000 
1 1 1  -31    3   22 o   22.760   0.1871   22.520   0.2483   23.010   0.2801 -0.4830000 0.3743000 
1 1 1  -31    3   23 o   20.660   0.2256   20.590   0.3537   20.720   0.2802 -0.1285000 0.4512000 
1 1 1  -31    3   24 o   5.8410   0.4994   5.9450   0.7801   5.7380   0.6236 0.2070000 0.9987000 
1 1 1  -31    3   25 o   15.280   0.2190   15.120   0.3154   15.440   0.3040 -0.3174000 0.4380000 
1 1 1  -31    3   26 o   10.050   0.3098   9.6660   0.4336   10.430   0.4426 -0.7634000 0.6196000 
1 1 1  -31    3   27 o   7.8610   0.3943   7.7550   0.4963   7.9660   0.6129 -0.2116000 0.7886000 
1 1 1  -31    3   28 f   9.0420   0.3002   8.8500   0.4090   9.2350   0.4396 -0.3851000 0.6004000 
1 1 1  -31    3   29 o   21.750   0.2045   21.910   0.2711   21.580   0.3064 0.3311000 0.4091000 
1 1 1  -31    3   30 o   12.800   0.2473   12.560   0.3363   13.040   0.3627 -0.4771000 0.4946000 
1 1 1  -31    3   31 o   7.0930   0.3998   7.1810   0.5358   7.0050   0.5934 0.1758000 0.7995000 
1 1 1  -31    3   32 o   2.8280   0.7019   2.2140   0.9375   3.4420   1.0450 -1.229000 1.404000 
1 1 1  -31    3   33 o   8.6180   0.4338   9.1600   0.5001   8.0750   0.7091 1.085000 0.8677000 
1 1 1  -31    5    1 o   8.2560   0.1853   8.0130   0.2710   8.4980   0.2528 -0.4853000 0.3706000 
1 1 1  -31    5    2 f   46.470   0.3105   46.420   0.4800   46.520   0.3939 -0.9870000E-01 0.6209000 
1 1 1  -31    5    3 o   8.9780   0.1468   9.0970   0.2144   8.8590   0.2007 0.2386000 0.2937000 
1 1 1  -31    5    4 o   37.450   0.2139   37.810   0.3270   37.100   0.2757 0.7148000 0.4277000 
1 1 1  -31    5    5 o   60.270   0.3299   60.500   0.5007   60.030   0.4296 0.4631000 0.6598000 
1 1 1  -31    5    6 o   29.970   0.1776   29.870   0.2696   30.070   0.2313 -0.2015000 0.3553000 
1 1 1  -31    5    7 o   56.740   0.3112   56.870   0.4721   56.610   0.4056 0.2595000 0.6224000 
1 1 1  -31    5    8 o   53.440   0.3151   53.150   0.4438   53.730   0.4475 -0.5760000 0.6303000 
1 1 1  -31    5    9 o   50.630   0.4493   49.400   0.7256   51.860   0.5300 -2.466000 0.8985000 
1 1 1  -31    5   10 o   10.080   0.2172   10.350   0.2959   9.8080   0.3180 0.5450000 0.4344000 
1 1 1  -31    5   11 o   31.310   0.1890   31.420   0.2470   31.200   0.2861 0.2254000 0.3779000 
1 1 1  -31    5   12 o   55.200   0.3062   54.720   0.3966   55.680   0.4666 -0.9617000 0.6123000 
1 1 1  -31    5   13 o   11.150   0.1853   10.910   0.2459   11.390   0.2774 -0.4760000 0.3707000 
1 1 1  -31    5   14 o   25.190   0.2109   25.330   0.2672   25.040   0.3263 0.2922000 0.4217000 
1 1 1  -31    5   15 o   38.020   0.2251   37.940   0.2943   38.110   0.3407 -0.1706000 0.4503000 
1 1 1  -31    5   16 o   40.150   0.2357   40.220   0.3095   40.080   0.3556 0.1446000 0.4714000 
1 1 1  -31    5   17 o   28.560   0.2164   28.820   0.2511   28.310   0.3526 0.5046000 0.4329000 
1 1 1  -31    5   18 o   24.450   0.2069   24.710   0.2390   24.200   0.3378 0.5132000 0.4138000 
1 1 1  -31    5   19 o   8.0810   0.2821   7.8230   0.3909   8.3390   0.4069 -0.5156000 0.5642000 
1 1 1  -31    5   20 o   10.880   0.2664   10.660   0.3516   11.110   0.4003 -0.4438000 0.5328000 
1 1 1  -31    5   21 o   4.9040   0.5880   5.8770   0.5215   3.9320   1.0540 1.945000 1.176000 
1 1 1  -31    5   22 o   16.870   0.2272   17.240   0.2890   16.500   0.3507 0.7326000 0.4545000 
1 1 1  -31    5   23 o   14.570   0.2039   14.730   0.2727   14.410   0.3031 0.3231000 0.4077000 
1 1 1  -31    5   24 o   16.400   0.1982   16.180   0.2664   16.620   0.2936 -0.4433000 0.3965000 
1 1 1  -31    5   25 o   2.2930   0.6984   2.1090   0.9718   2.4770   1.0030 -0.3674000 1.397000 
1 1 1  -31    5   26 o   3.1780   0.7094   2.8810   1.0350   3.4740   0.9709 -0.5929000 1.419000 
1 1 1  -31    5   27 o   8.5830   0.3803   8.6400   0.4719   8.5270   0.5965 0.1132000 0.7605000 
1 1 1  -31    5   28 o   2.9590   0.6971   3.3730   0.9718   2.5440   0.9995 0.8292000 1.394000 
1 1 1  -31    5   29 o   11.430   0.2609   11.670   0.3481   11.190   0.3888 0.4834000 0.5219000 
1 1 1  -31    5   30 o   8.5800   0.3315   8.3520   0.4601   8.8070   0.4773 -0.4547000 0.6630000 
1 1 1  -31    5   31 o   8.2870   0.3495   8.0360   0.4866   8.5380   0.5017 -0.5023000 0.6989000 
1 1 1  -31    5   32 f   8.7870   0.3464   9.0930   0.4529   8.4810   0.5243 0.6125000 0.6929000 
1 1 1  -31    7    1 o   28.780   0.2269   28.910   0.3212   28.650   0.3205 0.2558000 0.4538000 
1 1 1  -31    7    2 o   21.280   0.1626   21.240   0.2292   21.320   0.2307 -0.8904000E-01 0.3252000 
1 1 1  -31    7    3 o   38.580   0.2362   38.690   0.3347   38.470   0.3336 0.2246000 0.4725000 
1 1 1  -31    7    4 o   26.840   0.1741   26.870   0.2655   26.820   0.2252 0.4985000E-01 0.3481000 
1 1 1  -31    7    5 o   36.560   0.2143   36.580   0.3254   36.540   0.2788 0.4094000E-01 0.4285000 
1 1 1  -31    7    6 o   40.230   0.2659   40.740   0.4403   39.730   0.2981 1.010000 0.5317000 
1 1 1  -31    7    7 o   17.810   0.1775   18.130   0.2748   17.490   0.2249 0.6433000 0.3551000 
1 1 1  -31    7    8 o   48.960   0.2747   48.760   0.4146   49.160   0.3605 -0.4019000 0.5494000 
1 1 1  -31    7    9 f   16.550   0.1896   16.960   0.2936   16.130   0.2400 0.8338000 0.3792000 
1 1 1  -31    7   10 o   36.380   0.2317   35.980   0.3249   36.780   0.3305 -0.8000000 0.4635000 
1 1 1  -31    7   11 o   33.130   0.2176   33.020   0.3074   33.240   0.3082 -0.2198000 0.4353000 
1 1 1  -31    7   12 o   40.360   0.2525   40.150   0.3558   40.570   0.3583 -0.4204000 0.5049000 
1 1 1  -31    7   13 o   16.430   0.2183   16.590   0.2726   16.270   0.3411 0.3193000 0.4366000 
1 1 1  -31    7   14 o   35.160   0.2302   35.370   0.3281   34.940   0.3229 0.4270000 0.4604000 
1 1 1  -31    7   15 o   32.360   0.2480   32.440   0.3152   32.290   0.3829 0.1552000 0.4959000 
1 1 1  -31    7   16 o   53.290   0.3442   52.990   0.3928   53.590   0.5654 -0.5976000 0.6884000 
1 1 1  -31    7   17 o   3.9160   0.6426   4.3140   0.7134   3.5180   1.0690 0.7956000 1.285000 
1 1 1  -31    7   18 o   38.160   0.2320   38.140   0.3040   38.180   0.3507 -0.3436000E-01 0.4641000 
1 1 1  -31    7   19 o   15.640   0.2309   15.640   0.2883   15.640   0.3608 0.5897000E-02 0.4618000 
1 1 1  -31    7   20 o   23.990   0.1872   23.710   0.2456   24.280   0.2826 -0.5617000 0.3745000 
1 1 1  -31    7   21 o   25.260   0.1919   25.050   0.2526   25.480   0.2890 -0.4281000 0.3838000 
1 1 1  -31    7   22 o   20.900   0.2010   21.100   0.2872   20.700   0.2813 0.4068000 0.4020000 
1 1 1  -31    7   23 o   9.2440   0.2769   9.7600   0.3489   8.7280   0.4301 1.032000 0.5538000 
1 1 1  -31    7   24 o   1.7950   0.5947   1.7080   0.8124   1.8820   0.8687 -0.1745000 1.189000 
1 1 1  -31    7   25 o   3.0220   0.6997   2.9760   0.9642   3.0690   1.0140 -0.9287000E-01 1.399000 
1 1 1  -31    7   26 o   3.5790   0.9029   4.1660   1.4250   2.9910   1.1090 1.175000 1.806000 
1 1 1  -31    7   27 o   7.0260   0.6083   7.1170   1.0740   6.9350   0.5720 0.1823000 1.217000 
1 1 1  -31    7   28 o   2.9410   0.6654   3.6660   0.9461   2.2150   0.9360 1.451000 1.331000 
1 1 1  -31    7   29 o   5.7030   0.4809   6.1160   0.6004   5.2890   0.7513 0.8273000 0.9618000 
1 1 1  -31    7   30 o   9.8860   0.2979   10.060   0.3936   9.7120   0.4472 0.3472000 0.5957000 
1 1 1  -31    7   31 o   2.2070   0.6625   2.3620   0.9598   2.0510   0.9136 0.3110000 1.325000 
1 1 1  -31    7   32 o   5.0740   0.6915   5.5950   0.7970   4.5520   1.1300 1.043000 1.383000 
1 1 1  -31    9    1 o   36.520   0.2564   36.920   0.3319   36.120   0.3910 0.8021000 0.5128000 
1 1 1  -31    9    2 o   22.380   0.1932   22.130   0.2511   22.640   0.2937 -0.5132000 0.3864000 
1 1 1  -31    9    3 o   15.090   0.1783   15.310   0.2189   14.880   0.2814 0.4317000 0.3565000 
1 1 1  -31    9    4 o   12.070   0.1989   12.040   0.2428   12.100   0.3152 -0.6057000E-01 0.3979000 
1 1 1  -31    9    5 o   20.720   0.1526   20.800   0.2139   20.640   0.2176 0.1536000 0.3051000 
1 1 1  -31    9    6 o   14.020   0.1765   14.210   0.2667   13.820   0.2313 0.3864000 0.3531000 
1 1 1  -31    9    7 o   23.540   0.2032   24.010   0.3383   23.060   0.2251 0.9537000 0.4063000 
1 1 1  -31    9    8 o   43.610   0.2527   43.930   0.3848   43.300   0.3277 0.6312000 0.5055000 
1 1 1  -31    9    9 f   48.090   0.2742   47.820   0.4137   48.360   0.3601 -0.5363000 0.5485000 
1 1 1  -31    9   10 o   38.380   0.2298   38.290   0.3474   38.480   0.3010 -0.1854000 0.4597000 
1 1 1  -31    9   11 o   15.410   0.2267   15.170   0.2876   15.650   0.3506 -0.4790000 0.4535000 
1 1 1  -31    9   12 o   15.020   0.2331   14.940   0.2952   15.110   0.3609 -0.1657000 0.4662000 
1 1 1  -31    9   13 o   19.010   0.2213   18.610   0.2819   19.410   0.3412 -0.8006000 0.4425000 
1 1 1  -31    9   14 o   18.820   0.2478   19.450   0.3483   18.190   0.3524 1.269000 0.4955000 
1 1 1  -31    9   15 o   35.410   0.2672   35.690   0.3388   35.130   0.4133 0.5604000 0.5344000 
1 1 1  -31    9   16 o   25.210   0.2043   25.600   0.2925   24.820   0.2854 0.7747000 0.4086000 
1 1 1  -31    9   17 o   10.480   0.3304   11.000   0.4467   9.9690   0.4869 1.031000 0.6607000 
1 1 1  -31    9   18 o   15.130   0.2167   15.510   0.3120   14.740   0.3009 0.7705000 0.4334000 
1 1 1  -31    9   19 o   21.920   0.2052   21.820   0.2980   22.020   0.2821 -0.1993000 0.4103000 
1 1 1  -31    9   20 o   16.510   0.2152   16.360   0.3144   16.660   0.2940 -0.2964000 0.4305000 
1 1 1  -31    9   21 o   22.150   0.2538   22.550   0.3601   21.760   0.3579 0.7895000 0.5077000 
1 1 1  -31    9   22 o   8.2100   0.3073   8.0290   0.4166   8.3920   0.4519 -0.3629000 0.6147000 
1 1 1  -31    9   23 o   1.9980   0.6381   2.1070   0.9267   1.8880   0.8775 0.2194000 1.276000 
1 1 1  -31    9   24 o   19.830   0.2124   20.090   0.3037   19.580   0.2971 0.5104000 0.4248000 
1 1 1  -31    9   25 o   13.850   0.2275   13.940   0.3003   13.770   0.3420 0.1661000 0.4551000 
1 1 1  -31    9   26 o   22.320   0.2471   22.690   0.3120   21.940   0.3833 0.7505000 0.4942000 
1 1 1  -31    9   27 o   11.140   0.3377   10.740   0.5591   11.550   0.3790 -0.8090000 0.6755000 
1 1 1  -31    9   28 o   7.1480   0.4787   7.6830   0.7505   6.6130   0.5943 1.071000 0.9573000 
1 1 1  -31    9   29 f   7.9130   0.3512   8.1970   0.4660   7.6290   0.5256 0.5680000 0.7024000 
1 1 1  -31    9   30 o   2.2630   0.6721   2.2780   0.9492   2.2470   0.9519 0.3089000E-01 1.344000 
1 1 1  -31    9   31 o   1.8650   0.6274   1.8330   0.8629   1.8970   0.9110 -0.6439000E-01 1.255000 
1 1 1  -31   11    1 o   11.780   0.2215   11.190   0.3384   12.360   0.2859 -1.169000 0.4430000 
1 1 1  -31   11    2 o   23.880   0.2273   24.360   0.3477   23.400   0.2929 0.9535000 0.4546000 
1 1 1  -31   11    3 o   19.130   0.2558   18.770   0.2889   19.500   0.4221 -0.7303000 0.5115000 
1 1 1  -31   11    4 o   14.690   0.2666   14.440   0.3052   14.940   0.4372 -0.4944000 0.5332000 
1 1 1  -31   11    5 o   34.570   0.2609   34.950   0.3316   34.200   0.4028 0.7545000 0.5217000 
1 1 1  -31   11    6 o   23.170   0.1993   23.090   0.2799   23.240   0.2839 -0.1543000 0.3987000 
1 1 1  -31   11    7 o   16.110   0.2241   16.430   0.2852   15.780   0.3458 0.6493000 0.4482000 
1 1 1  -31   11    8 o   9.8770   0.2764   10.050   0.3752   9.7070   0.4059 0.3400000 0.5527000 
1 1 1  -31   11    9 o   25.170   0.1906   24.900   0.2892   25.450   0.2483 -0.5515000 0.3812000 
1 1 1  -31   11   10 o   31.620   0.2083   31.650   0.3164   31.580   0.2711 0.7576000E-01 0.4167000 
1 1 1  -31   11   11 o   15.810   0.2978   15.810   0.2978  ?   ?       ?      ? 
1 1 1  -31   11   12 o   37.270   0.2788   37.090   0.3495   37.460   0.4344 -0.3662000 0.5576000 
1 1 1  -31   11   13 o   35.220   0.2694   34.980   0.3381   35.450   0.4195 -0.4680000 0.5388000 
1 1 1  -31   11   14 o   20.750   0.2480   21.060   0.3505   20.440   0.3508 0.6178000 0.4959000 
1 1 1  -31   11   15 o   3.7610   0.7800   3.9830   1.0800   3.5400   1.1260 0.4426000 1.560000 
1 1 1  -31   11   16 o   39.760   0.2615   39.630   0.3698   39.890   0.3699 -0.2530000 0.5231000 
1 1 1  -31   11   17 o   7.1360   0.3833   7.3080   0.5365   6.9640   0.5476 0.3439000 0.7666000 
1 1 1  -31   11   18 o   13.720   0.2350   14.160   0.3290   13.290   0.3356 0.8748000 0.4700000 
1 1 1  -31   11   19 o   5.1130   0.5308   5.2390   0.7254   4.9870   0.7752 0.2518000 1.062000 
1 1 1  -31   11   20 o   10.750   0.3031   10.710   0.4696   10.800   0.3834 -0.9036000E-01 0.6062000 
1 1 1  -31   11   21 o   9.8430   0.3704   9.5470   0.5694   10.140   0.4737 -0.5913000 0.7407000 
1 1 1  -31   11   22 o   4.9160   0.5795   4.5380   0.9061   5.2940   0.7228 -0.7560000 1.159000 
1 1 1  -31   11   23 o   4.7560   0.6106   5.8110   0.7152   3.7010   0.9899 2.110000 1.221000 
1 1 1  -31   11   24 o   8.0230   0.3668   8.1870   0.5321   7.8590   0.5048 0.3278000 0.7335000 
1 1 1  -31   11   25 f   10.830   0.3366   11.060   0.4331   10.600   0.5152 0.4627000 0.6731000 
1 1 1  -31   11   26 o   14.300   0.2352   14.230   0.3177   14.370   0.3469 -0.1419000 0.4705000 
1 1 1  -31   11   27 o   4.3550   0.6350   4.5180   0.8570   4.1910   0.9373 0.3269000 1.270000 
1 1 1  -31   11   28 o   7.8720   0.4189   7.8560   0.6489   7.8880   0.5300 -0.3121000E-01 0.8378000 
1 1 1  -31   11   29 o   2.4950   0.7463   2.4880   1.1050   2.5030   1.0040 -0.1514000E-01 1.493000 
1 1 1  -31   11   30 o   4.1880   0.7755   4.6040   0.9891   3.7730   1.1950 0.8307000 1.551000 
1 1 1  -31   13    1 o   14.460   0.2375   14.170   0.3548   14.750   0.3157 -0.5773000 0.4749000 
1 1 1  -31   13    2 o   33.720   0.2043   33.440   0.2869   33.990   0.2908 -0.5528000 0.4085000 
1 1 1  -31   13    3 o   27.570   0.1861   27.450   0.2620   27.690   0.2644 -0.2429000 0.3722000 
1 1 1  -31   13    4 o   37.740   0.2612   37.920   0.3063   37.570   0.4232 0.3468000 0.5224000 
1 1 1  -31   13    5 o   23.780   0.2101   23.650   0.2490   23.910   0.3385 -0.2627000 0.4202000 
1 1 1  -31   13    6 o   26.570   0.2163   26.230   0.2546   26.920   0.3498 -0.6938000 0.4326000 
1 1 1  -31   13    7 f   12.580   0.2529   12.680   0.3497   12.480   0.3654 0.2010000 0.5057000 
1 1 1  -31   13    8 o   3.3660   0.7221   2.7600   1.0800   3.9720   0.9591 -1.212000 1.444000 
1 1 1  -31   13    9 o   46.420   0.4459   46.410   0.5044   46.430   0.7355 -0.2203000E-01 0.8919000 
1 1 1  -31   13   10 o   13.560   0.6727  ?   ?    13.560   0.6727      ?      ? 
1 1 1  -31   13   11 o   6.7280   0.5346   6.8840   0.7025   6.5710   0.8060 0.3126000 1.069000 
1 1 1  -31   13   12 o   15.270   0.2144   15.250   0.3251   15.280   0.2796 -0.3021000E-01 0.4288000 
1 1 1  -31   13   13 o   14.740   0.2176   15.140   0.3224   14.340   0.2924 0.8024000 0.4352000 
1 1 1  -31   13   14 o   9.1290   0.3259   8.9090   0.4700   9.3500   0.4517 -0.4408000 0.6519000 
1 1 1  -31   13   15 o   24.130   0.2146   24.190   0.3055   24.080   0.3014 0.1083000 0.4291000 
1 1 1  -31   13   16 o   9.3750   0.3157   9.6880   0.4411   9.0620   0.4517 0.6261000 0.6314000 
1 1 1  -31   13   17 f   15.230   0.2321   15.230   0.3321   15.230   0.3244 0.6189000E-03 0.4643000 
1 1 1  -31   13   18 o   14.930   0.2618   14.750   0.4036   15.100   0.3335 -0.3527000 0.5236000 
1 1 1  -31   13   19 o   8.1380   0.5334   8.7540   0.8605   7.5230   0.6305 1.230000 1.067000 
1 1 1  -31   13   20 o   16.900   0.2284   16.810   0.3254   16.990   0.3206 -0.1854000 0.4568000 
1 1 1  -31   13   21 o   13.970   0.2447   13.710   0.3530   14.230   0.3389 -0.5148000 0.4894000 
1 1 1  -31   13   22 o   16.070   0.2310   16.300   0.3305   15.850   0.3229 0.4531000 0.4620000 
1 1 1  -31   13   23 o   7.3590   0.4026   7.1620   0.5998   7.5560   0.5373 -0.3932000 0.8052000 
1 1 1  -31   13   24 o   11.040   0.3229   11.060   0.4179   11.020   0.4924 0.3607000E-01 0.6458000 
1 1 1  -31   13   25 o   13.710   0.2587   13.790   0.3702   13.640   0.3614 0.1411000 0.5174000 
1 1 1  -31   13   26 o   14.920   0.2497   14.680   0.3628   15.160   0.3433 -0.4799000 0.4995000 
1 1 1  -31   13   27 o   3.0430   0.6328   1.8160   0.8595   4.2700   0.9290 -2.455000 1.266000 
1 1 1  -31   13   28 o   3.4030   0.7239   3.8380   0.9874   2.9680   1.0590 0.8709000 1.448000 
1 1 1  -31   13   29 o   2.0790   0.6973   2.0220   0.9800   2.1370   0.9923 -0.1153000 1.395000 
1 1 1  -31   15    1 o   6.2670   0.4356   5.9230   0.6751   6.6110   0.5505 -0.6879000 0.8711000 
1 1 1  -31   15    2 o   6.5260   0.3947   6.5500   0.5535   6.5020   0.5629 0.4841000E-01 0.7894000 
1 1 1  -31   15    3 o   11.830   0.2622   12.070   0.3286   11.600   0.4086 0.4780000 0.5243000 
1 1 1  -31   15    4 o   25.220   0.1863   25.030   0.2610   25.410   0.2659 -0.3767000 0.3726000 
1 1 1  -31   15    5 o   14.780   0.2046   14.730   0.2843   14.830   0.2943 -0.9816000E-01 0.4092000 
1 1 1  -31   15    6 o   20.040   0.2209   20.710   0.2589   19.380   0.3580 1.327000 0.4418000 
1 1 1  -31   15    7 o   3.7610   1.0420   3.7610   1.0420  ?   ?       ?      ? 
1 1 1  -31   15    8 f   15.280   0.3632   15.940   0.3307   14.630   0.6468 1.307000 0.7265000 
1 1 1  -31   15    9 o   26.080   0.2178   26.520   0.3107   25.650   0.3054 0.8702000 0.4357000 
1 1 1  -31   15   10 o   9.2100   0.3110   9.7540   0.4617   8.6670   0.4170 1.087000 0.6221000 
1 1 1  -31   15   11 o   15.930   0.2194   16.070   0.3351   15.780   0.2832 0.2900000 0.4388000 
1 1 1  -31   15   12 o   18.680   0.2058   18.720   0.3143   18.630   0.2657 0.8816000E-01 0.4116000 
1 1 1  -31   15   13 o   3.9040   0.6705   3.8290   1.0200   3.9800   0.8703 -0.1513000 1.341000 
1 1 1  -31   15   14 o   14.750   0.2285   15.030   0.3411   14.460   0.3041 0.5677000 0.4570000 
1 1 1  -31   15   15 o   9.6350   0.3580   10.040   0.5596   9.2340   0.4468 0.8019000 0.7161000 
1 1 1  -31   15   16 o   8.4190   0.5779   7.7440   1.0170   9.0930   0.5494 -1.349000 1.156000 
1 1 1  -31   15   17 o   8.4660   0.4022   8.0910   0.6425   8.8420   0.4840 -0.7515000 0.8044000 
1 1 1  -31   15   18 o   15.180   0.2427   15.440   0.3459   14.920   0.3404 0.5175000 0.4853000 
1 1 1  -31   15   19 o   5.2740   0.5614   4.4030   0.9171   6.1450   0.6480 -1.742000 1.123000 
1 1 1  -31   15   20 o   3.0820   0.7224   2.5850   1.0290   3.5780   1.0140 -0.9932000 1.445000 
1 1 1  -31   15   21 o   11.110   0.2973   10.930   0.4236   11.300   0.4174 -0.3753000 0.5947000 
1 1 1  -31   15   22 o   11.290   0.3337   11.460   0.4055   11.110   0.5300 0.3418000 0.6674000 
1 1 1  -31   15   23 o   18.150   0.2625   17.950   0.3332   18.340   0.4057 -0.3863000 0.5250000 
1 1 1  -31   15   24 o   9.4500   0.3428   9.2630   0.5026   9.6370   0.4662 -0.3735000 0.6855000 
1 1 1  -31   15   25 o   3.0220   0.7546   3.2830   1.0960   2.7600   1.0370 0.5234000 1.509000 
1 1 1  -31   15   26 o   7.4890   0.4094   7.4580   0.5891   7.5210   0.5687 -0.6260000E-01 0.8188000 
1 1 1  -31   15   27 o   5.1370   0.7761   5.6690   1.0180   4.6060   1.1720 1.063000 1.552000 
1 1 1  -31   15   28 o   2.7060   0.7496   2.5940   1.0540   2.8180   1.0660 -0.2242000 1.499000 
1 1 1  -31   17    1 o   9.4510   0.3266   9.0500   0.5019   9.8530   0.4181 -0.8037000 0.6532000 
1 1 1  -31   17    2 o   5.3420   0.5065   5.0100   0.7598   5.6740   0.6701 -0.6634000 1.013000 
1 1 1  -31   17    3 o   10.190   0.2784   10.160   0.3884   10.210   0.3989 -0.5909000E-01 0.5567000 
1 1 1  -31   17    4 o   9.2610   0.3945   9.4410   0.4017   9.0810   0.6792 0.3598000 0.7891000 
1 1 1  -31   17    5 o   15.690   0.2711   15.110   0.2948   16.280   0.4551 -1.167000 0.5422000 
1 1 1  -31   17    6 o   6.8770   0.5186   6.9200   0.5275   6.8330   0.8929 0.8707000E-01 1.037000 
1 1 1  -31   17    7 o   20.380   0.2448   20.340   0.3258   20.420   0.3655 -0.8331000E-01 0.4896000 
1 1 1  -31   17    8 o   10.550   0.3375   11.000   0.4327   10.110   0.5181 0.8896000 0.6750000 
1 1 1  -31   17    9 o   20.240   0.2446   19.830   0.3242   20.650   0.3664 -0.8259000 0.4893000 
1 1 1  -31   17   10 o   8.3260   0.4271   8.3020   0.6925   8.3490   0.5002 -0.4617000E-01 0.8542000 
1 1 1  -31   17   11 o   4.8980   0.7627   3.9460   1.2470   5.8490   0.8785 -1.903000 1.525000 
1 1 1  -31   17   12 o   5.0750   0.8706   5.5390   1.3830   4.6110   1.0570 0.9287000 1.741000 
1 1 1  -31   17   13 o   14.310   0.2843   14.800   0.4330   13.830   0.3684 0.9795000 0.5685000 
1 1 1  -31   17   14 o   8.1160   0.3654   7.5170   0.5875   8.7160   0.4346 -1.199000 0.7308000 
1 1 1  -31   17   15 o   5.0280   0.5620   5.0620   0.8347   4.9940   0.7527 0.6771000E-01 1.124000 
1 1 1  -31   17   16 o   5.9430   0.4913   6.3280   0.6704   5.5580   0.7183 0.7699000 0.9826000 
1 1 1  -31   17   17 o   7.8540   0.3930   7.4980   0.5830   8.2100   0.5271 -0.7121000 0.7859000 
1 1 1  -31   17   18 o   8.8170   0.3639   9.3570   0.4890   8.2770   0.5391 1.081000 0.7278000 
1 1 1  -31   17   19 o   9.4600   0.3396   9.2050   0.4940   9.7160   0.4662 -0.5117000 0.6793000 
1 1 1  -31   17   20 o   7.0170   0.4869   6.3740   0.6782   7.6600   0.6988 -1.286000 0.9739000 
1 1 1  -31   17   21 o   3.0110   0.7810   3.0730   1.0740   2.9490   1.1340 0.1233000 1.562000 
1 1 1  -31   17   22 o   8.1570   0.3917   7.9570   0.5711   8.3560   0.5363 -0.3985000 0.7834000 
1 1 1  -31   17   23 o   14.370   0.2656   14.450   0.3744   14.280   0.3767 0.1719000 0.5311000 
1 1 1  -31   17   24 o   10.230   0.3348   10.220   0.4689   10.240   0.4779 -0.2261000E-01 0.6695000 
1 1 1  -31   17   25 o   5.1730   0.8035   5.7240   0.9792   4.6220   1.2740 1.102000 1.607000 
1 1 1  -31   17   26 o   2.1690   0.6765   2.6760   1.0850   1.6620   0.8084 1.013000 1.353000 
1 1 1  -31   17   27 o   8.3360   0.4051   8.1940   0.6006   8.4780   0.5437 -0.2836000 0.8101000 
1 1 1  -31   19    1 o   3.5650   0.8656   3.3950   1.1230   3.7350   1.3170 -0.3397000 1.731000 
1 1 1  -31   19    2 o   2.3100   0.7353   1.8870   0.8668   2.7330   1.1880 -0.8464000 1.471000 
1 1 1  -31   19    3 o   5.1610   0.7152   6.0640   0.6225   4.2580   1.2880 1.806000 1.430000 
1 1 1  -31   19    4 o   10.480   0.2793   10.440   0.3937   10.520   0.3964 -0.7364000E-01 0.5587000 
1 1 1  -31   19    5 o   11.060   0.2641   10.710   0.3770   11.410   0.3701 -0.6985000 0.5283000 
1 1 1  -31   19    6 o   8.9810   0.3137   9.2470   0.4250   8.7150   0.4614 0.5316000 0.6273000 
1 1 1  -31   19    7 o   6.1490   0.4654   7.3370   0.5097   4.9620   0.7789 2.376000 0.9308000 
1 1 1  -31   19    8 o   6.8610   0.4436   6.2170   0.7114   7.5040   0.5301 -1.286000 0.8872000 
1 1 1  -31   19    9 o   8.7940   0.4037   9.0080   0.5136   8.5800   0.6230 0.4281000 0.8075000 
1 1 1  -31   19   10 o   14.320   0.2866   14.330   0.3765   14.320   0.4321 0.1121000E-01 0.5732000 
1 1 1  -31   19   11 o   2.2210   0.6788   2.1440   0.9658   2.2990   0.9541 -0.1547000 1.358000 
1 1 1  -31   19   12 o   7.3720   0.3995   7.2750   0.6161   7.4680   0.5089 -0.1929000 0.7991000 
1 1 1  -31   19   13 o   9.8530   0.3105   9.6000   0.4802   10.110   0.3938 -0.5068000 0.6210000 
1 1 1  -31   19   14 o   3.5420   0.7035   2.8870   1.0850   4.1970   0.8962 -1.311000 1.407000 
1 1 1  -31   19   15 o   4.1620   0.6814   3.8340   1.0680   4.4900   0.8468 -0.6563000 1.363000 
1 1 1  -31   19   16 o   15.380   0.2374   15.400   0.3569   15.350   0.3133 0.5466000E-01 0.4749000 
1 1 1  -31   19   17 o   14.600   0.2599   14.830   0.3658   14.370   0.3692 0.4622000 0.5197000 
1 1 1  -31   19   18 o   5.2980   0.5884   5.5650   0.7956   5.0310   0.8670 0.5342000 1.177000 
1 1 1  -31   19   19 f   2.8200   0.7496   3.1550   1.0840   2.4850   1.0350 0.6697000 1.499000 
1 1 1  -31   19   20 o   4.3650   0.7101   4.4320   0.9948   4.2980   1.0140 0.1340000 1.420000 
1 1 1  -31   19   21 o   7.9260   0.4048   7.8830   0.5711   7.9690   0.5738 -0.8585000E-01 0.8095000 
1 1 1  -31   19   22 o   7.5600   0.5378   7.3860   0.7309   7.7350   0.7892 -0.3499000 1.076000 
1 1 1  -31   19   23 o   2.9870   0.8174   3.5680   1.2220   2.4060   1.0850 1.162000 1.635000 
1 1 1  -31   19   24 o   4.6920   0.7076   4.7010   1.0070   4.6840   0.9946 0.1715000E-01 1.415000 
1 1 1  -31   19   25 o   4.7380   0.6945   4.2570   1.0640   5.2200   0.8923 -0.9630000 1.389000 
1 1 1  -31   21    1 o   4.5280   0.6335   3.5990   1.0260   5.4560   0.7431 -1.858000 1.267000 
1 1 1  -31   21    2 o   6.8600   0.4123   7.0640   0.5677   6.6550   0.5981 0.4093000 0.8247000 
1 1 1  -31   21    3 o   10.210   0.2935   10.840   0.3896   9.5710   0.4392 1.272000 0.5871000 
1 1 1  -31   21    4 o   6.6810   0.4191   6.7450   0.5857   6.6160   0.5995 0.1285000 0.8381000 
1 1 1  -31   21    5 o   3.1070   0.6327   1.9180   0.8852   4.2970   0.9043 -2.379000 1.265000 
1 1 1  -31   21    6 o   6.1750   0.4391   6.2230   0.6059   6.1270   0.6356 0.9582000E-01 0.8782000 
1 1 1  -31   21    7 o   8.9620   0.3149   9.2310   0.4263   8.6930   0.4637 0.5377000 0.6299000 
1 1 1  -31   21    8 o   3.2670   0.7431   3.8060   1.0770   2.7290   1.0240 1.077000 1.486000 
1 1 1  -31   21    9 o   5.4440   0.5688   6.2420   0.7357   4.6450   0.8678 1.596000 1.138000 
1 1 1  -31   21   10 o   10.910   0.3508   11.140   0.4470   10.690   0.5408 0.4527000 0.7016000 
1 1 1  -31   21   11 o   2.3640   0.7287   2.6110   1.0750   2.1180   0.9844 0.4927000 1.457000 
1 1 1  -31   21   12 o   8.8720   0.3759   9.0970   0.5367   8.6470   0.5265 0.4500000 0.7518000 
1 1 1  -31   21   13 o   3.8500   0.7215   4.6440   0.9489   3.0550   1.0870 1.589000 1.443000 
1 1 1  -31   21   14 o   10.900   0.3156   10.460   0.4594   11.340   0.4328 -0.8791000 0.6312000 
1 1 1  -31   21   15 o   11.890   0.2989   11.670   0.4249   12.110   0.4204 -0.4361000 0.5978000 
1 1 1  -31   21   16 o   8.7060   0.3547   8.8460   0.5282   8.5670   0.4736 0.2787000 0.7095000 
1 1 1  -31   21   17 o   12.670   0.2720   12.520   0.4095   12.810   0.3580 -0.2862000 0.5439000 
1 1 1  -31   21   18 o   5.6930   0.5608   4.8820   0.9327   6.5040   0.6228 -1.623000 1.122000 
1 1 1  -31   21   19 o   7.8930   0.4771   7.4780   0.7266   8.3080   0.6186 -0.8300000 0.9543000 
1 1 1  -31   21   20 o   2.6280   0.7572   2.0970   0.9795   3.1580   1.1550 -1.061000 1.514000 
1 1 1  -31   21   21 o   2.8470   0.7407   3.5080   1.1170   2.1850   0.9735 1.324000 1.481000 
1 1 1  -31   21   22 o   3.4690   0.7457   4.3180   1.0440   2.6200   1.0650 1.698000 1.491000 
1 1 1  -31   21   23 o   2.0870   0.6684   1.8920   0.8919   2.2830   0.9959 -0.3911000 1.337000 
1 1 1  -31   23    1 o   3.7040   0.7007   2.8760   1.0550   4.5320   0.9222 -1.656000 1.401000 
1 1 1  -31   23    2 f   4.5720   0.6379   3.9800   0.9959   5.1650   0.7975 -1.185000 1.276000 
1 1 1  -31   23    3 o   2.4650   0.7042   2.3920   0.9831   2.5370   1.0080 -0.1453000 1.408000 
1 1 1  -31   23    4 o   4.5560   0.6279   3.9480   0.9873   5.1650   0.7762 -1.216000 1.256000 
1 1 1  -31   23    5 o   2.6330   0.7152   2.3670   0.9829   2.8980   1.0390 -0.5310000 1.430000 
1 1 1  -31   23    6 o   9.7050   0.3083   9.9090   0.4278   9.5010   0.4440 0.4078000 0.6166000 
1 1 1  -31   23    7 o   2.9640   0.7391   2.4830   0.9963   3.4450   1.0920 -0.9620000 1.478000 
1 1 1  -31   23    8 o   1.9230   0.6219   1.6460   0.8037   2.2000   0.9493 -0.5538000 1.244000 
1 1 1  -31   23    9 o   4.6280   0.6474   4.9240   0.9239   4.3320   0.9072 0.5919000 1.295000 
1 1 1  -31   23   10 o   6.7770   0.4475   6.8720   0.6674   6.6820   0.5963 0.1904000 0.8950000 
1 1 1  -31   23   11 f   10.600   0.3683   10.900   0.4804   10.290   0.5583 0.6091000 0.7365000 
1 1 1  -31   23   12 o   6.2170   0.5883   5.8300   0.8291   6.6030   0.8349 -0.7721000 1.177000 
1 1 1  -31   23   13 o   5.5180   0.6064   6.2450   0.7641   4.7910   0.9418 1.453000 1.213000 
1 1 1  -31   23   14 o   7.7400   0.4859   7.5360   0.7554   7.9440   0.6115 -0.4080000 0.9719000 
1 1 1  -31   23   15 o   4.1470   0.7963   3.5150   1.2200   4.7790   1.0230 -1.263000 1.593000 
1 1 1  -31   23   16 o   4.5230   0.7215   5.3290   0.8974   3.7180   1.1300 1.611000 1.443000 
1 1 1  -31   23   17 o   2.6810   0.7260   3.2020   1.1030   2.1610   0.9439 1.042000 1.452000 
1 1 1  -31   23   18 o   9.1890   0.3804   9.3040   0.5137   9.0750   0.5612 0.2298000 0.7608000 
1 1 1  -31   23   19 o   3.2860   0.7295   4.2140   1.0570   2.3570   1.0060 1.857000 1.459000 
1 1 1  -31   23   20 o   3.3060   0.7797   3.6170   1.1280   2.9960   1.0770 0.6207000 1.559000 
1 1 1  -31   25    1 o   4.3380   0.7361   5.2960   0.9157   3.3810   1.1530 1.914000 1.472000 
1 1 1  -31   25    2 o   2.1380   0.6816   2.4100   1.0360   1.8660   0.8861 0.5446000 1.363000 
1 1 1  -31   25    3 o   3.3100   0.7699   3.9540   1.0970   2.6660   1.0800 1.288000 1.540000 
1 1 1  -31   25    4 o   9.9140   0.3572   9.8930   0.5048   9.9350   0.5055 -0.4211000E-01 0.7144000 
1 1 1  -31   25    5 o   2.5720   0.7317   3.0860   1.1160   2.0590   0.9471 1.027000 1.463000 
1 1 1  -31   25    6 o   3.0810   0.7874   2.9680   1.1080   3.1930   1.1190 -0.2251000 1.575000 
1 1 1  -31   25    7 o   2.3450   0.7148   2.5850   1.0660   2.1060   0.9531 0.4796000 1.430000 
1 1 1  -31   25    8 o   3.4850   0.7907   2.7140   1.1550   4.2570   1.0800 -1.543000 1.581000 
1 1 1  -31   25    9 o   4.9230   0.6445   5.5500   0.8720   4.2960   0.9494 1.254000 1.289000 
1 1 1  -31   25   10 o   7.5790   0.4165   7.8800   0.6140   7.2770   0.5631 0.6031000 0.8331000 
1 1 1  -31   25   11 o   4.3200   0.7261   3.8220   1.1680   4.8180   0.8634 -0.9964000 1.452000 
1 1 1  -31   25   12 o   6.1670   0.5769   6.5430   0.7713   5.7910   0.8581 0.7520000 1.154000 
1 1 1  -31   25   13 o   2.9360   0.8119   2.4380   1.0540   3.4340   1.2350 -0.9959000 1.624000 
1 1 1  -31   25   14 o   4.0830   0.7772   3.8780   1.1150   4.2870   1.0830 -0.4098000 1.554000 
1 1 1  -31   25   15 o   4.3040   0.7164   4.2740   1.0620   4.3340   0.9625 -0.6047000E-01 1.433000 
1 1 1  -31   25   16 o   4.9280   0.6515   4.9470   0.9726   4.9080   0.8670 0.3941000E-01 1.303000 
1 1 1  -31   25   17 o   4.5060   0.7045   4.7770   0.9918   4.2360   1.0010 0.5413000 1.409000 
1 1 1  -31   27    1 o   2.2200   0.6940   2.3090   1.0100   2.1310   0.9520 0.1780000 1.388000 
1 1 1  -31   27    2 o   2.0340   0.6556   2.1440   0.9605   1.9240   0.8927 0.2208000 1.311000 
1 1 1  -31   27    3 o   2.4380   0.7209   2.3950   1.0160   2.4800   1.0230 -0.8479000E-01 1.442000 
1 1 1  -31   27    4 o   3.2240   0.7346   3.9360   1.0530   2.5120   1.0250 1.424000 1.469000 
1 1 1  -31   27    5 o   3.0040   0.7290   2.4170   1.0150   3.5910   1.0470 -1.174000 1.458000 
1 1 1  -31   27    6 o   3.2020   0.7463   2.7580   1.0650   3.6460   1.0460 -0.8875000 1.493000 
1 1 1  -31   27    7 o   2.4790   0.7189   2.6730   1.0560   2.2850   0.9760 0.3872000 1.438000 
1 1 1  -31   27    8 o   2.8640   0.7747   2.7750   1.1240   2.9530   1.0670 -0.1785000 1.549000 
1 1 1  -31   27    9 o   3.7830   0.7827   3.8240   1.1590   3.7420   1.0530 0.8145000E-01 1.565000 
1 1 1  -31   27   10 o   4.7170   0.6895   3.8890   1.1440   5.5450   0.7696 -1.656000 1.379000 
1 1 1  -31   27   11 o   5.3290   0.6326   4.8900   1.0300   5.7680   0.7344 -0.8781000 1.265000 
1 1 1  -31   27   12 o   5.6760   0.6117   5.3650   0.9868   5.9860   0.7230 -0.6215000 1.223000 
1 1 1  -30    0    1 o   48.260   0.6927   48.260   0.6927   48.260   0.6927 -0.000000 0.000000 
1 1 1  -30    0    2 o   21.770   0.3541   21.770   0.3541   21.770   0.3541 -0.000000 0.000000 
1 1 1  -30    0    3 o   18.030   0.2210   18.030   0.2210   18.030   0.2210 -0.000000 0.000000 
1 1 1  -30    0    4 o   37.780   0.3852   37.780   0.3852   37.780   0.3852 -0.000000 0.000000 
1 1 1  -30    0    5 o   45.040   0.3716   45.040   0.3716   45.040   0.3716 -0.000000 0.000000 
1 1 1  -30    0    6 o   10.120   0.1938   10.120   0.1938   10.120   0.1938 -0.000000 0.000000 
1 1 1  -30    0    7 o   5.2830   0.2450   5.2830   0.2450   5.2830   0.2450 -0.000000 0.000000 
1 1 1  -30    0    8 o   23.380   0.2109   23.380   0.2109   23.380   0.2109 -0.000000 0.000000 
1 1 1  -30    0    9 o   36.060   0.3737   36.060   0.3737   36.060   0.3737 -0.000000 0.000000 
1 1 1  -30    0   10 o   25.990   0.2353   25.990   0.2353   25.990   0.2353 -0.000000 0.000000 
1 1 1  -30    0   11 o   36.140   0.3097   36.140   0.3097   36.140   0.3097 -0.000000 0.000000 
1 1 1  -30    0   12 o   54.900   0.3939   54.900   0.3939   54.900   0.3939 -0.000000 0.000000 
1 1 1  -30    0   13 o   8.3170   0.2630   8.3170   0.2630   8.3170   0.2630 -0.000000 0.000000 
1 1 1  -30    0   14 o   15.700   0.2868   15.700   0.2868   15.700   0.2868 -0.000000 0.000000 
1 1 1  -30    0   15 o   2.2100   0.9984   2.2100   0.9984   2.2100   0.9984 -0.000000 0.000000 
1 1 1  -30    0   16 o   60.320   0.4357   60.320   0.4357   60.320   0.4357 -0.000000 0.000000 
1 1 1  -30    0   17 o   35.170   0.2779   35.170   0.2779   35.170   0.2779 -0.000000 0.000000 
1 1 1  -30    0   18 o   22.590   0.2287   22.590   0.2287   22.590   0.2287 -0.000000 0.000000 
1 1 1  -30    0   19 o   36.720   0.2913   36.720   0.2913   36.720   0.2913 -0.000000 0.000000 
1 1 1  -30    0   20 o   23.400   0.2362   23.400   0.2362   23.400   0.2362 -0.000000 0.000000 
1 1 1  -30    0   21 o   10.620   0.3118   10.620   0.3118   10.620   0.3118 -0.000000 0.000000 
1 1 1  -30    0   22 o   6.3590   0.6918   6.3590   0.6918   6.3590   0.6918 -0.000000 0.000000 
1 1 1  -30    0   23 o   7.9910   0.5959   7.9910   0.5959   7.9910   0.5959 -0.000000 0.000000 
1 1 1  -30    0   24 o   17.400   0.3703   17.400   0.3703   17.400   0.3703 -0.000000 0.000000 
1 1 1  -30    0   25 o   9.0000   0.3783   9.0000   0.3783   9.0000   0.3783 -0.000000 0.000000 
1 1 1  -30    0   26 o   8.1370   0.4133   8.1370   0.4133   8.1370   0.4133 -0.000000 0.000000 
1 1 1  -30    0   27 o   14.140   0.4045   14.140   0.4045   14.140   0.4045 -0.000000 0.000000 
1 1 1  -30    0   28 o   12.180   0.3180   12.180   0.3180   12.180   0.3180 -0.000000 0.000000 
1 1 1  -30    0   29 o   1.7130   1.0430   1.7130   1.0430   1.7130   1.0430 -0.000000 0.000000 
1 1 1  -30    0   30 o   2.1600   1.1660   2.1600   1.1660   2.1600   1.1660 -0.000000 0.000000 
1 1 1  -30    0   31 o   1.3800   0.9393   1.3800   0.9393   1.3800   0.9393 -0.000000 0.000000 
1 1 1  -30    0   32 o   11.110   0.4236   11.110   0.4236   11.110   0.4236 -0.000000 0.000000 
1 1 1  -30    0   33 o   1.9140   1.1590   1.9140   1.1590   1.9140   1.1590 -0.000000 0.000000 
1 1 1  -30    2    1 o   20.090   0.1762   19.910   0.2483   20.260   0.2502 -0.3529000 0.3525000 
1 1 1  -30    2    2 f   35.680   0.2264   35.300   0.3671   36.060   0.2651 -0.7624000 0.4529000 
1 1 1  -30    2    3 o   53.090   0.3462   52.340   0.5314   53.840   0.4440 -1.499000 0.6925000 
1 1 1  -30    2    4 o   83.620   1.1930  ?   ?    83.620   1.1930      ?      ? 
1 1 1  -30    2    5 o   22.980   0.2703   24.140   0.3875   21.830   0.3769 2.304000 0.5405000 
1 1 1  -30    2    6 o   30.550   0.3290   30.690   0.4657   30.410   0.4647 0.2842000 0.6579000 
1 1 1  -30    2    7 o   61.720   0.4410   60.820   0.6133   62.630   0.6340 -1.807000 0.8821000 
1 1 1  -30    2    8 o   40.450   0.2238   40.470   0.2930   40.440   0.3384 0.3437000E-01 0.4476000 
1 1 1  -30    2    9 o   40.160   0.2233   40.060   0.2912   40.260   0.3387 -0.2059000 0.4467000 
1 1 1  -30    2   10 o   53.630   0.3139   53.790   0.4452   53.470   0.4426 0.3250000 0.6278000 
1 1 1  -30    2   11 o   37.510   0.2127   37.530   0.2783   37.500   0.3217 0.3127000E-01 0.4254000 
1 1 1  -30    2   12 o   33.670   0.1963   33.940   0.2583   33.410   0.2955 0.5287000 0.3925000 
1 1 1  -30    2   13 o   25.340   0.2138   25.940   0.3069   24.730   0.2978 1.207000 0.4276000 
1 1 1  -30    2   14 o   31.190   0.2280   31.150   0.2869   31.220   0.3546 -0.7071000E-01 0.4561000 
1 1 1  -30    2   15 o   23.420   0.1776   23.170   0.2517   23.660   0.2505 -0.4849000 0.3551000 
1 1 1  -30    2   16 o   24.300   0.1710   24.190   0.2252   24.410   0.2574 -0.2148000 0.3420000 
1 1 1  -30    2   17 o   46.220   0.2642   45.950   0.3441   46.500   0.4010 -0.5448000 0.5284000 
1 1 1  -30    2   18 o   53.330   0.2998   53.770   0.3960   52.900   0.4503 0.8653000 0.5996000 
1 1 1  -30    2   19 o   19.110   0.1750   19.160   0.2315   19.070   0.2626 0.8302000E-01 0.3501000 
1 1 1  -30    2   20 o   15.990   0.1825   16.120   0.2407   15.850   0.2742 0.2719000 0.3649000 
1 1 1  -30    2   21 o   7.7490   0.3207   7.8480   0.4487   7.6500   0.4584 0.1979000 0.6415000 
1 1 1  -30    2   22 o   6.5780   0.6263   6.9930   0.6028   6.1640   1.0980 0.8293000 1.253000 
1 1 1  -30    2   23 o   9.5010   0.3024   9.8570   0.3434   9.1450   0.4978 0.7118000 0.6047000 
1 1 1  -30    2   24 o   16.240   0.2128   16.100   0.3088   16.370   0.2930 -0.2684000 0.4257000 
1 1 1  -30    2   25 o   13.560   0.2652   13.870   0.4181   13.250   0.3264 0.6164000 0.5304000 
1 1 1  -30    2   26 o   7.2210   0.4556   7.0880   0.7035   7.3540   0.5792 -0.2656000 0.9112000 
1 1 1  -30    2   27 o   13.780   0.2630   13.670   0.3323   13.900   0.4078 -0.2288000 0.5261000 
1 1 1  -30    2   28 o   2.4470   0.6808   2.3460   0.9322   2.5470   0.9925 -0.2012000 1.362000 
1 1 1  -30    2   29 o   7.0010   0.3832   6.7070   0.5389   7.2950   0.5448 -0.5881000 0.7663000 
1 1 1  -30    2   30 o   9.2320   0.3110   9.3560   0.4100   9.1080   0.4677 0.2482000 0.6220000 
1 1 1  -30    2   31 o   8.9480   0.3222   9.1330   0.4287   8.7630   0.4812 0.3698000 0.6445000 
1 1 1  -30    2   32 o   10.690   0.2865   10.760   0.3853   10.610   0.4242 0.1539000 0.5730000 
1 1 1  -30    2   33 o   3.2890   0.7640   3.2260   1.0890   3.3520   1.0710 -0.1266000 1.528000 
1 1 1  -30    4    1 o   11.140   0.2128   11.080   0.2775   11.200   0.3228 -0.1254000 0.4257000 
1 1 1  -30    4    2 o   22.210   0.1542   21.980   0.2097   22.440   0.2262 -0.4595000 0.3084000 
1 1 1  -30    4    3 o   56.390   0.3074   55.940   0.4612   56.850   0.4065 -0.9022000 0.6148000 
1 1 1  -30    4    4 o   53.210   0.3318   53.450   0.5440   52.980   0.3801 0.4733000 0.6636000 
1 1 1  -30    4    5 o   26.840   0.1871   26.880   0.3115   26.800   0.2075 0.8119000E-01 0.3743000 
1 1 1  -30    4    6 o   32.700   0.2163   32.980   0.3587   32.420   0.2419 0.5576000 0.4326000 
1 1 1  -30    4    7 o   51.020   0.2592   50.910   0.3658   51.130   0.3674 -0.2231000 0.5185000 
1 1 1  -30    4    8 o   29.160   0.1722   29.080   0.2238   29.240   0.2619 -0.1601000 0.3445000 
1 1 1  -30    4    9 o   38.490   0.2329   38.350   0.3284   38.620   0.3304 -0.2661000 0.4658000 
1 1 1  -30    4   10 o   36.560   0.2096   36.480   0.2735   36.640   0.3176 -0.1596000 0.4191000 
1 1 1  -30    4   11 o   61.870   0.4035   62.200   0.5132   61.540   0.6229 0.6598000 0.8071000 
1 1 1  -30    4   12 o   45.870   0.2755   45.940   0.3881   45.800   0.3912 0.1418000 0.5510000 
1 1 1  -30    4   13 o   41.800   0.2386   41.680   0.3112   41.930   0.3617 -0.2490000 0.4771000 
1 1 1  -30    4   14 o   29.370   0.2236   29.470   0.2829   29.260   0.3465 0.2115000 0.4473000 
1 1 1  -30    4   15 o   30.940   0.1931   30.960   0.2540   30.920   0.2910 0.4000000E-01 0.3862000 
1 1 1  -30    4   16 o   19.120   0.1676   19.310   0.2224   18.930   0.2509 0.3755000 0.3353000 
1 1 1  -30    4   17 o   16.910   0.2005   17.360   0.2294   16.460   0.3289 0.8995000 0.4010000 
1 1 1  -30    4   18 o   25.260   0.1813   25.590   0.2405   24.940   0.2714 0.6511000 0.3626000 
1 1 1  -30    4   19 f   9.1850   0.2537   9.0860   0.3437   9.2840   0.3733 -0.1985000 0.5074000 
1 1 1  -30    4   20 o   10.710   0.2632   10.830   0.3080   10.600   0.4268 0.2324000 0.5263000 
1 1 1  -30    4   21 o   16.370   0.3059   16.280   0.2932   16.460   0.5369 -0.1741000 0.6118000 
1 1 1  -30    4   22 o   20.610   0.1963   20.280   0.2797   20.950   0.2756 -0.6748000 0.3926000 
1 1 1  -30    4   23 o   18.930   0.1886   18.960   0.2532   18.890   0.2795 0.6587000E-01 0.3771000 
1 1 1  -30    4   24 o   13.570   0.2114   13.720   0.2827   13.430   0.3145 0.2908000 0.4229000 
1 1 1  -30    4   25 f   7.7140   0.3626   8.1190   0.5062   7.3080   0.5193 0.8110000 0.7252000 
1 1 1  -30    4   26 o   13.320   0.2877   13.600   0.4286   13.040   0.3839 0.5536000 0.5754000 
1 1 1  -30    4   27 o   9.3370   0.4903   8.9160   0.8161   9.7570   0.5438 -0.8419000 0.9806000 
1 1 1  -30    4   28 o   10.130   0.2787   10.120   0.3726   10.150   0.4146 -0.3557000E-01 0.5574000 
1 1 1  -30    4   29 o   5.9530   0.4461   6.2460   0.5744   5.6600   0.6827 0.5863000 0.8922000 
1 1 1  -30    4   30 o   9.2200   0.3154   9.9810   0.3951   8.4590   0.4918 1.522000 0.6308000 
1 1 1  -30    4   31 o   2.4890   0.6482   3.3020   1.0190   1.6760   0.8021 1.626000 1.296000 
1 1 1  -30    4   32 o   4.6960   0.6143   4.3830   0.8914   5.0080   0.8455 -0.6257000 1.229000 
1 1 1  -30    4   33 o   2.9240   0.8128   2.6560   1.0820   3.1930   1.2130 -0.5376000 1.626000 
1 1 1  -30    6    1 o   34.910   0.2397   35.060   0.3081   34.750   0.3672 0.3070000 0.4793000 
1 1 1  -30    6    2 o   22.550   0.1746   22.500   0.2279   22.600   0.2645 -0.1001000 0.3491000 
1 1 1  -30    6    3 o   45.840   0.4067   46.160   0.4781   45.530   0.6580 0.6285000 0.8133000 
1 1 1  -30    6    4 o   42.880   0.3167   43.030   0.4501   42.740   0.4457 0.2884000 0.6334000 
1 1 1  -30    6    5 o   20.530   0.2484   20.720   0.4183   20.330   0.2679 0.3901000 0.4968000 
1 1 1  -30    6    6 o   29.170   0.4822   29.170   0.4822  ?   ?       ?      ? 
1 1 1  -30    6    7 o   40.150   0.3715   40.410   0.6133   39.890   0.4194 0.5116000 0.7430000 
1 1 1  -30    6    8 o   29.830   0.2986   29.680   0.4933   29.990   0.3365 -0.3082000 0.5971000 
1 1 1  -30    6    9 o   46.120   0.3099   45.870   0.3913   46.370   0.4806 -0.5007000 0.6198000 
1 1 1  -30    6   10 o   15.080   0.1715   15.320   0.2436   14.840   0.2415 0.4813000 0.3430000 
1 1 1  -30    6   11 o   26.280   0.2090   25.730   0.2626   26.830   0.3253 -1.097000 0.4180000 
1 1 1  -30    6   12 o   38.660   0.2425   38.490   0.3425   38.820   0.3434 -0.3297000 0.4850000 
1 1 1  -30    6   13 o   16.890   0.2113   16.940   0.2638   16.840   0.3300 0.9669000E-01 0.4225000 
1 1 1  -30    6   14 o   29.430   0.2311   29.580   0.2938   29.280   0.3568 0.2960000 0.4622000 
1 1 1  -30    6   15 o   31.100   0.1982   31.130   0.2599   31.060   0.2994 0.6845000E-01 0.3965000 
1 1 1  -30    6   16 f   53.680   0.3025   53.570   0.3951   53.800   0.4581 -0.2240000 0.6049000 
1 1 1  -30    6   17 o   41.760   0.2453   41.850   0.3215   41.670   0.3704 0.1826000 0.4905000 
1 1 1  -30    6   18 o   38.030   0.2626   38.110   0.3019   37.950   0.4297 0.1635000 0.5252000 
1 1 1  -30    6   19 o   29.230   0.2376   29.810   0.3010   28.660   0.3677 1.151000 0.4752000 
1 1 1  -30    6   20 o   8.2660   0.3574   8.4870   0.4344   8.0460   0.5676 0.4407000 0.7148000 
1 1 1  -30    6   21 o   24.240   0.1879   24.180   0.2482   24.300   0.2823 -0.1214000 0.3758000 
1 1 1  -30    6   22 o   13.660   0.2227   13.830   0.3197   13.480   0.3102 0.3415000 0.4454000 
1 1 1  -30    6   23 o   19.320   0.1904   19.390   0.2538   19.250   0.2838 0.1432000 0.3808000 
1 1 1  -30    6   24 o   2.7970   0.6492   2.1120   0.8808   3.4820   0.9539 -1.370000 1.298000 
1 1 1  -30    6   25 o   5.7490   0.5104   6.2120   0.6548   5.2850   0.7831 0.9268000 1.021000 
1 1 1  -30    6   26 o   10.610   0.2968   10.200   0.3700   11.030   0.4642 -0.8371000 0.5937000 
1 1 1  -30    6   27 o   3.4190   0.8770   4.3000   1.4020   2.5380   1.0540 1.762000 1.754000 
1 1 1  -30    6   28 f   9.3460   0.3779   9.1130   0.6242   9.5780   0.4262 -0.4654000 0.7558000 
1 1 1  -30    6   29 o   10.370   0.2839   10.280   0.3843   10.450   0.4179 -0.1764000 0.5677000 
1 1 1  -30    6   30 o   6.9680   0.4028   6.7130   0.5613   7.2230   0.5777 -0.5101000 0.8055000 
1 1 1  -30    6   31 o   2.3010   0.6532   1.6220   0.7800   2.9800   1.0480 -1.358000 1.306000 
1 1 1  -30    6   32 o   4.9070   0.7172   5.6660   0.8084   4.1490   1.1850 1.516000 1.434000 
1 1 1  -30    8    1 o   44.820   0.2555   45.100   0.3873   44.530   0.3334 0.5672000 0.5111000 
1 1 1  -30    8    2 o   10.160   0.1909   10.090   0.2845   10.220   0.2548 -0.1299000 0.3819000 
1 1 1  -30    8    3 o   33.340   0.2348   33.580   0.3027   33.110   0.3590 0.4713000 0.4695000 
1 1 1  -30    8    4 o   5.6100   0.3230   5.7360   0.4052   5.4840   0.5032 0.2521000 0.6461000 
1 1 1  -30    8    5 o   36.750   0.2419   36.360   0.2802   37.150   0.3944 -0.7951000 0.4838000 
1 1 1  -30    8    6 o   43.610   0.2492   43.500   0.3763   43.720   0.3268 -0.2186000 0.4984000 
1 1 1  -30    8    7 o   61.520   0.3395   61.510   0.5136   61.540   0.4440 -0.2954000E-01 0.6789000 
1 1 1  -30    8    8 f   19.810   0.1647   20.100   0.2511   19.510   0.2133 0.5914000 0.3295000 
1 1 1  -30    8    9 o   61.240   0.3384   60.930   0.5100   61.540   0.4451 -0.6024000 0.6769000 
1 1 1  -30    8   10 o   10.870   0.2244   11.060   0.3128   10.670   0.3217 0.3922000 0.4487000 
1 1 1  -30    8   11 o   46.580   0.2853   46.570   0.4036   46.590   0.4033 -0.2548000E-01 0.5705000 
1 1 1  -30    8   12 o   35.980   0.2886   36.040   0.4078   35.910   0.4084 0.1246000 0.5771000 
1 1 1  -30    8   13 o   9.8570   0.2640   9.9460   0.3693   9.7670   0.3774 0.1798000 0.5280000 
1 1 1  -30    8   14 o   41.390   0.2621   41.350   0.3708   41.430   0.3706 -0.7945000E-01 0.5243000 
1 1 1  -30    8   15 o   20.270   0.1937   20.510   0.2775   20.030   0.2703 0.4759000 0.3874000 
1 1 1  -30    8   16 o   19.580   0.2234   19.580   0.2874   19.580   0.3422 -0.4433000E-02 0.4468000 
1 1 1  -30    8   17 f   24.490   0.2283   24.390   0.2908   24.580   0.3520 -0.1850000 0.4566000 
1 1 1  -30    8   18 o   13.690   0.3595   13.370   0.4137   14.010   0.5881 -0.6429000 0.7190000 
1 1 1  -30    8   19 o   13.060   0.2136   13.080   0.2884   13.050   0.3153 0.2367000E-01 0.4273000 
1 1 1  -30    8   20 f   12.110   0.2254   12.000   0.3015   12.230   0.3352 -0.2294000 0.4508000 
1 1 1  -30    8   21 o   24.660   0.2067   24.700   0.2923   24.620   0.2923 0.7533000E-01 0.4134000 
1 1 1  -30    8   22 o   7.1870   0.3507   7.2440   0.4682   7.1310   0.5222 0.1135000 0.7013000 
1 1 1  -30    8   23 o   17.880   0.2322   17.690   0.3082   18.060   0.3473 -0.3672000 0.4643000 
1 1 1  -30    8   24 o   8.2220   0.3678   9.0860   0.4539   7.3580   0.5788 1.728000 0.7356000 
1 1 1  -30    8   25 o   2.5700   0.6681   2.9220   0.9548   2.2190   0.9348 0.7038000 1.336000 
1 1 1  -30    8   26 o   5.5570   0.5740   5.7340   0.7091   5.3810   0.9028 0.3524000 1.148000 
1 1 1  -30    8   27 f   11.460   0.2558   11.920   0.3390   10.990   0.3831 0.9215000 0.5115000 
1 1 1  -30    8   28 o   13.080   0.2631   12.760   0.4016   13.410   0.3400 -0.6525000 0.5262000 
1 1 1  -30    8   29 o   5.2430   0.6896   4.1900   1.2270   6.2960   0.6289 -2.105000 1.379000 
1 1 1  -30    8   30 o   4.0520   0.6667   4.4900   0.8593   3.6130   1.0200 0.8775000 1.333000 
1 1 1  -30    8   31 o   11.690   0.2719   11.650   0.3768   11.740   0.3920 -0.9355000E-01 0.5437000 
1 1 1  -30    8   32 o   9.1720   0.4177   9.8530   0.5008   8.4920   0.6688 1.361000 0.8355000 
1 1 1  -30   10    1 f   9.4070   0.3050   9.2700   0.4655   9.5440   0.3941 -0.2731000 0.6099000 
1 1 1  -30   10    2 o   36.670   0.2672   36.560   0.4116   36.780   0.3407 -0.2195000 0.5343000 
1 1 1  -30   10    3 o   14.990   0.2012   15.150   0.2864   14.820   0.2827 0.3325000 0.4024000 
1 1 1  -30   10    4 o   12.220   0.1945   12.240   0.2574   12.200   0.2916 0.4266000E-01 0.3889000 
1 1 1  -30   10    5 o   45.850   0.2956   45.820   0.3444   45.880   0.4805 -0.5412000E-01 0.5911000 
1 1 1  -30   10    6 o   12.990   0.2203   13.000   0.2976   12.990   0.3250 0.1162000E-01 0.4406000 
1 1 1  -30   10    7 o   28.500   0.2255   28.320   0.3479   28.670   0.2870 -0.3495000 0.4510000 
1 1 1  -30   10    8 o   23.620   0.1935   23.600   0.2712   23.640   0.2762 -0.3828000E-01 0.3871000 
1 1 1  -30   10    9 o   24.000   0.1977   23.960   0.2802   24.040   0.2789 -0.8183000E-01 0.3954000 
1 1 1  -30   10   10 o   43.060   0.2715   42.910   0.3829   43.210   0.3850 -0.3045000 0.5430000 
1 1 1  -30   10   11 o   4.1990   0.5857   3.8940   0.9304   4.5040   0.7116 -0.6106000 1.171000 
1 1 1  -30   10   12 o   37.620   0.2472   37.440   0.3488   37.790   0.3505 -0.3464000 0.4945000 
1 1 1  -30   10   13 o   28.980   0.2137   29.210   0.3049   28.750   0.2996 0.4599000 0.4275000 
1 1 1  -30   10   14 o   41.730   0.2678   41.920   0.3795   41.540   0.3778 0.3835000 0.5355000 
1 1 1  -30   10   15 o   26.140   0.3595   26.140   0.3595  ?   ?       ?      ? 
1 1 1  -30   10   16 o   32.940   0.3584   33.140   0.4018   32.740   0.5936 0.3950000 0.7168000 
1 1 1  -30   10   17 o   19.100   0.2059   19.010   0.2946   19.190   0.2878 -0.1798000 0.4118000 
1 1 1  -30   10   18 o   2.7500   0.7062   2.9280   1.0120   2.5710   0.9857 0.3563000 1.412000 
1 1 1  -30   10   19 o   8.3310   0.3309   8.1250   0.4822   8.5370   0.4533 -0.4116000 0.6618000 
1 1 1  -30   10   20 o   19.760   0.2305   19.520   0.3581   19.990   0.2902 -0.4698000 0.4610000 
1 1 1  -30   10   21 o   3.8740   0.7076   4.3800   1.0140   3.3680   0.9874 1.012000 1.415000 
1 1 1  -30   10   22 o   4.9550   0.7039   5.7170   0.9791   4.1940   1.0120 1.524000 1.408000 
1 1 1  -30   10   23 o   7.4850   0.3542   7.2570   0.4955   7.7130   0.5062 -0.4556000 0.7083000 
1 1 1  -30   10   24 o   5.8880   0.4422   5.5640   0.6305   6.2110   0.6202 -0.6470000 0.8845000 
1 1 1  -30   10   25 o   7.2350   0.4409   7.2750   0.5668   7.1950   0.6754 0.8015000E-01 0.8818000 
1 1 1  -30   10   26 o   16.050   0.2197   15.740   0.2948   16.360   0.3259 -0.6213000 0.4395000 
1 1 1  -30   10   27 o   3.1940   0.6864   2.4100   0.9601   3.9770   0.9814 -1.568000 1.373000 
1 1 1  -30   10   28 f   11.640   0.2635   12.180   0.3442   11.090   0.3990 1.089000 0.5270000 
1 1 1  -30   10   29 o   1.7820   0.5994   1.8890   0.8946   1.6750   0.7981 0.2141000 1.199000 
1 1 1  -30   10   30 o   5.4260   0.6623   6.1400   0.9484   4.7120   0.9246 1.428000 1.325000 
1 1 1  -30   10   31 o   2.6540   0.7510   3.1030   1.1130   2.2050   1.0080 0.8979000 1.502000 
1 1 1  -30   12    1 o   17.340   0.1904   17.370   0.2819   17.300   0.2560 0.6418000E-01 0.3808000 
1 1 1  -30   12    2 o   15.800   0.1831   15.880   0.2549   15.720   0.2629 0.1656000 0.3662000 
1 1 1  -30   12    3 o   28.690   0.1852   28.720   0.2609   28.670   0.2630 0.4656000E-01 0.3705000 
1 1 1  -30   12    4 o   26.350   0.1950   26.390   0.2959   26.300   0.2541 0.9457000E-01 0.3901000 
1 1 1  -30   12    5 o   20.300   0.1726   20.110   0.2419   20.490   0.2463 -0.3793000 0.3452000 
1 1 1  -30   12    6 o   28.040   0.2181   27.850   0.2573   28.220   0.3522 -0.3693000 0.4362000 
1 1 1  -30   12    7 o   35.440   0.2634   35.620   0.3399   35.270   0.4024 0.3546000 0.5267000 
1 1 1  -30   12    8 o   18.620   0.2880   18.620   0.2880  ?   ?       ?      ? 
1 1 1  -30   12    9 o   25.290   0.2238   25.720   0.3694   24.850   0.2528 0.8654000 0.4476000 
1 1 1  -30   12   10 o   50.670   0.2926   50.460   0.4415   50.890   0.3842 -0.4390000 0.5852000 
1 1 1  -30   12   11 o   13.240   0.2206   13.040   0.3347   13.450   0.2874 -0.4090000 0.4412000 
1 1 1  -30   12   12 o   24.070   0.2566   24.960   0.3580   23.180   0.3676 1.785000 0.5132000 
1 1 1  -30   12   13 o   20.230   0.3262   20.210   0.3603   20.240   0.5439 -0.2763000E-01 0.6525000 
1 1 1  -30   12   14 o   15.300   0.2545   15.030   0.3266   15.570   0.3904 -0.5414000 0.5090000 
1 1 1  -30   12   15 o   8.4350   0.3380   8.1070   0.5028   8.7640   0.4518 -0.6567000 0.6759000 
1 1 1  -30   12   16 o   10.660   0.2828   10.380   0.4135   10.950   0.3859 -0.5680000 0.5656000 
1 1 1  -30   12   17 o   26.080   0.2171   26.470   0.3087   25.680   0.3052 0.7977000 0.4341000 
1 1 1  -30   12   18 o   13.650   0.2454   13.760   0.3459   13.540   0.3482 0.2180000 0.4908000 
1 1 1  -30   12   19 o   4.9920   0.6106   5.6600   0.8237   4.3240   0.9015 1.336000 1.221000 
1 1 1  -30   12   20 o   6.6230   0.5504   6.1370   0.8866   7.1090   0.6525 -0.9720000 1.101000 
1 1 1  -30   12   21 o   11.270   0.2774   11.350   0.3991   11.190   0.3854 0.1693000 0.5548000 
1 1 1  -30   12   22 o   5.0620   0.5601   4.8790   0.8288   5.2440   0.7536 -0.3651000 1.120000 
1 1 1  -30   12   23 o   13.050   0.2538   13.260   0.3652   12.850   0.3525 0.4074000 0.5076000 
1 1 1  -30   12   24 o   3.7770   0.7394   4.4540   0.9532   3.1000   1.1300 1.354000 1.479000 
1 1 1  -30   12   25 o   6.8420   0.4492   6.2520   0.7070   7.4310   0.5543 -1.178000 0.8984000 
1 1 1  -30   12   26 o   11.950   0.2837   12.290   0.4089   11.600   0.3933 0.6838000 0.5673000 
1 1 1  -30   12   27 o   5.2830   0.5344   5.1800   0.7572   5.3860   0.7542 -0.2062000 1.069000 
1 1 1  -30   12   28 o   4.3390   0.6497   4.7320   0.8425   3.9460   0.9893 0.7853000 1.299000 
1 1 1  -30   12   29 o   4.3330   0.6979   5.8710   0.7870   2.7950   1.1530 3.076000 1.396000 
1 1 1  -30   12   30 o   3.8450   0.7864   3.5760   1.1760   4.1130   1.0450 -0.5378000 1.573000 
1 1 1  -30   14    1 o   9.4510   0.3097   9.5970   0.4349   9.3040   0.4410 0.2924000 0.6194000 
1 1 1  -30   14    2 o   40.310   0.2630   40.070   0.3686   40.560   0.3754 -0.4919000 0.5261000 
1 1 1  -30   14    3 o   4.0380   0.6692   4.5760   0.8429   3.4990   1.0400 1.077000 1.338000 
1 1 1  -30   14    4 o   7.8840   0.3507   8.0910   0.4678   7.6780   0.5227 0.4138000 0.7015000 
1 1 1  -30   14    5 o   27.160   0.2117   26.870   0.2927   27.450   0.3060 -0.5841000 0.4235000 
1 1 1  -30   14    6 o   16.880   0.2119   16.560   0.2933   17.200   0.3058 -0.6392000 0.4237000 
1 1 1  -30   14    7 o   28.640   0.2454   28.860   0.3787   28.410   0.3122 0.4464000 0.4908000 
1 1 1  -30   14    8 o   5.3940   0.5891   4.8480   0.8696   5.9410   0.7951 -1.093000 1.178000 
1 1 1  -30   14    9 o   20.860   0.2329   20.750   0.3013   20.960   0.3553 -0.2086000 0.4659000 
1 1 1  -30   14   10 o   12.270   0.3110   12.670   0.3696   11.860   0.5002 0.8110000 0.6220000 
1 1 1  -30   14   11 o   8.6100   0.3926   8.4240   0.4993   8.7960   0.6059 -0.3726000 0.7851000 
1 1 1  -30   14   12 o   21.100   0.2424   20.970   0.3050   21.220   0.3768 -0.2452000 0.4848000 
1 1 1  -30   14   13 o   17.200   0.2092   16.960   0.3179   17.440   0.2719 -0.4821000 0.4183000 
1 1 1  -30   14   14 o   26.520   0.2073   26.440   0.3136   26.600   0.2713 -0.1615000 0.4147000 
1 1 1  -30   14   15 f   18.530   0.2226   18.450   0.3156   18.620   0.3139 -0.1730000 0.4451000 
1 1 1  -30   14   16 o   9.8300   0.3145   9.9720   0.4391   9.6880   0.4504 0.2838000 0.6291000 
1 1 1  -30   14   17 o   7.7440   0.6381   6.6460   1.1500   8.8420   0.5539 -2.196000 1.276000 
1 1 1  -30   14   18 o   14.250   0.3762   14.490   0.6304   14.020   0.4106 0.4686000 0.7523000 
1 1 1  -30   14   19 o   24.150   0.2225   23.950   0.3155   24.340   0.3138 -0.3889000 0.4450000 
1 1 1  -30   14   20 o   17.120   0.2328   17.150   0.3298   17.080   0.3287 0.6441000E-01 0.4657000 
1 1 1  -30   14   21 o   2.3140   0.6706   2.8340   1.0460   1.7940   0.8396 1.039000 1.341000 
1 1 1  -30   14   22 o   9.1350   0.3359   8.8590   0.5006   9.4100   0.4481 -0.5516000 0.6718000 
1 1 1  -30   14   23 o   11.400   0.3251   11.060   0.4266   11.740   0.4907 -0.6806000 0.6502000 
1 1 1  -30   14   24 o   8.0390   0.3798   8.1860   0.5441   7.8910   0.5299 0.2950000 0.7595000 
1 1 1  -30   14   25 o   10.090   0.3183   9.7740   0.4739   10.400   0.4252 -0.6289000 0.6367000 
1 1 1  -30   14   26 o   5.7510   0.5374   6.0560   0.7199   5.4460   0.7980 0.6098000 1.075000 
1 1 1  -30   14   27 o   7.7140   0.4058   7.0020   0.6293   8.4250   0.5125 -1.423000 0.8116000 
1 1 1  -30   14   28 o   5.7570   0.6879   6.6400   0.8265   4.8740   1.1000 1.765000 1.376000 
1 1 1  -30   14   29 o   2.8810   0.6983   1.9140   0.9304   3.8470   1.0420 -1.934000 1.397000 
1 1 1  -30   16    1 o   14.060   0.2411   14.260   0.3637   13.860   0.3165 0.4007000 0.4822000 
1 1 1  -30   16    2 o   18.640   0.1959   18.590   0.2782   18.680   0.2759 -0.8988000E-01 0.3918000 
1 1 1  -30   16    3 o   9.7880   0.2808   9.1840   0.4124   10.390   0.3813 -1.208000 0.5616000 
1 1 1  -30   16    4 o   11.660   0.2407   11.850   0.3322   11.470   0.3483 0.3811000 0.4813000 
1 1 1  -30   16    5 o   10.960   0.2529   11.210   0.3415   10.720   0.3732 0.4843000 0.5059000 
1 1 1  -30   16    6 o   8.2670   0.3199   8.1140   0.4516   8.4200   0.4532 -0.3059000 0.6398000 
1 1 1  -30   16    7 o   9.2330   0.3158   9.6300   0.4663   8.8350   0.4261 0.7949000 0.6316000 
1 1 1  -30   16    8 o   16.050   0.2765   16.230   0.3333   15.870   0.4413 0.3589000 0.5531000 
1 1 1  -30   16    9 o   21.510   0.3159   21.510   0.3159  ?   ?       ?      ? 
1 1 1  -30   16   10 o   11.350   0.3217   11.600   0.4283   11.110   0.4802 0.4974000 0.6435000 
1 1 1  -30   16   11 o   15.490   0.2452   15.480   0.3540   15.500   0.3393 -0.1995000E-01 0.4904000 
1 1 1  -30   16   12 o   12.480   0.2546   12.800   0.3822   12.160   0.3364 0.6382000 0.5092000 
1 1 1  -30   16   13 f   2.2320   0.7044   2.3920   1.0630   2.0710   0.9241 0.3218000 1.409000 
1 1 1  -30   16   14 o   7.9340   0.5997   8.0790   0.9878   7.7890   0.6804 0.2899000 1.199000 
1 1 1  -30   16   15 o   7.3540   0.6461   7.6390   1.0270   7.0700   0.7846 0.5692000 1.292000 
1 1 1  -30   16   16 o   6.1820   0.5622   6.8250   0.7956   5.5390   0.7947 1.286000 1.124000 
1 1 1  -30   16   17 o   16.170   0.2363   16.390   0.3374   15.950   0.3308 0.4383000 0.4725000 
1 1 1  -30   16   18 o   16.830   0.2335   16.560   0.3353   17.100   0.3250 -0.5361000 0.4670000 
1 1 1  -30   16   19 o   6.0210   0.4972   6.2430   0.6815   5.7990   0.7242 0.4439000 0.9944000 
1 1 1  -30   16   20 o   13.340   0.2649   13.230   0.3741   13.450   0.3752 -0.2151000 0.5298000 
1 1 1  -30   16   21 o   12.270   0.3233   12.650   0.3899   11.880   0.5158 0.7658000 0.6466000 
1 1 1  -30   16   22 o   4.8070   0.6354   4.8580   0.8738   4.7560   0.9228 0.1019000 1.271000 
1 1 1  -30   16   23 o   9.4890   0.3459   10.250   0.4533   8.7310   0.5226 1.515000 0.6918000 
1 1 1  -30   16   24 o   3.3720   0.7586   3.6920   1.0610   3.0520   1.0850 0.6400000 1.517000 
1 1 1  -30   16   25 o   2.5730   0.7354   2.5860   1.0450   2.5600   1.0350 0.2590000E-01 1.471000 
1 1 1  -30   16   26 o   6.5780   0.6149   6.8740   0.7860   6.2820   0.9459 0.5925000 1.230000 
1 1 1  -30   16   27 o   2.9580   0.7735   3.1520   1.1180   2.7630   1.0700 0.3895000 1.547000 
1 1 1  -30   16   28 o   5.2720   0.6215   5.1730   0.9074   5.3720   0.8495 -0.1984000 1.243000 
1 1 1  -30   18    1 o   9.4770   0.4347   8.6890   0.6538   10.270   0.5732 -1.577000 0.8695000 
1 1 1  -30   18    2 o   9.6690   0.4282   9.3110   0.6206   10.030   0.5903 -0.7168000 0.8565000 
1 1 1  -30   18    3 o   6.0490   0.6460   6.2860   0.8479   5.8120   0.9749 0.4735000 1.292000 
1 1 1  -30   18    4 o   8.9830   0.4368   8.5360   0.6401   9.4300   0.5945 -0.8938000 0.8735000 
1 1 1  -30   18    5 o   11.070   0.4788   11.560   0.5028   10.580   0.8150 0.9708000 0.9576000 
1 1 1  -30   18    6 o   11.790   0.4488   11.090   0.5286   12.500   0.7255 -1.415000 0.8976000 
1 1 1  -30   18    7 o   3.5910   0.9184   3.4270   1.1790   3.7540   1.4090 -0.3269000 1.837000 
1 1 1  -30   18    8 o   13.230   0.4517   12.730   0.7793   13.740   0.4571 -1.003000 0.9035000 
1 1 1  -30   18    9 o   6.4610   0.8046   5.4570   1.4390   7.4650   0.7198 -2.008000 1.609000 
1 1 1  -30   18   10 o   7.2720   0.5679   7.3530   0.7815   7.1910   0.8241 0.1620000 1.136000 
1 1 1  -30   18   11 o   6.4600   0.5475   6.6840   0.7118   6.2350   0.8322 0.4489000 1.095000 
1 1 1  -30   18   12 o   10.970   0.3381   11.070   0.4304   10.860   0.5215 0.2082000 0.6762000 
1 1 1  -30   18   13 o   6.5100   0.4411   7.0290   0.6174   5.9910   0.6301 1.038000 0.8822000 
1 1 1  -30   18   14 o   9.5700   0.3095   9.3740   0.4714   9.7660   0.4011 -0.3922000 0.6189000 
1 1 1  -30   18   15 o   15.150   0.2340   14.980   0.3534   15.320   0.3068 -0.3382000 0.4680000 
1 1 1  -30   18   16 o   7.0090   0.4204   7.3350   0.6024   6.6820   0.5866 0.6535000 0.8408000 
1 1 1  -30   18   17 o   9.5260   0.3165   9.4890   0.4760   9.5640   0.4174 -0.7435000E-01 0.6330000 
1 1 1  -30   18   18 o   3.6910   0.7166   4.6350   0.9658   2.7470   1.0590 1.889000 1.433000 
1 1 1  -30   18   19 o   7.4680   0.4710   7.5610   0.5842   7.3740   0.7390 0.1874000 0.9420000 
1 1 1  -30   18   20 o   9.7620   0.3377   9.6560   0.4811   9.8690   0.4741 -0.2131000 0.6755000 
1 1 1  -30   18   21 o   4.2240   0.7023   3.6160   1.0770   4.8310   0.9022 -1.215000 1.405000 
1 1 1  -30   18   22 f   5.3130   0.6079   5.8330   0.7846   4.7940   0.9288 1.039000 1.216000 
1 1 1  -30   18   23 o   12.700   0.3758   12.780   0.5131   12.620   0.5492 0.1650000 0.7516000 
1 1 1  -30   18   24 o   3.0270   0.8532   3.1100   1.2050   2.9430   1.2080 0.1666000 1.706000 
1 1 1  -30   18   25 o   1.9100   0.6354   1.9290   0.9021   1.8910   0.8952 0.3799000E-01 1.271000 
1 1 1  -30   18   26 f   6.3710   0.5183   6.7180   0.7071   6.0230   0.7579 0.6955000 1.037000 
1 1 1  -30   20    1 o   6.6910   0.4285   6.9870   0.5697   6.3940   0.6402 0.5931000 0.8570000 
1 1 1  -30   20    2 o   2.2120   0.6759   2.4910   0.9963   1.9320   0.9135 0.5589000 1.352000 
1 1 1  -30   20    3 o   7.9930   0.4593   7.6350   0.5065   8.3520   0.7663 -0.7168000 0.9186000 
1 1 1  -30   20    4 f   7.8480   0.4640   7.6410   0.5162   8.0560   0.7711 -0.4147000 0.9279000 
1 1 1  -30   20    5 o   5.1240   0.5476   5.0330   0.7730   5.2140   0.7758 -0.1806000 1.095000 
1 1 1  -30   20    6 o   12.790   0.2477   13.030   0.3433   12.560   0.3571 0.4695000 0.4954000 
1 1 1  -30   20    7 o   6.4360   0.4382   7.2900   0.5269   5.5820   0.7003 1.708000 0.8764000 
1 1 1  -30   20    8 o   13.650   0.2553   13.250   0.3907   14.050   0.3289 -0.7981000 0.5107000 
1 1 1  -30   20    9 o   5.0130   0.5959   5.4500   0.8305   4.5750   0.8548 0.8748000 1.192000 
1 1 1  -30   20   10 o   7.7980   0.3939   7.6480   0.6109   7.9480   0.4974 -0.3003000 0.7878000 
1 1 1  -30   20   11 o   5.9060   0.5316   5.3170   0.8791   6.4960   0.5979 -1.179000 1.063000 
1 1 1  -30   20   12 o   2.8470   0.7802   3.0770   1.1090   2.6170   1.0980 0.4595000 1.560000 
1 1 1  -30   20   13 o   3.3010   0.7578   4.0880   1.0580   2.5130   1.0860 1.575000 1.516000 
1 1 1  -30   20   14 o   4.9620   0.6100   5.4670   0.8287   4.4570   0.8952 1.010000 1.220000 
1 1 1  -30   20   15 o   5.3570   0.5926   5.0610   0.8845   5.6540   0.7890 -0.5936000 1.185000 
1 1 1  -30   20   16 o   9.3790   0.3510   9.6660   0.4843   9.0920   0.5083 0.5734000 0.7021000 
1 1 1  -30   20   17 o   16.640   0.2336   16.560   0.3478   16.720   0.3120 -0.1544000 0.4672000 
1 1 1  -30   20   18 o   6.9080   0.4292   6.8120   0.6441   7.0050   0.5676 -0.1938000 0.8585000 
1 1 1  -30   20   19 o   2.1480   0.6690   2.0970   0.9465   2.1980   0.9457 -0.1014000 1.338000 
1 1 1  -30   20   20 o   8.0220   0.4201   8.9250   0.5322   7.1190   0.6502 1.806000 0.8402000 
1 1 1  -30   20   21 o   5.3390   0.7617   4.9780   1.0730   5.7000   1.0810 -0.7223000 1.523000 
1 1 1  -30   20   22 o   8.2440   0.4051   8.3850   0.5698   8.1020   0.5760 0.2831000 0.8102000 
1 1 1  -30   20   23 o   2.7390   0.7622   2.9230   1.1040   2.5540   1.0510 0.3695000 1.524000 
1 1 1  -30   20   24 o   1.8210   0.6070   1.5030   0.7468   2.1390   0.9571 -0.6353000 1.214000 
1 1 1  -30   22    1 o   4.3180   0.7365   5.8970   0.8579   2.7400   1.1970 3.157000 1.473000 
1 1 1  -30   22    2 o   1.9270   0.6409   1.6940   0.8238   2.1590   0.9820 -0.4650000 1.282000 
1 1 1  -30   22    3 o   5.1200   0.6646   4.1010   1.0790   6.1380   0.7761 -2.037000 1.329000 
1 1 1  -30   22    4 o   5.5080   0.6075   5.3040   0.8916   5.7120   0.8253 -0.4083000 1.215000 
1 1 1  -30   22    5 o   10.080   0.3498   9.5320   0.5121   10.630   0.4767 -1.101000 0.6996000 
1 1 1  -30   22    6 o   7.4550   0.4542   7.0700   0.6739   7.8390   0.6092 -0.7685000 0.9085000 
1 1 1  -30   22    7 o   3.2300   0.7559   2.5360   1.0560   3.9230   1.0820 -1.387000 1.512000 
1 1 1  -30   22    8 o   11.400   0.3166   11.330   0.4457   11.480   0.4496 -0.1437000 0.6331000 
1 1 1  -30   22    9 o   8.9650   0.3726   9.0300   0.5177   8.9000   0.5360 0.1300000 0.7452000 
1 1 1  -30   22   10 o   4.5350   0.7054   4.2750   1.0370   4.7950   0.9566 -0.5200000 1.411000 
1 1 1  -30   22   11 f   3.8230   0.7616   4.3580   1.0530   3.2890   1.1000 1.069000 1.523000 
1 1 1  -30   22   12 o   3.1510   0.7638   3.2630   1.1270   3.0380   1.0310 0.2252000 1.528000 
1 1 1  -30   22   13 o   2.7720   0.7433   1.8750   0.8814   3.6680   1.1970 -1.793000 1.487000 
1 1 1  -30   22   14 o   11.970   0.3391   11.870   0.4312   12.070   0.5235 -0.1943000 0.6782000 
1 1 1  -30   22   15 o   4.7930   0.6507   4.4150   1.0320   5.1720   0.7928 -0.7562000 1.301000 
1 1 1  -30   22   16 o   4.9460   0.6238   5.6050   0.8106   4.2860   0.9483 1.320000 1.248000 
1 1 1  -30   22   17 o   3.7700   0.7622   4.9910   1.0810   2.5480   1.0750 2.443000 1.524000 
1 1 1  -30   22   18 o   5.0740   0.7350   5.0860   1.0770   5.0620   1.0010 0.2462000E-01 1.470000 
1 1 1  -30   22   19 o   17.050   0.2436   17.140   0.3639   16.970   0.3240 0.1717000 0.4872000 
1 1 1  -30   22   20 o   4.6560   0.6691   3.8130   1.1000   5.4990   0.7624 -1.686000 1.338000 
1 1 1  -30   22   21 o   6.7270   0.4634   6.9080   0.6681   6.5470   0.6424 0.3611000 0.9268000 
1 1 1  -30   22   22 o   9.6710   0.3753   9.1280   0.5482   10.210   0.5125 -1.086000 0.7505000 
1 1 1  -30   24    1 o   2.3300   0.6901   2.0050   0.9109   2.6550   1.0370 -0.6500000 1.380000 
1 1 1  -30   24    2 o   2.4960   0.7095   2.5850   1.0120   2.4070   0.9952 0.1778000 1.419000 
1 1 1  -30   24    3 o   7.1530   0.4206   7.8690   0.5265   6.4370   0.6562 1.432000 0.8413000 
1 1 1  -30   24    4 o   2.9590   0.6948   2.1830   0.9458   3.7340   1.0180 -1.551000 1.390000 
1 1 1  -30   24    5 o   6.3950   0.4578   6.9400   0.5844   5.8500   0.7049 1.090000 0.9156000 
1 1 1  -30   24    6 o   2.4590   0.6706   3.1030   1.0380   1.8140   0.8489 1.289000 1.341000 
1 1 1  -30   24    7 o   7.8660   0.3709   7.9840   0.5127   7.7480   0.5361 0.2358000 0.7418000 
1 1 1  -30   24    8 o   9.4280   0.3520   10.250   0.5028   8.6030   0.4927 1.651000 0.7040000 
1 1 1  -30   24    9 o   9.9130   0.3343   9.7210   0.5099   10.100   0.4323 -0.3837000 0.6685000 
1 1 1  -30   24   10 o   7.1260   0.5243   6.7400   0.8314   7.5120   0.6389 -0.7715000 1.049000 
1 1 1  -30   24   11 o   9.0480   0.4289   8.7250   0.6685   9.3710   0.5376 -0.6457000 0.8579000 
1 1 1  -30   24   12 o   5.6050   0.6654   5.5550   1.0370   5.6540   0.8341 -0.9898000E-01 1.331000 
1 1 1  -30   24   13 o   7.2940   0.5111   7.6380   0.7597   6.9510   0.6839 0.6873000 1.022000 
1 1 1  -30   24   14 o   2.1740   0.6992   2.3150   1.0130   2.0330   0.9645 0.2817000 1.398000 
1 1 1  -30   24   15 o   6.1230   0.6159   5.8570   0.8292   6.3890   0.9108 -0.5318000 1.232000 
1 1 1  -30   24   16 o   3.6080   0.7369   4.4770   1.0300   2.7390   1.0540 1.738000 1.474000 
1 1 1  -30   24   17 o   1.5080   0.5262   1.3410   0.6771   1.6740   0.8057 -0.3324000 1.052000 
1 1 1  -30   24   18 o   4.8090   0.6638   3.3820   1.1380   6.2350   0.6831 -2.853000 1.328000 
1 1 1  -30   24   19 o   1.8420   0.6165   2.1220   0.9650   1.5630   0.7675 0.5591000 1.233000 
1 1 1  -30   26    1 o   7.0730   0.4517   6.6330   0.6888   7.5130   0.5847 -0.8798000 0.9035000 
1 1 1  -30   26    2 o   3.8560   0.6895   2.9120   1.0690   4.8000   0.8706 -1.887000 1.379000 
1 1 1  -30   26    3 o   4.1420   0.7041   4.7650   0.9254   3.5180   1.0610 1.247000 1.408000 
1 1 1  -30   26    4 o   2.5360   0.7080   2.9920   1.0700   2.0790   0.9278 0.9132000 1.416000 
1 1 1  -30   26    5 o   3.7080   0.7112   3.0080   1.0710   4.4090   0.9365 -1.401000 1.422000 
1 1 1  -30   26    6 o   5.0820   0.5921   5.2460   0.8208   4.9180   0.8535 0.3276000 1.184000 
1 1 1  -30   26    7 o   3.1290   0.7535   3.3610   1.0810   2.8970   1.0500 0.4634000 1.507000 
1 1 1  -30   26    8 o   3.6210   0.7809   3.6870   1.1670   3.5560   1.0380 0.1302000 1.562000 
1 1 1  -30   26    9 o   2.6700   0.7487   2.5470   1.0640   2.7940   1.0540 -0.2468000 1.497000 
1 1 1  -30   26   10 o   2.4840   0.7140   3.1270   1.1420   1.8410   0.8579 1.285000 1.428000 
1 1 1  -30   26   11 o   2.7960   0.7675   3.2060   1.1700   2.3870   0.9933 0.8186000 1.535000 
1 1 1  -30   26   12 o   2.0860   0.6656   2.6260   1.0940   1.5470   0.7581 1.078000 1.331000 
1 1 1  -30   26   13 o   2.9600   0.7560   3.6680   1.1590   2.2520   0.9711 1.416000 1.512000 
1 1 1  -30   26   14 o   6.2420   0.5151   6.8370   0.7126   5.6480   0.7440 1.190000 1.030000 
1 1 1  -30   26   15 o   3.0130   0.8263   3.1600   1.1450   2.8660   1.1920 0.2933000 1.653000 
1 1 1  -30   28    1 o   2.5390   0.7579   2.6710   1.1180   2.4070   1.0230 0.2640000 1.516000 
1 1 1  -30   28    2 o   2.1220   0.6668   1.8220   0.8631   2.4220   1.0170 -0.5998000 1.334000 
1 1 1  -30   28    3 o   2.1820   0.6810   2.0420   0.9339   2.3220   0.9913 -0.2795000 1.362000 
1 1 1  -30   28    4 o   5.3550   0.5910   4.9930   0.9187   5.7170   0.7438 -0.7242000 1.182000 
1 1 1  -30   28    5 o   5.3140   0.5983   4.8310   0.9489   5.7970   0.7290 -0.9664000 1.197000 
1 1 1  -30   28    6 o   2.3490   0.6985   2.7350   1.0700   1.9630   0.8986 0.7723000 1.397000 
1 1 1  -30   28    7 o   2.2590   0.7095   2.0050   0.9419   2.5130   1.0610 -0.5082000 1.419000 
1 1 1  -30   28    8 o   2.0810   0.6929   2.1310   1.0140   2.0310   0.9443 0.9984000E-01 1.386000 
1 1 1  -30   28    9 o   2.5750   0.7604   2.0000   0.9699   3.1510   1.1710 -1.151000 1.521000 
1 1 1  -29    1    1 o   28.510   0.2610   28.830   0.3109   28.190   0.4194 0.6387000 0.5221000 
1 1 1  -29    1    2 o   4.4950   0.3054   4.2780   0.5215   4.7120   0.3179 -0.4339000 0.6108000 
1 1 1  -29    1    3 o   28.370   0.2401   28.370   0.4140   28.370   0.2434 0.1738000E-02 0.4802000 
1 1 1  -29    1    4 o   28.310   0.2375   28.270   0.4250   28.350   0.2120 -0.8672000E-01 0.4749000 
1 1 1  -29    1    5 o   17.290   0.2142   17.290   0.2142  ?   ?       ?      ? 
1 1 1  -29    1    6 o   23.230   0.2072  ?   ?    23.230   0.2072      ?      ? 
1 1 1  -29    1    7 o   22.680   0.1607   22.320   0.1994   23.040   0.2521 -0.7209000 0.3214000 
1 1 1  -29    1    8 o   25.900   0.1798   26.290   0.2298   25.500   0.2765 0.7896000 0.3595000 
1 1 1  -29    1    9 o   28.290   0.1967   28.690   0.3074   27.890   0.2456 0.8045000 0.3935000 
1 1 1  -29    1   10 o   6.8030   0.1680   6.7770   0.2369   6.8290   0.2383 -0.5127000E-01 0.3360000 
1 1 1  -29    1   11 o   37.730   0.1971   37.900   0.2800   37.550   0.2776 0.3468000 0.3942000 
1 1 1  -29    1   12 o   40.580   0.2289   40.890   0.3481   40.260   0.2973 0.6308000 0.4578000 
1 1 1  -29    1   13 o   62.670   0.3660   62.500   0.5164   62.840   0.5189 -0.3441000 0.7321000 
1 1 1  -29    1   14 o   18.070   0.2035   18.300   0.2840   17.840   0.2914 0.4584000 0.4069000 
1 1 1  -29    1   15 o   66.040   0.3351   65.730   0.4718   66.350   0.4761 -0.6203000 0.6703000 
1 1 1  -29    1   16 o   34.560   0.1927   34.540   0.2722   34.590   0.2727 -0.5334000E-01 0.3853000 
1 1 1  -29    1   17 o   26.720   0.1938   27.030   0.2771   26.410   0.2709 0.6187000 0.3875000 
1 1 1  -29    1   18 f   43.180   0.2319   42.970   0.3267   43.380   0.3293 -0.4061000 0.4638000 
1 1 1  -29    1   19 o   24.920   0.1679   25.120   0.2382   24.720   0.2367 0.4029000 0.3358000 
1 1 1  -29    1   20 o   30.130   0.1838   30.270   0.2603   29.980   0.2596 0.2832000 0.3676000 
1 1 1  -29    1   21 o   23.500   0.1696   23.400   0.2397   23.610   0.2399 -0.2006000 0.3391000 
1 1 1  -29    1   22 o   29.000   0.2614   28.890   0.3675   29.100   0.3718 -0.2085000 0.5228000 
1 1 1  -29    1   23 o   10.730   0.2230   10.930   0.3075   10.540   0.3231 0.3874000 0.4460000 
1 1 1  -29    1   24 o   8.8680   0.2912   8.8350   0.3759   8.9010   0.4448 -0.6591000E-01 0.5824000 
1 1 1  -29    1   25 o   13.380   0.2536   13.330   0.2967   13.420   0.4114 -0.9298000E-01 0.5072000 
1 1 1  -29    1   26 o   10.410   0.3510   10.470   0.5157   10.340   0.4764 0.1313000 0.7021000 
1 1 1  -29    1   27 o   5.3560   0.6331   4.9040   0.9186   5.8070   0.8715 -0.9029000 1.266000 
1 1 1  -29    1   28 o   2.4210   0.6311   3.0880   0.9584   1.7530   0.8213 1.336000 1.262000 
1 1 1  -29    1   29 o   6.7010   0.4069   6.4730   0.5576   6.9290   0.5927 -0.4555000 0.8138000 
1 1 1  -29    1   30 f   6.0620   0.4579   5.6050   0.6620   6.5180   0.6329 -0.9126000 0.9158000 
1 1 1  -29    1   31 o   9.1200   0.3194   9.1800   0.4146   9.0600   0.4860 0.1198000 0.6388000 
1 1 1  -29    1   32 o   20.200   0.2159   20.180   0.2855   20.210   0.3239 -0.3647000E-01 0.4318000 
1 1 1  -29    1   33 o   6.2450   0.4717   6.2930   0.6351   6.1960   0.6975 0.9695000E-01 0.9433000 
1 1 1  -29    3    1 o   24.320   0.2353   24.250   0.2843   24.390   0.3750 -0.1448000 0.4706000 
1 1 1  -29    3    2 o   15.710   0.1492   15.470   0.2229   15.940   0.1983 -0.4650000 0.2983000 
1 1 1  -29    3    3 o   13.690   0.1581  ?   ?    13.690   0.1581      ?      ? 
1 1 1  -29    3    4 o   21.520   0.2326   21.070   0.3753   21.970   0.2748 -0.8928000 0.4651000 
1 1 1  -29    3    5 o   21.320   0.1870   21.210   0.2620   21.430   0.2668 -0.2241000 0.3739000 
1 1 1  -29    3    6 o   46.230   0.3354   46.200   0.4742   46.250   0.4744 -0.4673000E-01 0.6707000 
1 1 1  -29    3    7 o   14.890   0.1603   14.710   0.2051   15.060   0.2463 -0.3431000 0.3205000 
1 1 1  -29    3    8 o   30.700   0.1769   30.770   0.2315   30.640   0.2676 0.1359000 0.3539000 
1 1 1  -29    3    9 o   18.830   0.1564   19.190   0.2422   18.470   0.1979 0.7217000 0.3128000 
1 1 1  -29    3   10 o   28.020   0.1984   27.370   0.3006   28.680   0.2591 -1.309000 0.3969000 
1 1 1  -29    3   11 o   32.530   0.1906   32.400   0.2486   32.660   0.2891 -0.2585000 0.3813000 
1 1 1  -29    3   12 o   60.170   0.3929   60.600   0.5008   59.730   0.6054 0.8700000 0.7857000 
1 1 1  -29    3   13 o   50.860   0.2827   50.790   0.3693   50.920   0.4281 -0.1372000 0.5654000 
1 1 1  -29    3   14 o   52.510   0.3505   52.300   0.4406   52.730   0.5453 -0.4340000 0.7011000 
1 1 1  -29    3   15 o   28.340   0.1825   28.020   0.2381   28.670   0.2767 -0.6493000 0.3650000 
1 1 1  -29    3   16 o   16.770   0.1693   16.860   0.2236   16.680   0.2542 0.1800000 0.3385000 
1 1 1  -29    3   17 o   40.830   0.2384   40.870   0.3126   40.800   0.3599 0.6717000E-01 0.4767000 
1 1 1  -29    3   18 o   17.890   0.1730   17.970   0.2296   17.800   0.2588 0.1705000 0.3460000 
1 1 1  -29    3   19 o   14.420   0.1885   14.810   0.2490   14.020   0.2831 0.7896000 0.3770000 
1 1 1  -29    3   20 o   28.430   0.1939   28.300   0.2546   28.570   0.2925 -0.2726000 0.3878000 
1 1 1  -29    3   21 o   10.830   0.2843   10.940   0.3531   10.720   0.4457 0.2186000 0.5687000 
1 1 1  -29    3   22 o   6.6430   0.3784   7.1320   0.5184   6.1540   0.5513 0.9776000 0.7567000 
1 1 1  -29    3   23 o   19.680   0.2124   19.710   0.2497   19.640   0.3436 0.7362000E-01 0.4247000 
1 1 1  -29    3   24 o   3.0910   0.7319   2.9160   0.9436   3.2650   1.1190 -0.3486000 1.464000 
1 1 1  -29    3   25 o   3.9710   0.6109   4.7300   0.6974   3.2120   1.0030 1.517000 1.222000 
1 1 1  -29    3   26 f   3.7870   0.7139   4.1250   0.9467   3.4500   1.0690 0.6741000 1.428000 
1 1 1  -29    3   27 o   2.8950   0.8409   3.3540   1.3130   2.4370   1.0500 0.9163000 1.682000 
1 1 1  -29    3   28 o   9.4310   0.3585   9.4330   0.5644   9.4300   0.4422 0.2242000E-02 0.7170000 
1 1 1  -29    3   29 o   11.130   0.2670   10.810   0.3655   11.460   0.3894 -0.6539000 0.5341000 
1 1 1  -29    3   30 o   12.500   0.2506   12.340   0.3385   12.660   0.3696 -0.3198000 0.5012000 
1 1 1  -29    3   31 o   7.2170   0.3886   6.8430   0.5550   7.5910   0.5441 -0.7482000 0.7772000 
1 1 1  -29    3   32 o   4.4620   0.6424   4.0010   0.9557   4.9240   0.8587 -0.9231000 1.285000 
1 1 1  -29    3   33 o   10.660   0.3592   10.730   0.4559   10.590   0.5551 0.1452000 0.7183000 
1 1 1  -29    5    1 o   28.240   0.1716   27.980   0.2562   28.490   0.2282 -0.5089000 0.3431000 
1 1 1  -29    5    2 o   30.120   0.2428   31.280   0.3418   28.970   0.3451 2.308000 0.4857000 
1 1 1  -29    5    3 o   50.350   0.3290   50.410   0.4182   50.300   0.5079 0.1062000 0.6579000 
1 1 1  -29    5    4 o   11.620   0.1718   11.620   0.1718  ?   ?       ?      ? 
1 1 1  -29    5    5 o   35.530   0.2164   35.950   0.3115   35.100   0.3006 0.8434000 0.4329000 
1 1 1  -29    5    6 o   34.400   0.1979   34.170   0.2988   34.620   0.2597 -0.4501000 0.3959000 
1 1 1  -29    5    7 o   15.380   0.1734   14.820   0.2865   15.940   0.1953 -1.118000 0.3467000 
1 1 1  -29    5    8 o   9.3460   0.2167   9.3460   0.3519   9.3450   0.2530 0.1134000E-02 0.4334000 
1 1 1  -29    5    9 o   39.330   0.3616   39.560   0.5959   39.110   0.4099 0.4487000 0.7233000 
1 1 1  -29    5   10 o   26.710   0.3148   26.710   0.3148  ?   ?       ?      ? 
1 1 1  -29    5   11 o   58.690   0.3228   58.810   0.4230   58.580   0.4878 0.2304000 0.6457000 
1 1 1  -29    5   12 o   77.780   0.4238   77.340   0.5511   78.220   0.6441 -0.8734000 0.8477000 
1 1 1  -29    5   13 o   48.470   0.2726   48.480   0.3565   48.460   0.4125 0.1923000E-01 0.5452000 
1 1 1  -29    5   14 o   24.600   0.2101   24.440   0.2630   24.750   0.3277 -0.3107000 0.4201000 
1 1 1  -29    5   15 o   34.300   0.2249   34.360   0.3201   34.240   0.3158 0.1212000 0.4497000 
1 1 1  -29    5   16 o   59.260   0.3299   59.310   0.4321   59.220   0.4986 0.9682000E-01 0.6598000 
1 1 1  -29    5   17 o   36.370   0.2205   36.540   0.2901   36.200   0.3321 0.3378000 0.4410000 
1 1 1  -29    5   18 o   14.640   0.1859   14.930   0.2455   14.350   0.2793 0.5745000 0.3718000 
1 1 1  -29    5   19 o   18.810   0.1769   18.820   0.2332   18.800   0.2662 0.1209000E-01 0.3539000 
1 1 1  -29    5   20 f   7.3120   0.3803   7.1980   0.4911   7.4250   0.5807 -0.2277000 0.7605000 
1 1 1  -29    5   21 o   24.320   0.2141   24.230   0.2487   24.410   0.3486 -0.1782000 0.4282000 
1 1 1  -29    5   22 o   7.6070   0.3839   7.6900   0.4796   7.5230   0.5996 0.1674000 0.7678000 
1 1 1  -29    5   23 o   3.0630   0.6453   2.3570   0.9151   3.7700   0.9100 -1.413000 1.291000 
1 1 1  -29    5   24 o   14.100   0.2116   14.130   0.2818   14.080   0.3156 0.4300000E-01 0.4231000 
1 1 1  -29    5   25 o   15.590   0.2439   16.340   0.3219   14.850   0.3664 1.493000 0.4877000 
1 1 1  -29    5   26 o   6.6380   0.4907   7.3120   0.5524   5.9640   0.8111 1.348000 0.9814000 
1 1 1  -29    5   27 f   2.4310   0.6871   2.7790   1.0280   2.0820   0.9123 0.6969000 1.374000 
1 1 1  -29    5   28 o   10.590   0.3002   10.340   0.4510   10.830   0.3963 -0.4960000 0.6003000 
1 1 1  -29    5   29 o   10.160   0.3615   9.8690   0.5904   10.460   0.4172 -0.5877000 0.7230000 
1 1 1  -29    5   30 o   10.810   0.2991   10.850   0.4342   10.780   0.4115 0.6734000E-01 0.5982000 
1 1 1  -29    5   31 o   12.050   0.2655   12.000   0.3585   12.100   0.3918 -0.9559000E-01 0.5311000 
1 1 1  -29    5   32 o   7.3490   0.4141   7.2530   0.5670   7.4460   0.6037 -0.1930000 0.8282000 
1 1 1  -29    5   33 f   7.2860   0.6382   5.7360   1.0730   8.8370   0.6911 -3.101000 1.276000 
1 1 1  -29    7    1 o   40.880   0.2340   41.080   0.3537   40.680   0.3066 0.3997000 0.4681000 
1 1 1  -29    7    2 o   16.450   0.1463   16.370   0.2153   16.540   0.1983 -0.1678000 0.2927000 
1 1 1  -29    7    3 o   10.040   0.1690   10.020   0.2507   10.060   0.2268 -0.4295000E-01 0.3381000 
1 1 1  -29    7    4 o   33.610   0.2207   33.770   0.2621   33.460   0.3553 0.3111000 0.4415000 
1 1 1  -29    7    5 o   37.230   0.2548   37.190   0.3283   37.260   0.3897 -0.7857000E-01 0.5095000 
1 1 1  -29    7    6 o   34.570   0.2407   34.090   0.3060   35.050   0.3717 -0.9540000 0.4815000 
1 1 1  -29    7    7 o   14.220   0.1573   14.370   0.2374   14.060   0.2066 0.3032000 0.3147000 
1 1 1  -29    7    8 o   33.970   0.2037   33.700   0.3069   34.230   0.2679 -0.5219000 0.4074000 
1 1 1  -29    7    9 o   15.230   0.1763   15.050   0.2492   15.410   0.2495 -0.3562000 0.3526000 
1 1 1  -29    7   10 o   54.650   0.3256   54.510   0.4593   54.790   0.4616 -0.2793000 0.6511000 
1 1 1  -29    7   11 o   31.680   0.2110   31.670   0.2988   31.690   0.2981 -0.2123000E-01 0.4221000 
1 1 1  -29    7   12 o   19.580   0.1833   19.540   0.2570   19.630   0.2614 -0.8999000E-01 0.3666000 
1 1 1  -29    7   13 o   34.840   0.2570   35.070   0.3257   34.600   0.3976 0.4787000 0.5139000 
1 1 1  -29    7   14 o   17.690   0.1921   17.590   0.2780   17.790   0.2651 -0.2007000 0.3841000 
1 1 1  -29    7   15 o   25.490   0.1992   25.530   0.2865   25.460   0.2769 0.6951000E-01 0.3984000 
1 1 1  -29    7   16 o   15.160   0.2085   15.310   0.3041   15.000   0.2853 0.3057000 0.4170000 
1 1 1  -29    7   17 o   33.140   0.2106   33.060   0.2751   33.210   0.3189 -0.1498000 0.4212000 
1 1 1  -29    7   18 o   25.940   0.1892   25.720   0.2470   26.160   0.2866 -0.4381000 0.3784000 
1 1 1  -29    7   19 f   8.2870   0.4813   8.3850   0.4293   8.1900   0.8615 0.1951000 0.9626000 
1 1 1  -29    7   20 o   14.230   0.2319   14.550   0.2646   13.910   0.3808 0.6419000 0.4637000 
1 1 1  -29    7   21 o   11.620   0.2451   12.050   0.3375   11.200   0.3557 0.8503000 0.4903000 
1 1 1  -29    7   22 o   24.840   0.2065   24.730   0.2921   24.950   0.2919 -0.2245000 0.4130000 
1 1 1  -29    7   23 o   10.540   0.2564   10.550   0.3373   10.540   0.3863 0.6065000E-02 0.5129000 
1 1 1  -29    7   24 o   15.080   0.2451   14.920   0.3314   15.240   0.3611 -0.3189000 0.4901000 
1 1 1  -29    7   25 o   8.1560   0.3161   8.2660   0.4207   8.0470   0.4718 0.2189000 0.6321000 
1 1 1  -29    7   26 o   4.3880   0.6801   3.8940   0.9618   4.8820   0.9618 -0.9887000 1.360000 
1 1 1  -29    7   27 o   5.9990   0.4330   5.9880   0.5880   6.0100   0.6359 -0.2184000E-01 0.8661000 
1 1 1  -29    7   28 o   3.6210   0.6866   3.2090   0.9925   4.0330   0.9490 -0.8244000 1.373000 
1 1 1  -29    7   29 o   6.7970   0.4435   7.0830   0.6491   6.5110   0.6045 0.5723000 0.8870000 
1 1 1  -29    7   30 o   4.7950   0.7223   3.8040   1.2620   5.7860   0.7038 -1.982000 1.445000 
1 1 1  -29    7   31 o   11.470   0.2788   11.080   0.3877   11.860   0.4007 -0.7809000 0.5576000 
1 1 1  -29    7   32 o   4.1010   1.0740   4.1010   1.0740  ?   ?       ?      ? 
1 1 1  -29    9    1 o   32.310   0.2008   32.270   0.3018   32.350   0.2650 -0.7151000E-01 0.4017000 
1 1 1  -29    9    2 f   9.2610   0.2155   9.2940   0.3173   9.2280   0.2917 0.6616000E-01 0.4310000 
1 1 1  -29    9    3 o   5.0530   0.3537   5.3280   0.4742   4.7780   0.5248 0.5497000 0.7073000 
1 1 1  -29    9    4 o   22.030   0.2035   22.520   0.2620   21.540   0.3116 0.9881000 0.4071000 
1 1 1  -29    9    5 o   23.180   0.1853   23.140   0.2632   23.230   0.2610 -0.8999000E-01 0.3707000 
1 1 1  -29    9    6 o   39.910   0.3028   40.190   0.4344   39.640   0.4219 0.5493000 0.6056000 
1 1 1  -29    9    7 o   14.660   0.2056   14.830   0.2721   14.480   0.3083 0.3499000 0.4112000 
1 1 1  -29    9    8 o   20.230   0.2176   20.890   0.3158   19.580   0.2996 1.313000 0.4353000 
1 1 1  -29    9    9 o   23.640   0.1772   23.600   0.2690   23.680   0.2308 -0.7648000E-01 0.3544000 
1 1 1  -29    9   10 o   28.360   0.2047   28.270   0.2878   28.460   0.2911 -0.1953000 0.4094000 
1 1 1  -29    9   11 o   40.370   0.2888   40.030   0.3604   40.700   0.4514 -0.6700000 0.5776000 
1 1 1  -29    9   12 o   31.340   0.2184   31.310   0.3088   31.380   0.3088 -0.7063000E-01 0.4367000 
1 1 1  -29    9   13 o   45.270   0.2818   45.470   0.4006   45.060   0.3966 0.4089000 0.5637000 
1 1 1  -29    9   14 o   15.820   0.2102   15.820   0.2942   15.820   0.3004 0.1763000E-02 0.4204000 
1 1 1  -29    9   15 o   18.580   0.2013   18.820   0.2886   18.340   0.2808 0.4812000 0.4027000 
1 1 1  -29    9   16 o   14.740   0.2150   14.700   0.3078   14.770   0.3002 -0.6829000E-01 0.4300000 
1 1 1  -29    9   17 o   12.770   0.3011   12.700   0.4110   12.850   0.4401 -0.1436000 0.6022000 
1 1 1  -29    9   18 o   5.6660   0.5372   5.0630   0.7600   6.2680   0.7593 -1.205000 1.074000 
1 1 1  -29    9   19 o   10.320   0.3190   10.540   0.4117   10.110   0.4873 0.4312000 0.6379000 
1 1 1  -29    9   20 o   11.060   0.2686   10.810   0.4031   11.300   0.3552 -0.4880000 0.5373000 
1 1 1  -29    9   21 o   18.410   0.2074   18.280   0.2913   18.540   0.2952 -0.2571000 0.4147000 
1 1 1  -29    9   22 o   16.810   0.2021   16.850   0.2673   16.760   0.3032 0.9442000E-01 0.4042000 
1 1 1  -29    9   23 o   8.5320   0.3663   8.4670   0.4947   8.5970   0.5402 -0.1298000 0.7325000 
1 1 1  -29    9   24 o   14.670   0.2160   14.740   0.2886   14.610   0.3213 0.1298000 0.4319000 
1 1 1  -29    9   25 o   3.7490   0.7198   3.8630   0.9010   3.6360   1.1230 0.2267000 1.440000 
1 1 1  -29    9   26 o   11.700   0.3006   11.370   0.3985   12.030   0.4501 -0.6656000 0.6012000 
1 1 1  -29    9   27 o   15.450   0.2189   15.540   0.2969   15.360   0.3216 0.1756000 0.4377000 
1 1 1  -29    9   28 o   3.1040   0.6470   3.9820   0.8852   2.2270   0.9440 1.755000 1.294000 
1 1 1  -29    9   29 o   4.3520   0.6133   4.9370   0.7520   3.7670   0.9689 1.170000 1.227000 
1 1 1  -29    9   30 o   12.300   0.2875   12.320   0.4326   12.290   0.3786 0.2607000E-01 0.5749000 
1 1 1  -29    9   31 o   3.3020   0.8520   3.7790   1.2560   2.8260   1.1520 0.9530000 1.704000 
1 1 1  -29    9   32 o   4.1800   1.5760   4.1800   1.5760  ?   ?       ?      ? 
1 1 1  -29   11    1 o   19.000   0.1949   18.730   0.3094   19.270   0.2370 -0.5398000 0.3898000 
1 1 1  -29   11    2 o   24.540   0.1705   24.720   0.2407   24.370   0.2415 0.3452000 0.3410000 
1 1 1  -29   11    3 o   16.120   0.2043   16.520   0.2929   15.730   0.2850 0.7913000 0.4086000 
1 1 1  -29   11    4 o   29.970   0.2142   30.050   0.3028   29.890   0.3030 0.1612000 0.4284000 
1 1 1  -29   11    5 o   28.870   0.2111   29.090   0.2992   28.660   0.2979 0.4239000 0.4222000 
1 1 1  -29   11    6 o   39.130   0.2835   39.750   0.4428   38.520   0.3542 1.234000 0.5670000 
1 1 1  -29   11    7 o   5.1980   0.5130   5.8280   0.6163   4.5680   0.8203 1.260000 1.026000 
1 1 1  -29   11    8 o   40.390   0.2865   40.450   0.3674   40.330   0.4397 0.1239000 0.5730000 
1 1 1  -29   11    9 o   42.290   0.2986   41.910   0.3787   42.660   0.4617 -0.7478000 0.5971000 
1 1 1  -29   11   10 o   58.360   0.3513   58.480   0.4981   58.250   0.4955 0.2226000 0.7025000 
1 1 1  -29   11   11 o   31.240   0.2218   30.740   0.3119   31.740   0.3154 -0.9930000 0.4435000 
1 1 1  -29   11   12 o   25.150   0.2090   25.310   0.2937   24.990   0.2975 0.3165000 0.4181000 
1 1 1  -29   11   13 o   38.470   0.2538   38.380   0.3592   38.560   0.3587 -0.1787000 0.5076000 
1 1 1  -29   11   14 o   34.290   0.2897   34.400   0.4100   34.180   0.4093 0.2263000 0.5794000 
1 1 1  -29   11   15 o   14.220   0.2936   14.620   0.3984   13.820   0.4312 0.7980000 0.5871000 
1 1 1  -29   11   16 o   6.2600   0.5161   6.4830   0.6206   6.0370   0.8248 0.4460000 1.032000 
1 1 1  -29   11   17 o   31.610   0.2599   31.340   0.3274   31.880   0.4037 -0.5390000 0.5198000 
1 1 1  -29   11   18 o   10.230   0.2912   9.9750   0.4296   10.480   0.3933 -0.5085000 0.5825000 
1 1 1  -29   11   19 o   5.3140   0.5663   5.2830   0.8786   5.3450   0.7148 -0.6140000E-01 1.133000 
1 1 1  -29   11   20 o   15.370   0.2526   15.270   0.3885   15.470   0.3230 -0.1959000 0.5052000 
1 1 1  -29   11   21 o   6.3130   0.5450   6.3940   0.8200   6.2310   0.7181 0.1629000 1.090000 
1 1 1  -29   11   22 f   4.3520   0.6556   4.2600   0.9614   4.4440   0.8915 -0.1843000 1.311000 
1 1 1  -29   11   23 o   10.550   0.2935   10.340   0.4367   10.760   0.3922 -0.4266000 0.5870000 
1 1 1  -29   11   24 o   9.1880   0.3275   9.1370   0.4789   9.2380   0.4470 -0.1010000 0.6551000 
1 1 1  -29   11   25 o   6.2210   0.5359   5.9730   0.7386   6.4700   0.7767 -0.4964000 1.072000 
1 1 1  -29   11   26 f   8.2370   0.3456   8.7130   0.4449   7.7610   0.5290 0.9512000 0.6912000 
1 1 1  -29   11   27 o   7.2600   0.3830   7.6850   0.4914   6.8350   0.5877 0.8501000 0.7661000 
1 1 1  -29   11   28 o   7.1440   0.3914   7.0560   0.5431   7.2320   0.5636 -0.1756000 0.7827000 
1 1 1  -29   11   29 o   4.7320   0.6000   5.0430   0.7766   4.4220   0.9148 0.6205000 1.200000 
1 1 1  -29   11   30 o   3.1840   0.7845   3.6500   1.0810   2.7190   1.1370 0.9310000 1.569000 
1 1 1  -29   11   31 o   3.9220   0.7182   5.0530   0.9836   2.7920   1.0470 2.261000 1.436000 
1 1 1  -29   13    1 o   24.040   0.1928   23.910   0.2880   24.180   0.2565 -0.2716000 0.3857000 
1 1 1  -29   13    2 o   7.0280   0.3485   7.2490   0.4811   6.8060   0.5044 0.4425000 0.6971000 
1 1 1  -29   13    3 o   22.600   0.1774   22.580   0.2487   22.620   0.2531 -0.4384000E-01 0.3548000 
1 1 1  -29   13    4 o   40.260   0.2264   40.050   0.3180   40.460   0.3224 -0.4146000 0.4529000 
1 1 1  -29   13    5 o   22.830   0.1780   22.810   0.2501   22.850   0.2535 -0.4298000E-01 0.3560000 
1 1 1  -29   13    6 o   10.480   0.2431   10.170   0.3454   10.790   0.3422 -0.6242000 0.4862000 
1 1 1  -29   13    7 o   6.6070   0.5321   4.9840   0.9769   8.2300   0.4221 -3.245000 1.064000 
1 1 1  -29   13    8 f   10.180   0.2743   10.130   0.4107   10.230   0.3638 -0.9927000E-01 0.5487000 
1 1 1  -29   13    9 o   27.070   0.2569   27.170   0.3665   26.980   0.3602 0.1820000 0.5138000 
1 1 1  -29   13   10 o   44.690   0.3467   44.700   0.4920   44.680   0.4885 0.2700000E-01 0.6933000 
1 1 1  -29   13   11 o   30.340   0.2722   30.260   0.3867   30.420   0.3830 -0.1632000 0.5443000 
1 1 1  -29   13   12 o   9.3560   0.3008   9.6890   0.4447   9.0240   0.4053 0.6650000 0.6017000 
1 1 1  -29   13   13 o   13.550   0.2732   13.110   0.3504   13.990   0.4192 -0.8869000 0.5463000 
1 1 1  -29   13   14 o   21.610   0.2402   21.450   0.3035   21.770   0.3723 -0.3203000 0.4803000 
1 1 1  -29   13   15 o   21.530   0.2395   21.640   0.3054   21.430   0.3690 0.2046000 0.4790000 
1 1 1  -29   13   16 o   23.230   0.2147   23.470   0.3063   22.980   0.3010 0.4900000 0.4294000 
1 1 1  -29   13   17 o   20.080   0.2187   20.010   0.3103   20.140   0.3082 -0.1322000 0.4374000 
1 1 1  -29   13   18 o   5.7600   0.6366   4.1870   1.1370   7.3320   0.5727 -3.145000 1.273000 
1 1 1  -29   13   19 o   29.220   0.2809   29.040   0.4060   29.390   0.3882 -0.3537000 0.5617000 
1 1 1  -29   13   20 o   11.170   0.2842   11.110   0.4057   11.230   0.3981 -0.1231000 0.5684000 
1 1 1  -29   13   21 o   23.150   0.2191   23.350   0.3114   22.950   0.3082 0.4088000 0.4381000 
1 1 1  -29   13   22 o   16.360   0.2308   16.260   0.3328   16.470   0.3199 -0.2127000 0.4616000 
1 1 1  -29   13   23 o   3.6760   0.7657   3.5800   1.0440   3.7710   1.1200 -0.1906000 1.531000 
1 1 1  -29   13   24 o   12.720   0.3023   13.110   0.3812   12.340   0.4693 0.7729000 0.6047000 
1 1 1  -29   13   25 o   12.020   0.2781   12.120   0.4005   11.920   0.3858 0.1992000 0.5561000 
1 1 1  -29   13   26 o   12.830   0.2695   12.680   0.3915   12.970   0.3704 -0.2879000 0.5390000 
1 1 1  -29   13   27 o   8.1560   0.3759   7.8940   0.5573   8.4170   0.5047 -0.5224000 0.7519000 
1 1 1  -29   13   28 f   2.5290   0.7662   2.1600   1.0040   2.8980   1.1580 -0.7376000 1.532000 
1 1 1  -29   13   29 o   8.4150   0.4548   8.8900   0.5589   7.9390   0.7176 0.9508000 0.9096000 
1 1 1  -29   13   30 o   3.1100   0.7047   3.9960   1.0230   2.2240   0.9698 1.772000 1.409000 
1 1 1  -29   15    1 o   19.490   0.2269   19.790   0.3633   19.190   0.2718 0.5913000 0.4537000 
1 1 1  -29   15    2 o   8.9250   0.3076   9.2000   0.4236   8.6500   0.4461 0.5503000 0.6152000 
1 1 1  -29   15    3 o   8.1090   0.3204   7.9590   0.4518   8.2590   0.4544 -0.2995000 0.6407000 
1 1 1  -29   15    4 o   17.590   0.1921   17.480   0.2696   17.700   0.2738 -0.2170000 0.3842000 
1 1 1  -29   15    5 o   6.4370   0.3908   6.6160   0.5320   6.2590   0.5725 0.3574000 0.7815000 
1 1 1  -29   15    6 o   14.710   0.2072   14.410   0.2919   15.020   0.2942 -0.6137000 0.4145000 
1 1 1  -29   15    7 o   16.540   0.2152   16.350   0.3290   16.740   0.2776 -0.3924000 0.4304000 
1 1 1  -29   15    8 o   19.270   0.2064   19.310   0.3128   19.230   0.2695 0.7402000E-01 0.4129000 
1 1 1  -29   15    9 o   32.110   0.2214   32.170   0.3358   32.050   0.2887 0.1197000 0.4428000 
1 1 1  -29   15   10 o   3.7040   0.7213   3.6070   1.0830   3.8010   0.9530 -0.1942000 1.443000 
1 1 1  -29   15   11 o   9.4740   0.4724   9.4740   0.4724  ?   ?       ?      ? 
1 1 1  -29   15   12 o   2.6770   1.0480   2.6770   1.0480  ?   ?       ?      ? 
1 1 1  -29   15   13 f   5.6100   0.6147   5.8130   0.7268   5.4070   0.9916 0.4057000 1.229000 
1 1 1  -29   15   14 o   18.580   0.2107   18.650   0.3171   18.510   0.2776 0.1399000 0.4214000 
1 1 1  -29   15   15 o   13.180   0.4040   13.050   0.6716   13.310   0.4493 -0.2642000 0.8081000 
1 1 1  -29   15   16 o   13.100   0.3990   13.050   0.6667   13.150   0.4384 -0.1008000 0.7979000 
1 1 1  -29   15   17 o   2.7700   0.7436   2.7320   1.0520   2.8080   1.0510 -0.7622000E-01 1.487000 
1 1 1  -29   15   18 o   15.110   0.2424   15.030   0.3458   15.180   0.3398 -0.1490000 0.4848000 
1 1 1  -29   15   19 o   13.850   0.2541   13.530   0.3630   14.170   0.3557 -0.6412000 0.5082000 
1 1 1  -29   15   20 o   7.3150   0.4092   7.5100   0.5590   7.1210   0.5977 0.3885000 0.8183000 
1 1 1  -29   15   21 f   12.020   0.2810   11.960   0.4010   12.090   0.3938 -0.1317000 0.5621000 
1 1 1  -29   15   22 f   2.7600   0.7548   3.1440   1.0780   2.3770   1.0570 0.7670000 1.510000 
1 1 1  -29   15   23 o   12.110   0.2800   12.300   0.3916   11.920   0.4003 0.3869000 0.5600000 
1 1 1  -29   15   24 o   21.810   0.2299   21.800   0.3277   21.830   0.3226 -0.3561000E-01 0.4598000 
1 1 1  -29   15   25 o   2.6180   0.7320   2.9210   1.0800   2.3150   0.9886 0.6061000 1.464000 
1 1 1  -29   15   26 o   11.580   0.2987   11.800   0.4216   11.350   0.4231 0.4521000 0.5973000 
1 1 1  -29   15   27 o   2.9800   1.1740   2.9800   1.1740  ?   ?       ?      ? 
1 1 1  -29   15   28 o   2.2800   0.6985   2.3960   1.0210   2.1630   0.9538 0.2337000 1.397000 
1 1 1  -29   15   29 f   8.2090   0.6306   8.5960   0.7340   7.8220   1.0260 0.7742000 1.261000 
1 1 1  -29   17    1 o   12.180   0.2474   12.240   0.3450   12.120   0.3547 0.1215000 0.4948000 
1 1 1  -29   17    2 o   4.6360   0.5847   4.8860   0.7623   4.3850   0.8869 0.5019000 1.169000 
1 1 1  -29   17    3 o   7.5780   0.3553   7.1150   0.5182   8.0400   0.4863 -0.9254000 0.7107000 
1 1 1  -29   17    4 f   11.150   0.2555   11.030   0.3547   11.270   0.3677 -0.2386000 0.5109000 
1 1 1  -29   17    5 o   5.0280   0.5299   5.0180   0.7442   5.0380   0.7546 -0.2012000E-01 1.060000 
1 1 1  -29   17    6 o   9.3930   0.2928   9.5710   0.4029   9.2150   0.4250 0.3564000 0.5856000 
1 1 1  -29   17    7 o   13.050   0.2496   12.850   0.3840   13.250   0.3190 -0.3953000 0.4992000 
1 1 1  -29   17    8 o   20.260   0.2116   20.390   0.3196   20.120   0.2774 0.2686000 0.4232000 
1 1 1  -29   17    9 o   9.2650   0.4070   9.6690   0.4719   8.8610   0.6632 0.8079000 0.8139000 
1 1 1  -29   17   10 o   12.830   0.4268   14.030   0.4848   11.620   0.7024 2.411000 0.8535000 
1 1 1  -29   17   11 o   6.0930   0.8694   7.0660   1.3930   5.1200   1.0400 1.946000 1.739000 
1 1 1  -29   17   12 o   12.790   0.4912   12.490   0.7324   13.100   0.6546 -0.6175000 0.9823000 
1 1 1  -29   17   13 o   21.090   0.3851  ?   ?    21.090   0.3851      ?      ? 
1 1 1  -29   17   14 o   5.4370   0.5631   5.7840   0.7392   5.0890   0.8497 0.6951000 1.126000 
1 1 1  -29   17   15 o   20.240   0.2139   20.310   0.3184   20.180   0.2857 0.1301000 0.4277000 
1 1 1  -29   17   16 o   10.070   0.3014   9.6500   0.4603   10.500   0.3892 -0.8461000 0.6028000 
1 1 1  -29   17   17 o   11.100   0.2941   11.080   0.4181   11.130   0.4137 -0.4932000E-01 0.5882000 
1 1 1  -29   17   18 o   6.0290   0.5311   7.0160   0.6304   5.0420   0.8549 1.974000 1.062000 
1 1 1  -29   17   19 o   11.100   0.3021   11.020   0.4352   11.180   0.4192 -0.1595000 0.6043000 
1 1 1  -29   17   20 o   8.1710   0.4277   7.5390   0.6008   8.8040   0.6088 -1.265000 0.8554000 
1 1 1  -29   17   21 o   8.5480   0.3729   8.6360   0.5131   8.4590   0.5412 0.1777000 0.7458000 
1 1 1  -29   17   22 o   3.6980   0.7553   4.1880   1.0330   3.2070   1.1020 0.9807000 1.511000 
1 1 1  -29   17   23 o   14.120   0.2709   14.290   0.3819   13.960   0.3844 0.3239000 0.5419000 
1 1 1  -29   17   24 o   3.8890   0.7297   2.9820   1.1070   4.7960   0.9513 -1.814000 1.459000 
1 1 1  -29   17   25 o   3.7590   0.8372   4.5840   1.1650   2.9350   1.2030 1.649000 1.674000 
1 1 1  -29   17   26 o   6.2780   0.5261   6.6780   0.7070   5.8780   0.7794 0.7995000 1.052000 
1 1 1  -29   17   27 o   3.7930   0.7423   3.1400   1.1180   4.4460   0.9765 -1.306000 1.485000 
1 1 1  -29   19    1 o   3.2710   0.7344   2.9830   1.0440   3.5590   1.0330 -0.5767000 1.469000 
1 1 1  -29   19    2 o   4.4370   0.6182   4.9610   0.7699   3.9140   0.9674 1.046000 1.236000 
1 1 1  -29   19    3 o   3.6530   0.6430   2.5950   0.9903   4.7100   0.8206 -2.115000 1.286000 
1 1 1  -29   19    4 o   10.360   0.2806   10.220   0.4006   10.510   0.3929 -0.2832000 0.5611000 
1 1 1  -29   19    5 o   3.4750   0.6805   2.7390   1.0100   4.2110   0.9123 -1.472000 1.361000 
1 1 1  -29   19    6 o   12.670   0.3185   12.880   0.3441   12.450   0.5360 0.4248000 0.6370000 
1 1 1  -29   19    7 o   14.410   0.2933   14.910   0.3073   13.910   0.4997 0.9994000 0.5866000 
1 1 1  -29   19    8 o   8.0300   0.4785   8.2800   0.5685   7.7810   0.7699 0.4996000 0.9570000 
1 1 1  -29   19    9 o   12.460   0.2696   12.350   0.4097   12.570   0.3507 -0.2229000 0.5393000 
1 1 1  -29   19   10 o   8.2460   0.3601   8.7710   0.5262   7.7210   0.4917 1.051000 0.7202000 
1 1 1  -29   19   11 o   11.790   0.2785   11.860   0.4274   11.720   0.3573 0.1460000 0.5571000 
1 1 1  -29   19   12 o   14.080   0.2472   14.550   0.3684   13.610   0.3297 0.9375000 0.4944000 
1 1 1  -29   19   13 o   13.940   0.2726   14.180   0.3699   13.690   0.4005 0.4945000 0.5452000 
1 1 1  -29   19   14 o   5.9330   0.6118   6.6160   0.6848   5.2490   1.0140 1.367000 1.224000 
1 1 1  -29   19   15 o   9.5000   0.3816   9.6470   0.4785   9.3520   0.5946 0.2954000 0.7632000 
1 1 1  -29   19   16 o   4.2330   0.6846   4.0590   1.0430   4.4070   0.8865 -0.3482000 1.369000 
1 1 1  -29   19   17 o   5.0250   0.6376   6.7040   0.6594   3.3460   1.0920 3.359000 1.275000 
1 1 1  -29   19   18 o   4.5480   0.6706   4.7390   0.9248   4.3570   0.9715 0.3822000 1.341000 
1 1 1  -29   19   19 o   5.3120   0.6060   5.9390   0.7308   4.6860   0.9669 1.254000 1.212000 
1 1 1  -29   19   20 o   5.2350   0.6195   4.5190   0.9856   5.9510   0.7507 -1.431000 1.239000 
1 1 1  -29   19   21 o   12.340   0.2927   12.010   0.4206   12.670   0.4071 -0.6540000 0.5853000 
1 1 1  -29   19   22 o   9.4340   0.4585   9.0010   0.6504   9.8670   0.6463 -0.8666000 0.9169000 
1 1 1  -29   19   23 o   10.310   0.4299   9.9540   0.6007   10.660   0.6151 -0.7103000 0.8597000 
1 1 1  -29   19   24 o   7.0130   0.4822   6.5480   0.7213   7.4770   0.6402 -0.9291000 0.9644000 
1 1 1  -29   19   25 o   2.1890   0.6745   1.6210   0.7940   2.7580   1.0900 -1.137000 1.349000 
1 1 1  -29   21    1 o   3.5550   0.7038   2.8910   1.0430   4.2190   0.9447 -1.328000 1.408000 
1 1 1  -29   21    2 o   10.120   0.2945   10.290   0.4006   9.9510   0.4318 0.3424000 0.5890000 
1 1 1  -29   21    3 o   10.910   0.3016   10.820   0.3916   11.000   0.4588 -0.1798000 0.6032000 
1 1 1  -29   21    4 o   2.3630   0.7356   2.1710   0.9337   2.5550   1.1370 -0.3838000 1.471000 
1 1 1  -29   21    5 o   17.180   0.2779   17.070   0.3040   17.300   0.4652 -0.2259000 0.5558000 
1 1 1  -29   21    6 o   14.940   0.2272   15.090   0.3168   14.790   0.3258 0.3063000 0.4544000 
1 1 1  -29   21    7 o   4.4700   0.6137   3.7770   0.9691   5.1640   0.7534 -1.387000 1.227000 
1 1 1  -29   21    8 o   9.0980   0.3398   9.0050   0.5182   9.1910   0.4396 -0.1865000 0.6796000 
1 1 1  -29   21    9 o   3.5700   0.7323   4.2620   1.0390   2.8780   1.0320 1.384000 1.465000 
1 1 1  -29   21   10 o   10.300   0.3141   10.140   0.4821   10.460   0.4028 -0.3219000 0.6283000 
1 1 1  -29   21   11 o   8.3860   0.3765   8.1050   0.5904   8.6670   0.4676 -0.5614000 0.7531000 
1 1 1  -29   21   12 o   3.1320   0.7062   4.2350   1.0660   2.0300   0.9262 2.205000 1.412000 
1 1 1  -29   21   13 o   4.7680   0.6678   4.8940   0.9250   4.6420   0.9636 0.2515000 1.336000 
1 1 1  -29   21   14 o   8.8640   0.4356   9.5050   0.4914   8.2230   0.7194 1.282000 0.8713000 
1 1 1  -29   21   15 o   8.2610   0.4506   8.3040   0.5509   8.2190   0.7133 0.8474000E-01 0.9013000 
1 1 1  -29   21   16 o   5.8410   0.6411   6.4470   0.6919   5.2360   1.0790 1.210000 1.282000 
1 1 1  -29   21   17 f   2.2840   0.6486   1.5780   0.7752   2.9900   1.0400 -1.413000 1.297000 
1 1 1  -29   21   18 o   10.820   0.3071   10.910   0.4520   10.730   0.4157 0.1787000 0.6141000 
1 1 1  -29   21   19 o   4.5930   0.7891   4.4400   1.1770   4.7470   1.0520 -0.3068000 1.578000 
1 1 1  -29   21   20 o   12.530   0.3339   12.690   0.4992   12.380   0.4434 0.3072000 0.6677000 
1 1 1  -29   21   21 o   2.0040   0.6551   2.0930   0.9521   1.9160   0.9001 0.1773000 1.310000 
1 1 1  -29   21   22 o   3.6360   0.6173   1.8540   0.8799   5.4170   0.8661 -3.563000 1.235000 
1 1 1  -29   21   23 o   2.2790   0.7049   2.0620   0.9445   2.4950   1.0470 -0.4329000 1.410000 
1 1 1  -29   23    1 o   3.8540   0.8371   3.0330   1.0600   4.6740   1.2960 -1.641000 1.674000 
1 1 1  -29   23    2 o   2.4350   0.7268   2.6960   1.0270   2.1740   1.0290 0.5223000 1.454000 
1 1 1  -29   23    3 o   5.5630   0.5141   5.3020   0.7429   5.8250   0.7107 -0.5232000 1.028000 
1 1 1  -29   23    4 o   3.9530   0.6376   2.6480   1.0130   5.2580   0.7752 -2.610000 1.275000 
1 1 1  -29   23    5 o   2.7740   0.6872   3.4260   1.0100   2.1220   0.9323 1.304000 1.374000 
1 1 1  -29   23    6 o   5.8750   0.4860   6.4600   0.6042   5.2910   0.7613 1.169000 0.9719000 
1 1 1  -29   23    7 o   7.8380   0.3657   7.9420   0.5091   7.7340   0.5251 0.2079000 0.7314000 
1 1 1  -29   23    8 o   5.8510   0.5261   5.9820   0.7837   5.7200   0.7021 0.2621000 1.052000 
1 1 1  -29   23    9 o   2.6740   0.7378   2.6640   1.0630   2.6840   1.0230 -0.2011000E-01 1.476000 
1 1 1  -29   23   10 o   7.3740   0.4234   7.5510   0.6201   7.1970   0.5766 0.3539000 0.8468000 
1 1 1  -29   23   11 f   5.8110   0.5343   6.2920   0.7518   5.3300   0.7594 0.9621000 1.069000 
1 1 1  -29   23   12 o   2.3710   0.7078   2.6970   1.0860   2.0440   0.9083 0.6528000 1.416000 
1 1 1  -29   23   13 o   7.3940   0.4109   7.7140   0.5990   7.0740   0.5626 0.6399000 0.8217000 
1 1 1  -29   23   14 o   3.3600   0.8250   3.1610   1.2000   3.5600   1.1330 -0.3989000 1.650000 
1 1 1  -29   23   15 o   6.6630   0.5615   6.4780   0.8670   6.8470   0.7138 -0.3692000 1.123000 
1 1 1  -29   23   16 o   9.5540   0.4426   9.0810   0.6454   10.030   0.6059 -0.9470000 0.8853000 
1 1 1  -29   23   17 o   2.7030   0.7882   2.6780   1.0810   2.7270   1.1470 -0.4978000E-01 1.576000 
1 1 1  -29   23   18 o   5.6970   0.5627   5.5350   0.8550   5.8600   0.7317 -0.3247000 1.125000 
1 1 1  -29   23   19 o   7.0330   0.4615   6.6960   0.7004   7.3690   0.6011 -0.6732000 0.9230000 
1 1 1  -29   23   20 o   2.8650   0.7557   2.4770   1.0460   3.2520   1.0910 -0.7745000 1.511000 
1 1 1  -29   23   21 o   4.6570   0.6937   4.3030   1.0800   5.0110   0.8712 -0.7081000 1.387000 
1 1 1  -29   25    1 o   2.6230   0.7662   2.6420   1.0780   2.6030   1.0890 0.3898000E-01 1.532000 
1 1 1  -29   25    2 o   2.3540   0.7214   2.4610   1.0370   2.2460   1.0040 0.2150000 1.443000 
1 1 1  -29   25    3 o   2.3170   0.6937   2.8530   1.0900   1.7820   0.8581 1.072000 1.387000 
1 1 1  -29   25    4 o   10.160   0.3453   10.380   0.4750   9.9410   0.5013 0.4443000 0.6906000 
1 1 1  -29   25    5 o   4.1960   0.7211   5.1690   0.9003   3.2220   1.1270 1.948000 1.442000 
1 1 1  -29   25    6 o   4.5290   0.7176   4.2440   1.0430   4.8140   0.9855 -0.5701000 1.435000 
1 1 1  -29   25    7 o   2.2030   0.6872   1.8050   0.8623   2.6010   1.0700 -0.7960000 1.374000 
1 1 1  -29   25    8 o   3.7530   0.8205   4.6810   1.2150   2.8250   1.1030 1.857000 1.641000 
1 1 1  -29   25    9 o   3.9210   0.7867   3.8380   1.1220   4.0040   1.1030 -0.1664000 1.573000 
1 1 1  -29   25   10 o   5.5530   0.6016   4.7560   1.0070   6.3490   0.6580 -1.593000 1.203000 
1 1 1  -29   25   11 o   7.5560   0.4349   7.4930   0.6778   7.6190   0.5451 -0.1259000 0.8698000 
1 1 1  -29   25   12 o   3.2580   0.7856   3.4130   1.1650   3.1030   1.0540 0.3101000 1.571000 
1 1 1  -29   25   13 o   6.9660   0.4740   6.3980   0.7739   7.5330   0.5477 -1.135000 0.9481000 
1 1 1  -29   25   14 o   8.5560   0.3878   8.6750   0.5806   8.4370   0.5143 0.2385000 0.7756000 
1 1 1  -29   25   15 o   4.1230   0.7413   3.8420   1.1390   4.4030   0.9489 -0.5614000 1.483000 
1 1 1  -29   25   16 o   5.2700   0.6289   6.0300   0.8150   4.5090   0.9581 1.522000 1.258000 
1 1 1  -29   25   17 o   2.7170   0.7974   2.6040   1.0690   2.8300   1.1840 -0.2259000 1.595000 
1 1 1  -29   25   18 o   2.3820   0.7941   2.4510   1.1190   2.3130   1.1270 0.1381000 1.588000 
1 1 1  -29   27    1 o   5.4070   0.6308   3.7670   1.0920   7.0470   0.6325 -3.280000 1.262000 
1 1 1  -29   27    2 o   2.8500   0.7483   3.2680   1.0970   2.4310   1.0180 0.8371000 1.497000 
1 1 1  -29   27    3 o   3.7710   0.7425   3.4170   1.0940   4.1260   1.0040 -0.7090000 1.485000 
1 1 1  -29   27    4 o   2.3330   0.7030   2.2510   0.9815   2.4150   1.0070 -0.1641000 1.406000 
1 1 1  -29   27    5 o   4.1310   0.7132   4.3550   1.0050   3.9070   1.0120 0.4483000 1.426000 
1 1 1  -29   27    6 o   4.1220   0.7159   4.4690   0.9847   3.7740   1.0400 0.6948000 1.432000 
1 1 1  -29   27    7 f   4.5260   0.6708   4.3630   0.9967   4.6890   0.8981 -0.3258000 1.342000 
1 1 1  -29   27    8 o   2.4900   0.7024   1.9170   0.9121   3.0630   1.0690 -1.146000 1.405000 
1 1 1  -29   27    9 o   2.5030   0.7417   2.4540   1.0670   2.5520   1.0310 -0.9807000E-01 1.483000 
1 1 1  -29   27   10 o   2.9230   0.7441   3.7210   1.1520   2.1250   0.9419 1.596000 1.488000 
1 1 1  -29   27   11 o   2.0180   0.6581   2.0030   0.9426   2.0330   0.9188 -0.3015000E-01 1.316000 
1 1 1  -29   27   12 o   2.5620   0.7494   2.6760   1.1080   2.4480   1.0090 0.2288000 1.499000 
1 1 1  -29   27   13 o   2.2270   0.7234   2.2310   1.0520   2.2240   0.9929 0.7497000E-02 1.447000 
1 1 1  -28    0    2 o   23.660   0.3745   23.660   0.3745   23.660   0.3745 -0.000000 0.000000 
1 1 1  -28    0    3 o   25.520   0.2232   25.520   0.2232   25.520   0.2232 -0.000000 0.000000 
1 1 1  -28    0    4 o   41.000   0.3395   41.000   0.3395   41.000   0.3395 -0.000000 0.000000 
1 1 1  -28    0    6 o   62.440   0.4423   62.440   0.4423   62.440   0.4423 -0.000000 0.000000 
1 1 1  -28    0    7 o   30.840   0.2257   30.840   0.2257   30.840   0.2257 -0.000000 0.000000 
1 1 1  -28    0    8 o   24.290   0.2662   24.290   0.2662   24.290   0.2662 -0.000000 0.000000 
1 1 1  -28    0    9 o   16.490   0.2235   16.490   0.2235   16.490   0.2235 -0.000000 0.000000 
1 1 1  -28    0   10 o   28.210   0.2511   28.210   0.2511   28.210   0.2511 -0.000000 0.000000 
1 1 1  -28    0   11 f   8.7070   0.2188   8.7070   0.2188   8.7070   0.2188 -0.000000 0.000000 
1 1 1  -28    0   12 o   96.430   0.6804   96.430   0.6804   96.430   0.6804 -0.000000 0.000000 
1 1 1  -28    0   13 o  103.100   0.7279  103.100   0.7279  103.100   0.7279 -0.000000 0.000000 
1 1 1  -28    0   14 o   21.740   0.2907   21.740   0.2907   21.740   0.2907 -0.000000 0.000000 
1 1 1  -28    0   15 o   26.730   0.2657   26.730   0.2657   26.730   0.2657 -0.000000 0.000000 
1 1 1  -28    0   16 f   2.0650   1.0150   2.0650   1.0150   2.0650   1.0150 -0.000000 0.000000 
1 1 1  -28    0   17 o   1.2400   0.8202   1.2400   0.8202   1.2400   0.8202 -0.000000 0.000000 
1 1 1  -28    0   18 o   28.350   0.2473   28.350   0.2473   28.350   0.2473 -0.000000 0.000000 
1 1 1  -28    0   19 o   21.820   0.2331   21.820   0.2331   21.820   0.2331 -0.000000 0.000000 
1 1 1  -28    0   20 o   20.390   0.2341   20.390   0.2341   20.390   0.2341 -0.000000 0.000000 
1 1 1  -28    0   21 o   10.010   0.3244   10.010   0.3244   10.010   0.3244 -0.000000 0.000000 
1 1 1  -28    0   22 o   29.750   0.3752   29.750   0.3752   29.750   0.3752 -0.000000 0.000000 
1 1 1  -28    0   23 o   27.680   0.2600   27.680   0.2600   27.680   0.2600 -0.000000 0.000000 
1 1 1  -28    0   24 o   20.340   0.2478   20.340   0.2478   20.340   0.2478 -0.000000 0.000000 
1 1 1  -28    0   25 o   1.5040   0.9521   1.5040   0.9521   1.5040   0.9521 -0.000000 0.000000 
1 1 1  -28    0   26 o   2.6100   1.3490   2.6100   1.3490   2.6100   1.3490 -0.000000 0.000000 
1 1 1  -28    0   27 o   3.8070   1.3690   3.8070   1.3690   3.8070   1.3690 -0.000000 0.000000 
1 1 1  -28    0   28 o   2.4190   1.2290   2.4190   1.2290   2.4190   1.2290 -0.000000 0.000000 
1 1 1  -28    0   29 o   9.6090   0.3885   9.6090   0.3885   9.6090   0.3885 -0.000000 0.000000 
1 1 1  -28    0   30 o   9.2300   0.4185   9.2300   0.4185   9.2300   0.4185 -0.000000 0.000000 
1 1 1  -28    0   31 o   3.1210   1.2730   3.1210   1.2730   3.1210   1.2730 -0.000000 0.000000 
1 1 1  -28    0   32 o   8.4050   0.5116   8.4050   0.5116   8.4050   0.5116 -0.000000 0.000000 
1 1 1  -28    0   33 o   8.0470   0.5660   8.0470   0.5660   8.0470   0.5660 -0.000000 0.000000 
1 1 1  -28    2    1 o   17.930   0.1507   17.880   0.2357   17.980   0.1877 -0.9965000E-01 0.3013000 
1 1 1  -28    2    2 o   20.600   0.2270  ?   ?    20.600   0.2270      ?      ? 
1 1 1  -28    2    3 o   20.090   0.2160  ?   ?    20.090   0.2160      ?      ? 
1 1 1  -28    2    5 o   29.500   0.3197   30.540   0.4603   28.460   0.4437 2.082000 0.6393000 
1 1 1  -28    2    6 o   20.400   0.2516   20.780   0.3513   20.030   0.3603 0.7449000 0.5032000 
1 1 1  -28    2    7 o   29.820   0.1823   30.220   0.2603   29.430   0.2553 0.7880000 0.3646000 
1 1 1  -28    2    8 o   16.160   0.1172   16.360   0.1546   15.960   0.1763 0.3963000 0.2345000 
1 1 1  -28    2    9 o   13.970   0.1450   14.250   0.1852   13.700   0.2233 0.5560000 0.2901000 
1 1 1  -28    2   10 o   48.410   0.2664   48.590   0.3499   48.230   0.4017 0.3642000 0.5328000 
1 1 1  -28    2   11 o   26.580   0.2141   25.690   0.2922   27.480   0.3131 -1.799000 0.4283000 
1 1 1  -28    2   12 o   6.5000   0.2413   6.6540   0.3110   6.3460   0.3692 0.3082000 0.4827000 
1 1 1  -28    2   13 o   28.680   0.2111   28.740   0.2683   28.620   0.3261 0.1171000 0.4223000 
1 1 1  -28    2   14 o   45.370   0.3063   45.560   0.3887   45.170   0.4734 0.3822000 0.6125000 
1 1 1  -28    2   15 o   38.580   0.2246   38.850   0.2959   38.320   0.3380 0.5308000 0.4492000 
1 1 1  -28    2   16 o   25.810   0.1756   25.830   0.2312   25.790   0.2643 0.3485000E-01 0.3512000 
1 1 1  -28    2   17 f   19.250   0.1676   19.360   0.2225   19.140   0.2507 0.2160000 0.3352000 
1 1 1  -28    2   18 o   36.240   0.2191   36.440   0.2889   36.040   0.3295 0.4027000 0.4382000 
1 1 1  -28    2   19 o   30.920   0.1995   30.990   0.2624   30.860   0.3006 0.1310000 0.3990000 
1 1 1  -28    2   20 o   11.570   0.2191   11.710   0.2906   11.440   0.3281 0.2714000 0.4383000 
1 1 1  -28    2   21 o   18.080   0.2200   18.310   0.2768   17.850   0.3420 0.4575000 0.4400000 
1 1 1  -28    2   22 o   13.590   0.2218   13.530   0.3173   13.650   0.3099 -0.1123000 0.4435000 
1 1 1  -28    2   23 o   15.600   0.1971   15.830   0.2596   15.380   0.2966 0.4504000 0.3941000 
1 1 1  -28    2   24 o   10.940   0.2451   10.690   0.3285   11.180   0.3639 -0.4869000 0.4902000 
1 1 1  -28    2   25 o   12.620   0.2590   12.680   0.2956   12.570   0.4254 0.1007000 0.5180000 
1 1 1  -28    2   26 o   8.8440   0.4773   9.4150   0.5497   8.2730   0.7805 1.142000 0.9546000 
1 1 1  -28    2   27 o   6.3380   0.4141   6.7580   0.5165   5.9180   0.6474 0.8404000 0.8282000 
1 1 1  -28    2   28 o   4.3670   0.6809   3.1560   1.1690   5.5790   0.6977 -2.423000 1.362000 
1 1 1  -28    2   29 o   3.8330   0.7667   3.6460   1.1920   4.0210   0.9643 -0.3753000 1.533000 
1 1 1  -28    2   30 f   9.3070   0.3139   9.7180   0.4063   8.8950   0.4787 0.8224000 0.6279000 
1 1 1  -28    2   31 o   6.4280   0.4328   6.7880   0.5497   6.0670   0.6686 0.7216000 0.8655000 
1 1 1  -28    2   32 o   5.6980   0.4980   5.6500   0.6819   5.7460   0.7259 -0.9609000E-01 0.9960000 
1 1 1  -28    2   33 o   11.990   0.3364   11.900   0.4326   12.090   0.5153 -0.1918000 0.6728000 
1 1 1  -28    4    1 o   49.610   0.3277   49.500   0.5065   49.720   0.4161 -0.2229000 0.6555000 
1 1 1  -28    4    2 o   45.690   0.2518   45.360   0.3778   46.020   0.3331 -0.6588000 0.5037000 
1 1 1  -28    4    3 o   38.960   0.2172   38.850   0.3268   39.070   0.2862 -0.2236000 0.4344000 
1 1 1  -28    4    4 o   46.720   0.3376   45.900   0.4749   47.550   0.4801 -1.648000 0.6753000 
1 1 1  -28    4    5 o   26.150   0.3041   26.150   0.3041  ?   ?       ?      ? 
1 1 1  -28    4    6 o   44.420   0.2916   44.560   0.3737   44.290   0.4478 0.2688000 0.5832000 
1 1 1  -28    4    7 o   68.910   0.4002   69.030   0.5674   68.780   0.5644 0.2474000 0.8003000 
1 1 1  -28    4    8 o   41.710   0.2328   41.670   0.3040   41.750   0.3527 -0.8292000E-01 0.4656000 
1 1 1  -28    4    9 o   31.640   0.1978   31.640   0.2796   31.630   0.2799 0.9171000E-02 0.3956000 
1 1 1  -28    4   10 o   62.050   0.3386   62.270   0.4449   61.830   0.5106 0.4391000 0.6772000 
1 1 1  -28    4   11 o   73.500   0.4773   73.340   0.6020   73.660   0.7409 -0.3197000 0.9547000 
1 1 1  -28    4   12 o   80.040   0.4342   80.510   0.5719   79.570   0.6535 0.9431000 0.8684000 
1 1 1  -28    4   13 o   10.090   0.1916   9.8770   0.2513   10.310   0.2894 -0.4354000 0.3832000 
1 1 1  -28    4   14 o   35.740   0.2556   35.570   0.3215   35.910   0.3974 -0.3327000 0.5112000 
1 1 1  -28    4   15 o   32.490   0.1997   32.720   0.2636   32.270   0.3000 0.4517000 0.3993000 
1 1 1  -28    4   16 o   51.890   0.2919   52.020   0.3829   51.760   0.4407 0.2526000 0.5838000 
1 1 1  -28    4   17 o   46.130   0.2649   45.910   0.3451   46.360   0.4020 -0.4405000 0.5298000 
1 1 1  -28    4   18 o   27.860   0.2027   28.500   0.2911   27.230   0.2821 1.263000 0.4054000 
1 1 1  -28    4   19 o   6.7480   0.3347   6.3680   0.4732   7.1280   0.4734 -0.7597000 0.6694000 
1 1 1  -28    4   20 o   4.0420   0.6580   4.4730   0.7951   3.6110   1.0490 0.8624000 1.316000 
1 1 1  -28    4   21 o   15.000   0.2370   14.610   0.3092   15.390   0.3592 -0.7756000 0.4739000 
1 1 1  -28    4   22 o   9.9610   0.2715   9.7990   0.4001   10.120   0.3671 -0.3249000 0.5431000 
1 1 1  -28    4   23 o   9.5290   0.2683   9.9760   0.3478   9.0810   0.4086 0.8948000 0.5366000 
1 1 1  -28    4   24 o   16.140   0.2441   16.440   0.3107   15.850   0.3765 0.5815000 0.4881000 
1 1 1  -28    4   25 o   9.0090   0.4295   9.0730   0.4688   8.9450   0.7199 0.1282000 0.8590000 
1 1 1  -28    4   26 o   4.4020   0.7086   4.3600   0.9162   4.4430   1.0810 -0.8306000E-01 1.417000 
1 1 1  -28    4   27 o   18.270   0.2039   18.350   0.2710   18.190   0.3046 0.1559000 0.4077000 
1 1 1  -28    4   28 o   12.410   0.2464   12.470   0.3282   12.360   0.3677 0.1112000 0.4929000 
1 1 1  -28    4   29 o   7.0040   0.4322   6.4650   0.6801   7.5430   0.5335 -1.078000 0.8644000 
1 1 1  -28    4   30 o   4.0570   0.7712   4.9020   1.1200   3.2130   1.0610 1.690000 1.542000 
1 1 1  -28    4   31 o   14.660   0.2366   14.450   0.3216   14.860   0.3471 -0.4121000 0.4732000 
1 1 1  -28    4   32 o   2.8030   0.7302   2.4830   0.9991   3.1230   1.0650 -0.6398000 1.460000 
1 1 1  -28    4   33 o   4.7400   0.7526   4.7980   0.9725   4.6810   1.1490 0.1165000 1.505000 
1 1 1  -28    6    1 f   14.270   0.1491   14.310   0.2106   14.230   0.2110 0.7433000E-01 0.2981000 
1 1 1  -28    6    2 o   40.730   0.2453   40.670   0.3465   40.790   0.3474 -0.1111000 0.4907000 
1 1 1  -28    6    3 o   4.9940   0.3751   5.1230   0.5065   4.8660   0.5534 0.2564000 0.7503000 
1 1 1  -28    6    4 o   24.170   0.2054   24.370   0.2928   23.970   0.2882 0.3903000 0.4108000 
1 1 1  -28    6    5 o   48.790   0.4391   49.020   0.7226   48.570   0.4992 0.4495000 0.8782000 
1 1 1  -28    6    6 o   24.630   0.2947   24.100   0.4303   25.170   0.4028 -1.069000 0.5894000 
1 1 1  -28    6    7 o   41.950   0.4405   41.830   0.6305   42.060   0.6152 -0.2291000 0.8809000 
1 1 1  -28    6    8 o   26.800   0.2182   26.050   0.3082   27.540   0.3089 -1.491000 0.4363000 
1 1 1  -28    6    9 o   54.740   0.3619   54.410   0.4558   55.070   0.5623 -0.6588000 0.7238000 
1 1 1  -28    6   10 o   3.7060   0.5218   3.5040   0.7823   3.9080   0.6909 -0.4034000 1.044000 
1 1 1  -28    6   11 o   78.430   0.4567   78.300   0.6450   78.560   0.6467 -0.2562000 0.9133000 
1 1 1  -28    6   12 o   26.500   0.1902   26.600   0.2712   26.400   0.2669 0.2014000 0.3805000 
1 1 1  -28    6   13 o   18.090   0.2051   18.370   0.2604   17.810   0.3170 0.5615000 0.4102000 
1 1 1  -28    6   14 o   39.700   0.2501   39.710   0.3553   39.680   0.3521 0.2461000E-01 0.5002000 
1 1 1  -28    6   15 o   22.150   0.2091   21.500   0.3250   22.800   0.2633 -1.291000 0.4183000 
1 1 1  -28    6   16 o   19.880   0.1762   19.860   0.2308   19.900   0.2664 -0.4639000E-01 0.3525000 
1 1 1  -28    6   17 o   45.810   0.2651   46.190   0.3497   45.420   0.3984 0.7774000 0.5302000 
1 1 1  -28    6   18 o   20.660   0.1800   20.750   0.2380   20.570   0.2701 0.1819000 0.3600000 
1 1 1  -28    6   19 o   28.050   0.2320   28.120   0.2920   27.970   0.3606 0.1585000 0.4640000 
1 1 1  -28    6   20 o   6.0910   0.4699   6.5790   0.4727   5.6030   0.8124 0.9767000 0.9399000 
1 1 1  -28    6   21 o   12.760   0.2136   12.930   0.2860   12.580   0.3173 0.3470000 0.4272000 
1 1 1  -28    6   22 o   5.3240   0.5488   5.0590   0.7170   5.5890   0.8311 -0.5296000 1.098000 
1 1 1  -28    6   23 o   19.900   0.2193   19.590   0.2546   20.210   0.3572 -0.6153000 0.4387000 
1 1 1  -28    6   24 o   12.930   0.2644   12.850   0.3619   13.010   0.3857 -0.1606000 0.5289000 
1 1 1  -28    6   25 o   19.600   0.2168   19.610   0.2624   19.600   0.3452 0.1399000E-01 0.4336000 
1 1 1  -28    6   26 o   11.370   0.2956   11.110   0.3844   11.620   0.4491 -0.5113000 0.5912000 
1 1 1  -28    6   27 f   5.8570   0.4354   5.8880   0.5950   5.8260   0.6359 0.6139000E-01 0.8708000 
1 1 1  -28    6   28 o   4.2010   0.6164   4.7750   0.7432   3.6270   0.9835 1.148000 1.233000 
1 1 1  -28    6   29 o   11.360   0.2686   11.150   0.3667   11.580   0.3927 -0.4277000 0.5373000 
1 1 1  -28    6   30 o   9.7970   0.3341   9.4760   0.5095   10.120   0.4324 -0.6425000 0.6683000 
1 1 1  -28    6   31 o   3.8230   0.7647   3.1670   1.2290   4.4800   0.9107 -1.313000 1.529000 
1 1 1  -28    6   32 o   2.7140   0.7845   2.7540   1.0870   2.6750   1.1310 0.7900000E-01 1.569000 
1 1 1  -28    6   33 o   2.6400   1.2380   2.6400   1.2380  ?   ?       ?      ? 
1 1 1  -28    8    1 o   41.130   0.2369   41.160   0.3572   41.100   0.3112 0.5615000E-01 0.4737000 
1 1 1  -28    8    2 o   9.2200   0.1955   9.1360   0.2901   9.3040   0.2621 -0.1676000 0.3909000 
1 1 1  -28    8    3 o   42.130   0.2235   42.130   0.3159   42.120   0.3161 0.9796000E-02 0.4469000 
1 1 1  -28    8    4 f   13.970   0.1496   13.910   0.2119   14.040   0.2112 -0.1330000 0.2991000 
1 1 1  -28    8    5 o   38.540   0.2074   38.510   0.2927   38.570   0.2940 -0.6643000E-01 0.4148000 
1 1 1  -28    8    6 o   20.860   0.1805   20.500   0.2932   21.220   0.2106 -0.7230000 0.3609000 
1 1 1  -28    8    7 o   58.550   0.3868   57.930   0.4859   59.170   0.6019 -1.243000 0.7735000 
1 1 1  -28    8    8 o   29.020   0.2843   29.020   0.2843  ?   ?       ?      ? 
1 1 1  -28    8    9 o   28.000   0.2190   27.460   0.2769   28.530   0.3394 -1.071000 0.4381000 
1 1 1  -28    8   10 o   45.200   0.3113   46.850   0.4041   43.550   0.4736 3.299000 0.6225000 
1 1 1  -28    8   11 o   54.860   0.3697   54.230   0.4603   55.490   0.5787 -1.266000 0.7394000 
1 1 1  -28    8   12 o   17.260   0.2145   17.360   0.2650   17.160   0.3373 0.2035000 0.4290000 
1 1 1  -28    8   13 o   29.890   0.2113   29.760   0.2986   30.020   0.2990 -0.2594000 0.4226000 
1 1 1  -28    8   14 o   7.8070   0.3299   7.8740   0.4743   7.7400   0.4587 0.1338000 0.6599000 
1 1 1  -28    8   15 o   42.800   0.2699   43.140   0.3851   42.470   0.3784 0.6675000 0.5398000 
1 1 1  -28    8   16 o   8.9400   0.3045   8.6800   0.4521   9.2010   0.4079 -0.5210000 0.6089000 
1 1 1  -28    8   17 o   30.350   0.2435   29.740   0.3758   30.950   0.3096 -1.215000 0.4869000 
1 1 1  -28    8   18 o   14.050   0.2790   13.910   0.3994   14.190   0.3897 -0.2762000 0.5580000 
1 1 1  -28    8   19 o   19.600   0.1899   19.900   0.2522   19.290   0.2841 0.6098000 0.3799000 
1 1 1  -28    8   20 o   14.900   0.2361   14.960   0.2691   14.840   0.3879 0.1181000 0.4721000 
1 1 1  -28    8   21 o   9.0090   0.3403   9.1020   0.4183   8.9160   0.5369 0.1860000 0.6806000 
1 1 1  -28    8   22 o   21.840   0.1948   22.080   0.2554   21.610   0.2941 0.4698000 0.3896000 
1 1 1  -28    8   23 o   14.380   0.2525   13.970   0.3411   14.780   0.3724 -0.8131000 0.5050000 
1 1 1  -28    8   24 o   2.1400   0.6408   2.0930   0.8875   2.1860   0.9245 -0.9285000E-01 1.282000 
1 1 1  -28    8   25 o   3.4360   0.6564   3.9780   0.8551   2.8940   0.9960 1.084000 1.313000 
1 1 1  -28    8   26 o   5.0080   0.6078   5.4880   0.6988   4.5280   0.9947 0.9602000 1.216000 
1 1 1  -28    8   27 o   5.7260   0.4569   5.4250   0.6530   6.0280   0.6394 -0.6030000 0.9139000 
1 1 1  -28    8   28 o   16.890   0.2155   17.160   0.2884   16.620   0.3204 0.5451000 0.4311000 
1 1 1  -28    8   29 o   6.8520   0.3957   7.1340   0.5165   6.5710   0.5995 0.5630000 0.7913000 
1 1 1  -28    8   30 f   3.3800   0.7153   3.4480   0.9835   3.3120   1.0390 0.1361000 1.431000 
1 1 1  -28    8   31 o   1.9830   0.6702   1.9550   0.9482   2.0110   0.9474 -0.5590000E-01 1.340000 
1 1 1  -28    8   32 o   10.900   0.3757   10.690   0.6155   11.120   0.4308 -0.4362000 0.7513000 
1 1 1  -28   10    1 o   2.5670   0.6854   2.9410   1.0370   2.1940   0.8962 0.7472000 1.371000 
1 1 1  -28   10    2 o   10.160   0.2485   10.480   0.3480   9.8300   0.3548 0.6532000 0.4970000 
1 1 1  -28   10    3 o   14.420   0.2026   14.660   0.2899   14.170   0.2831 0.4938000 0.4052000 
1 1 1  -28   10    4 o   7.5770   0.2569   7.2700   0.3731   7.8850   0.3533 -0.6153000 0.5139000 
1 1 1  -28   10    5 o   20.950   0.1590   21.010   0.2242   20.890   0.2255 0.1226000 0.3180000 
1 1 1  -28   10    6 o   20.410   0.1736   20.800   0.2645   20.030   0.2251 0.7662000 0.3473000 
1 1 1  -28   10    7 o   8.6150   0.2833   8.1720   0.4138   9.0590   0.3871 -0.8871000 0.5667000 
1 1 1  -28   10    8 o   17.960   0.1920   18.150   0.2699   17.770   0.2731 0.3766000 0.3840000 
1 1 1  -28   10    9 o   21.840   0.2770   21.840   0.2770  ?   ?       ?      ? 
1 1 1  -28   10   10 o   31.230   0.2415   31.240   0.3087   31.220   0.3716 0.1895000E-01 0.4831000 
1 1 1  -28   10   11 o   39.870   0.3615   40.050   0.3646   39.700   0.6244 0.3457000 0.7230000 
1 1 1  -28   10   12 o   13.940   0.2486   14.400   0.3710   13.480   0.3309 0.9159000 0.4971000 
1 1 1  -28   10   13 f   28.320   0.2389   28.710   0.3737   27.930   0.2978 0.7801000 0.4778000 
1 1 1  -28   10   14 o   34.160   0.2343   33.900   0.3301   34.420   0.3327 -0.5113000 0.4687000 
1 1 1  -28   10   15 o   33.420   0.2853   33.670   0.4031   33.170   0.4039 0.5001000 0.5706000 
1 1 1  -28   10   16 o   16.410   0.2679   16.220   0.3738   16.600   0.3840 -0.3795000 0.5359000 
1 1 1  -28   10   17 o   10.670   0.2758   10.800   0.3950   10.540   0.3850 0.2607000 0.5517000 
1 1 1  -28   10   18 o   11.190   0.2690   11.360   0.3749   11.030   0.3859 0.3260000 0.5380000 
1 1 1  -28   10   19 o   6.0190   0.5102   5.8550   0.6883   6.1830   0.7532 -0.3274000 1.020000 
1 1 1  -28   10   20 o   14.010   0.2836   13.910   0.4069   14.100   0.3952 -0.1910000 0.5673000 
1 1 1  -28   10   21 o   15.260   0.2294   15.510   0.3335   15.010   0.3149 0.4954000 0.4587000 
1 1 1  -28   10   22 o   17.140   0.2787   17.020   0.4225   17.250   0.3635 -0.2366000 0.5574000 
1 1 1  -28   10   23 o   21.990   0.2176   22.190   0.3127   21.790   0.3027 0.4027000 0.4352000 
1 1 1  -28   10   24 o   3.4620   0.6692   3.7050   0.8791   3.2200   1.0090 0.4849000 1.338000 
1 1 1  -28   10   25 o   5.0730   0.6463   5.9000   0.6811   4.2460   1.0990 1.654000 1.293000 
1 1 1  -28   10   26 o   5.4700   0.4864   5.3830   0.6641   5.5570   0.7109 -0.1740000 0.9728000 
1 1 1  -28   10   27 o   8.8160   0.3228   9.0880   0.4139   8.5430   0.4954 0.5443000 0.6456000 
1 1 1  -28   10   28 o   3.1540   0.7178   3.2060   0.9919   3.1020   1.0380 0.1037000 1.436000 
1 1 1  -28   10   29 o   9.8160   0.3506   10.010   0.4066   9.6180   0.5713 0.3952000 0.7012000 
1 1 1  -28   10   30 o   4.1490   0.7752   5.1160   0.9962   3.1810   1.1880 1.935000 1.550000 
1 1 1  -28   10   31 o   1.8200   0.6021   1.7590   0.8261   1.8800   0.8762 -0.1206000 1.204000 
1 1 1  -28   12    1 o   23.160   0.1864   23.100   0.2798   23.220   0.2464 -0.1289000 0.3728000 
1 1 1  -28   12    2 o   26.630   0.1794   26.540   0.2536   26.720   0.2538 -0.1735000 0.3588000 
1 1 1  -28   12    3 o   41.480   0.2291   41.410   0.3231   41.550   0.3248 -0.1411000 0.4581000 
1 1 1  -28   12    4 o   27.270   0.1970   27.320   0.2538   27.220   0.3012 0.1035000 0.3939000 
1 1 1  -28   12    5 o   21.310   0.1705   21.440   0.2404   21.180   0.2419 0.2634000 0.3411000 
1 1 1  -28   12    6 o   29.310   0.1847   29.600   0.2619   29.010   0.2606 0.5900000 0.3694000 
1 1 1  -28   12    7 o   40.700   0.2448   40.650   0.3698   40.750   0.3207 -0.1037000 0.4895000 
1 1 1  -28   12    8 o   15.950   0.2007   15.720   0.3048   16.190   0.2613 -0.4754000 0.4015000 
1 1 1  -28   12    9 o   14.360   0.2167   14.090   0.3313   14.630   0.2794 -0.5390000 0.4334000 
1 1 1  -28   12   10 o   18.380   0.1968   18.070   0.2976   18.690   0.2575 -0.6157000 0.3936000 
1 1 1  -28   12   11 o   39.670   0.2885   39.930   0.3696   39.410   0.4432 0.5233000 0.5771000 
1 1 1  -28   12   12 o   21.770   0.3188   21.850   0.3535   21.690   0.5307 0.1521000 0.6377000 
1 1 1  -28   12   13 o   12.850   0.3236   13.330   0.4225   12.380   0.4901 0.9481000 0.6471000 
1 1 1  -28   12   14 o   28.950   0.2218   29.010   0.3148   28.880   0.3127 0.1320000 0.4437000 
1 1 1  -28   12   15 o   15.650   0.2253   15.330   0.3237   15.960   0.3135 -0.6317000 0.4507000 
1 1 1  -28   12   16 o   6.1250   0.4802   6.3820   0.6390   5.8680   0.7171 0.5144000 0.9605000 
1 1 1  -28   12   17 o   3.5740   0.7446   4.1630   0.9597   2.9850   1.1390 1.178000 1.489000 
1 1 1  -28   12   18 o   20.150   0.2656   20.250   0.3705   20.050   0.3806 0.1992000 0.5312000 
1 1 1  -28   12   19 o   6.5590   0.4856   5.8940   0.7960   7.2240   0.5563 -1.330000 0.9712000 
1 1 1  -28   12   20 o   8.7080   0.4229   8.9630   0.6325   8.4540   0.5615 0.5081000 0.8458000 
1 1 1  -28   12   21 o   11.670   0.2676   11.930   0.3745   11.420   0.3824 0.5057000 0.5352000 
1 1 1  -28   12   22 o   11.810   0.2697   12.000   0.3832   11.630   0.3796 0.3685000 0.5394000 
1 1 1  -28   12   23 o   13.460   0.2489   13.190   0.3566   13.740   0.3472 -0.5562000 0.4977000 
1 1 1  -28   12   24 o   4.8100   0.6585   4.5990   0.8992   5.0220   0.9624 -0.4235000 1.317000 
1 1 1  -28   12   25 o   14.680   0.2496   14.540   0.3636   14.810   0.3420 -0.2728000 0.4991000 
1 1 1  -28   12   26 o   10.180   0.3116   10.160   0.4546   10.190   0.4262 -0.2775000E-01 0.6231000 
1 1 1  -28   12   27 o   10.750   0.2871   10.700   0.3920   10.810   0.4196 -0.1073000 0.5742000 
1 1 1  -28   12   28 o   8.5420   0.3518   8.8460   0.4680   8.2390   0.5253 0.6064000 0.7035000 
1 1 1  -28   12   29 o   9.6160   0.3975   10.120   0.4863   9.1070   0.6288 1.018000 0.7949000 
1 1 1  -28   12   30 o   3.6860   0.6952   4.6360   0.8909   2.7360   1.0670 1.901000 1.390000 
1 1 1  -28   14    1 o   9.3970   0.3189   8.8430   0.4834   9.9500   0.4160 -1.107000 0.6377000 
1 1 1  -28   14    2 o   23.330   0.2083   22.970   0.2930   23.690   0.2963 -0.7193000 0.4167000 
1 1 1  -28   14    3 o   24.120   0.2072   24.080   0.2887   24.170   0.2974 -0.9904000E-01 0.4144000 
1 1 1  -28   14    4 o   19.340   0.2077   19.450   0.2872   19.220   0.3000 0.2295000 0.4154000 
1 1 1  -28   14    5 o   19.930   0.2072   20.150   0.2849   19.710   0.3009 0.4469000 0.4144000 
1 1 1  -28   14    6 o   23.600   0.2079   23.960   0.2888   23.240   0.2993 0.7249000 0.4159000 
1 1 1  -28   14    7 o   15.170   0.3291  ?   ?    15.170   0.3291      ?      ? 
1 1 1  -28   14    8 o   5.2820   0.6070   5.0390   0.9565   5.5250   0.7474 -0.4868000 1.214000 
1 1 1  -28   14    9 o   24.090   0.2013   23.950   0.3058   24.230   0.2620 -0.2797000 0.4027000 
1 1 1  -28   14   10 o   13.050   0.2443   12.830   0.3779   13.260   0.3097 -0.4325000 0.4886000 
1 1 1  -28   14   11 o   6.7600   0.4066   6.5220   0.6359   6.9970   0.5069 -0.4749000 0.8132000 
1 1 1  -28   14   12 o   24.410   0.2198   24.710   0.3072   24.110   0.3144 0.5942000 0.4396000 
1 1 1  -28   14   13 o   4.2140   0.7539   4.6550   0.9230   3.7740   1.1920 0.8809000 1.508000 
1 1 1  -28   14   14 f   18.800   0.3175   18.800   0.3175  ?   ?       ?      ? 
1 1 1  -28   14   15 o   19.810   0.2461   19.840   0.3097   19.770   0.3826 0.6968000E-01 0.4922000 
1 1 1  -28   14   16 o   9.7790   0.3773   9.7160   0.5420   9.8430   0.5252 -0.1267000 0.7547000 
1 1 1  -28   14   17 o   5.6350   0.7992   5.5540   1.3500   5.7160   0.8556 -0.1618000 1.598000 
1 1 1  -28   14   18 o   18.350   0.2757   18.020   0.4052   18.690   0.3739 -0.6688000 0.5513000 
1 1 1  -28   14   19 f   12.490   0.2701   12.850   0.3749   12.130   0.3890 0.7276000 0.5402000 
1 1 1  -28   14   20 o   11.590   0.2798   11.780   0.3973   11.400   0.3940 0.3761000 0.5596000 
1 1 1  -28   14   21 o   6.9330   0.4264   6.6990   0.6266   7.1660   0.5786 -0.4678000 0.8529000 
1 1 1  -28   14   22 o   6.4390   0.5369   7.1610   0.5817   5.7180   0.9026 1.443000 1.074000 
1 1 1  -28   14   23 o   16.100   0.2709   16.420   0.3419   15.780   0.4204 0.6436000 0.5418000 
1 1 1  -28   14   24 o   14.420   0.2526   14.420   0.3589   14.420   0.3556 -0.3090000E-02 0.5052000 
1 1 1  -28   14   25 o   9.8700   0.3222   9.5640   0.4684   10.180   0.4425 -0.6124000 0.6443000 
1 1 1  -28   14   26 o   14.980   0.2542   15.160   0.3601   14.800   0.3589 0.3570000 0.5084000 
1 1 1  -28   14   27 o   2.7400   0.7889   3.0700   1.1550   2.4110   1.0750 0.6591000 1.578000 
1 1 1  -28   14   28 o   6.1250   0.6490   6.0790   0.9038   6.1710   0.9316 -0.9168000E-01 1.298000 
1 1 1  -28   14   29 o   1.7040   0.5793   1.5940   0.7821   1.8130   0.8549 -0.2191000 1.159000 
1 1 1  -28   16    1 o   13.280   0.2311   13.190   0.3305   13.370   0.3230 -0.1836000 0.4621000 
1 1 1  -28   16    2 o   19.390   0.1950   19.010   0.2744   19.760   0.2772 -0.7495000 0.3901000 
1 1 1  -28   16    3 o   21.940   0.1896   21.920   0.2667   21.960   0.2696 -0.4552000E-01 0.3793000 
1 1 1  -28   16    4 o   7.5530   0.3518   7.2980   0.5036   7.8070   0.4913 -0.5089000 0.7036000 
1 1 1  -28   16    5 f   8.9330   0.2986   9.0060   0.4200   8.8590   0.4245 0.1470000 0.5972000 
1 1 1  -28   16    6 o   4.7050   0.5475   4.8890   0.7359   4.5220   0.8108 0.3670000 1.095000 
1 1 1  -28   16    7 o   10.760   0.2815   10.730   0.4318   10.780   0.3613 -0.5043000E-01 0.5631000 
1 1 1  -28   16    8 o   7.7350   0.3707   7.7680   0.5591   7.7020   0.4869 0.6636000E-01 0.7414000 
1 1 1  -28   16    9 o   13.760   0.2396   14.010   0.3605   13.510   0.3156 0.4954000 0.4791000 
1 1 1  -28   16   10 o   23.020   0.2083   23.070   0.3185   22.970   0.2686 0.1036000 0.4167000 
1 1 1  -28   16   11 o   12.770   0.2549   13.000   0.3841   12.530   0.3353 0.4751000 0.5099000 
1 1 1  -28   16   12 o   12.520   0.3113   12.520   0.3916   12.510   0.4839 0.9742000E-02 0.6225000 
1 1 1  -28   16   13 o   17.670   0.4291   18.510   0.6279   16.830   0.5851 1.675000 0.8582000 
1 1 1  -28   16   14 o   10.840   0.5808   11.200   0.7495   10.490   0.8875 0.7119000 1.162000 
1 1 1  -28   16   15 o   15.450   0.3161   14.930   0.4564   15.980   0.4374 -1.047000 0.6322000 
1 1 1  -28   16   16 o   10.240   0.3192   10.720   0.4266   9.7590   0.4750 0.9570000 0.6385000 
1 1 1  -28   16   17 o   11.810   0.2805   11.820   0.3955   11.800   0.3977 0.1760000E-01 0.5609000 
1 1 1  -28   16   18 o   18.630   0.2288   18.910   0.3219   18.350   0.3252 0.5591000 0.4576000 
1 1 1  -28   16   19 o   2.7010   0.7291   2.4030   1.0010   2.9990   1.0610 -0.5957000 1.458000 
1 1 1  -28   16   20 o   20.620   0.2297   20.920   0.3228   20.320   0.3268 0.6017000 0.4593000 
1 1 1  -28   16   21 o   8.2120   0.4320   8.6070   0.5108   7.8170   0.6969 0.7903000 0.8640000 
1 1 1  -28   16   22 o   12.870   0.2791   12.990   0.3910   12.760   0.3983 0.2272000 0.5581000 
1 1 1  -28   16   23 o   7.6060   0.4129   7.6900   0.5819   7.5220   0.5859 0.1680000 0.8257000 
1 1 1  -28   16   24 o   14.410   0.2623   14.090   0.3819   14.730   0.3598 -0.6423000 0.5246000 
1 1 1  -28   16   25 o   7.0280   0.4504   7.1360   0.6468   6.9190   0.6271 0.2170000 0.9009000 
1 1 1  -28   16   26 o   3.9310   0.8652   3.4150   1.2190   4.4460   1.2280 -1.031000 1.730000 
1 1 1  -28   16   27 o   1.8950   0.6273   1.6970   0.8239   2.0930   0.9461 -0.3956000 1.255000 
1 1 1  -28   16   28 o   5.5870   0.5699   5.5070   0.8363   5.6660   0.7743 -0.1589000 1.140000 
1 1 1  -28   18    1 o   12.060   0.3540   11.460   0.5110   12.660   0.4901 -1.197000 0.7080000 
1 1 1  -28   18    2 o   16.230   0.3077   16.290   0.4280   16.170   0.4422 0.1262000 0.6154000 
1 1 1  -28   18    3 o   7.3950   0.5396   7.9490   0.7015   6.8420   0.8200 1.107000 1.079000 
1 1 1  -28   18    4 o   12.910   0.3338   12.710   0.4682   13.110   0.4760 -0.3997000 0.6676000 
1 1 1  -28   18    5 o   2.3180   0.7384   2.0830   0.9775   2.5540   1.1070 -0.4712000 1.477000 
1 1 1  -28   18    6 o   18.500   0.2830   18.110   0.4031   18.890   0.3972 -0.7784000 0.5660000 
1 1 1  -28   18    7 o   5.5690   0.8696   5.1600   1.4770   5.9770   0.9189 -0.8169000 1.739000 
1 1 1  -28   18    8 o   12.730   0.4352   12.860   0.7249   12.600   0.4819 0.2605000 0.8705000 
1 1 1  -28   18    9 f   4.1240   0.9748   4.2950   1.5380   3.9520   1.1990 0.3425000 1.950000 
1 1 1  -28   18   10 o   12.210   0.3732   12.650   0.5201   11.770   0.5354 0.8788000 0.7464000 
1 1 1  -28   18   11 o   15.500   0.2881   15.970   0.3597   15.020   0.4502 0.9481000 0.5763000 
1 1 1  -28   18   12 o   9.1320   0.3304   9.3420   0.4899   8.9220   0.4435 0.4200000 0.6608000 
1 1 1  -28   18   13 o   8.0420   0.3676   7.4980   0.5826   8.5870   0.4483 -1.088000 0.7351000 
1 1 1  -28   18   14 o   3.9190   0.6996   4.0600   1.0210   3.7780   0.9571 0.2818000 1.399000 
1 1 1  -28   18   15 o   13.400   0.3001   13.180   0.3816   13.610   0.4633 -0.4236000 0.6002000 
1 1 1  -28   18   16 o   2.7520   0.7840   2.5710   1.0290   2.9330   1.1830 -0.3614000 1.568000 
1 1 1  -28   18   17 o   8.6790   0.3762   8.8870   0.5082   8.4720   0.5549 0.4155000 0.7524000 
1 1 1  -28   18   18 o   8.7200   0.4162   8.5880   0.5358   8.8520   0.6370 -0.2636000 0.8323000 
1 1 1  -28   18   19 o   11.620   0.3311   11.640   0.4196   11.610   0.5123 0.2889000E-01 0.6622000 
1 1 1  -28   18   20 o   8.6390   0.3708   8.9820   0.5080   8.2970   0.5402 0.6847000 0.7415000 
1 1 1  -28   18   21 o   7.6600   0.4120   7.6360   0.5954   7.6830   0.5696 -0.4646000E-01 0.8240000 
1 1 1  -28   18   22 o   3.7990   0.7401   4.5190   0.9902   3.0780   1.1000 1.441000 1.480000 
1 1 1  -28   18   23 o   16.530   0.3228   16.790   0.4416   16.280   0.4709 0.5101000 0.6456000 
1 1 1  -28   18   24 o   7.4070   0.5682   6.8460   0.8243   7.9680   0.7822 -1.122000 1.136000 
1 1 1  -28   18   25 o   7.1860   0.4657   6.9260   0.6797   7.4460   0.6368 -0.5197000 0.9314000 
1 1 1  -28   18   26 f   4.1870   0.7481   4.6130   0.9931   3.7600   1.1190 0.8534000 1.496000 
1 1 1  -28   18   27 f   5.8150   1.5560   5.8150   1.5560  ?   ?       ?      ? 
1 1 1  -28   20    1 o   7.5930   0.3794   7.5080   0.5276   7.6790   0.5454 -0.1715000 0.7588000 
1 1 1  -28   20    2 o   10.440   0.2839   10.200   0.3996   10.680   0.4033 -0.4797000 0.5677000 
1 1 1  -28   20    3 o   9.8090   0.2942   9.7300   0.4152   9.8890   0.4169 -0.1596000 0.5884000 
1 1 1  -28   20    4 f   2.2910   0.6774   2.2260   0.9436   2.3550   0.9721 -0.1285000 1.355000 
1 1 1  -28   20    5 o   7.3470   0.3761   7.4730   0.5148   7.2200   0.5485 0.2536000 0.7522000 
1 1 1  -28   20    6 o   9.5210   0.3042   9.6180   0.4168   9.4230   0.4431 0.1954000 0.6083000 
1 1 1  -28   20    7 o   23.170   0.2210   23.220   0.2803   23.130   0.3417 0.9631000E-01 0.4419000 
1 1 1  -28   20    8 o   11.870   0.3453   11.810   0.4266   11.930   0.5432 -0.1143000 0.6907000 
1 1 1  -28   20    9 o   15.440   0.2969   15.460   0.3666   15.410   0.4671 0.5046000E-01 0.5938000 
1 1 1  -28   20   10 o   9.4560   0.3357   9.1520   0.5281   9.7600   0.4147 -0.6079000 0.6714000 
1 1 1  -28   20   11 o   17.070   0.2304   17.200   0.3536   16.930   0.2954 0.2676000 0.4608000 
1 1 1  -28   20   12 o   18.420   0.2248   18.030   0.3446   18.810   0.2888 -0.7811000 0.4496000 
1 1 1  -28   20   13 o   13.740   0.2534   13.640   0.3851   13.830   0.3294 -0.1961000 0.5068000 
1 1 1  -28   20   14 o   3.1550   0.7266   2.2860   0.9980   4.0250   1.0560 -1.738000 1.453000 
1 1 1  -28   20   15 o   4.8470   0.6527   4.1720   1.0350   5.5220   0.7961 -1.351000 1.305000 
1 1 1  -28   20   16 o   5.0630   0.8119   5.1670   0.8648   4.9590   1.3740 0.2087000 1.624000 
1 1 1  -28   20   17 o   6.9260   0.5344   6.9050   0.6505   6.9460   0.8481 -0.4080000E-01 1.069000 
1 1 1  -28   20   18 o   9.3800   0.3606   9.4050   0.5045   9.3540   0.5152 0.5164000E-01 0.7211000 
1 1 1  -28   20   19 o   6.8140   0.4727   7.4030   0.6109   6.2260   0.7216 1.177000 0.9455000 
1 1 1  -28   20   20 o   5.5160   0.6024   5.5600   0.8433   5.4730   0.8605 0.8687000E-01 1.205000 
1 1 1  -28   20   21 o   2.2340   0.7271   2.2830   1.0330   2.1860   1.0240 0.9744000E-01 1.454000 
1 1 1  -28   20   22 o   3.0870   0.6904   1.9490   0.9088   4.2250   1.0390 -2.276000 1.381000 
1 1 1  -28   20   23 o   2.2740   0.7036   2.1440   0.9669   2.4040   1.0220 -0.2600000 1.407000 
1 1 1  -28   20   24 o   4.2580   0.7521   4.3660   1.0560   4.1500   1.0710 0.2162000 1.504000 
1 1 1  -28   20   25 o   2.5510   0.8190   2.7420   1.1860   2.3600   1.1290 0.3819000 1.638000 
1 1 1  -28   22    1 o   9.6250   0.3823   9.0500   0.5812   10.200   0.4969 -1.150000 0.7647000 
1 1 1  -28   22    2 o   4.9090   0.6864   4.6190   1.0230   5.1980   0.9160 -0.5785000 1.373000 
1 1 1  -28   22    3 o   3.3130   0.7907   2.8980   1.1080   3.7290   1.1280 -0.8312000 1.581000 
1 1 1  -28   22    4 o   5.4320   0.6092   5.2550   0.8734   5.6100   0.8494 -0.3552000 1.218000 
1 1 1  -28   22    5 o   6.8400   0.5721   6.5970   0.7247   7.0830   0.8854 -0.4862000 1.144000 
1 1 1  -28   22    6 o   17.350   0.2912   17.710   0.3553   16.990   0.4614 0.7113000 0.5824000 
1 1 1  -28   22    7 o   11.360   0.3215   11.360   0.4546   11.360   0.4547 0.3036000E-02 0.6430000 
1 1 1  -28   22    8 o   9.4250   0.3595   9.2900   0.5104   9.5590   0.5064 -0.2686000 0.7190000 
1 1 1  -28   22    9 o   6.6920   0.4974   6.7420   0.7046   6.6420   0.7021 0.9997000E-01 0.9947000 
1 1 1  -28   22   10 o   5.7560   0.5721   5.5960   0.8408   5.9150   0.7761 -0.3187000 1.144000 
1 1 1  -28   22   11 o   6.1180   0.5370   6.5990   0.7199   5.6370   0.7971 0.9615000 1.074000 
1 1 1  -28   22   12 o   4.5170   0.6591   5.0810   0.9222   3.9530   0.9420 1.128000 1.318000 
1 1 1  -28   22   13 o   5.2850   0.5709   5.2240   0.8696   5.3470   0.7398 -0.1233000 1.142000 
1 1 1  -28   22   14 o   9.0930   0.3518   9.2070   0.5232   8.9790   0.4704 0.2279000 0.7036000 
1 1 1  -28   22   15 f   4.9270   0.6230   4.9800   0.9252   4.8740   0.8345 0.1053000 1.246000 
1 1 1  -28   22   16 o   2.7750   0.7497   2.7890   1.0910   2.7610   1.0280 0.2862000E-01 1.499000 
1 1 1  -28   22   17 o   12.190   0.3749   12.060   0.5285   12.330   0.5319 -0.2705000 0.7498000 
1 1 1  -28   22   18 o   2.9170   0.8279   3.2630   1.2060   2.5710   1.1340 0.6915000 1.656000 
1 1 1  -28   22   19 f   5.2090   0.6512   5.2500   0.9059   5.1680   0.9358 0.8134000E-01 1.302000 
1 1 1  -28   22   20 o   10.040   0.3327   10.270   0.4942   9.8130   0.4454 0.4602000 0.6653000 
1 1 1  -28   22   21 o   2.0550   0.6614   2.1840   0.9810   1.9260   0.8872 0.2577000 1.323000 
1 1 1  -28   22   22 o   3.0450   0.8019   3.0890   1.1350   3.0010   1.1330 0.8800000E-01 1.604000 
1 1 1  -28   24    1 o   6.0190   0.5224   5.6520   0.7299   6.3860   0.7477 -0.7338000 1.045000 
1 1 1  -28   24    2 o   2.6840   0.7865   2.5150   1.0040   2.8530   1.2110 -0.3383000 1.573000 
1 1 1  -28   24    3 o   2.6010   0.7672   1.8740   0.8684   3.3290   1.2650 -1.455000 1.534000 
1 1 1  -28   24    4 o   8.0770   0.3657   7.7640   0.5317   8.3910   0.5022 -0.6269000 0.7314000 
1 1 1  -28   24    5 o   4.7140   0.6083   4.4380   0.8844   4.9890   0.8356 -0.5511000 1.217000 
1 1 1  -28   24    6 o   3.2730   0.7301   2.9700   1.0380   3.5760   1.0270 -0.6062000 1.460000 
1 1 1  -28   24    7 o   6.3880   0.4485   6.0190   0.6691   6.7570   0.5976 -0.7377000 0.8971000 
1 1 1  -28   24    8 o   2.9280   0.7405   2.4850   1.0400   3.3720   1.0540 -0.8868000 1.481000 
1 1 1  -28   24    9 o   4.3670   0.6808   5.1700   0.8958   3.5630   1.0250 1.607000 1.362000 
1 1 1  -28   24   10 o   4.2510   0.7848   5.1900   1.0720   3.3130   1.1460 1.877000 1.570000 
1 1 1  -28   24   11 o   7.6430   0.4831   8.3540   0.6845   6.9330   0.6818 1.420000 0.9662000 
1 1 1  -28   24   12 o   8.7320   0.4342   8.5180   0.6808   8.9460   0.5392 -0.4276000 0.8684000 
1 1 1  -28   24   13 o   2.3370   0.7352   2.4770   1.0940   2.1980   0.9825 0.2798000 1.470000 
1 1 1  -28   24   14 o   8.2210   0.3838   8.2910   0.5755   8.1500   0.5081 0.1409000 0.7677000 
1 1 1  -28   24   15 o   5.2640   0.6320   4.0020   1.0940   6.5270   0.6337 -2.525000 1.264000 
1 1 1  -28   24   16 o   3.4430   0.7648   3.2030   1.1380   3.6830   1.0220 -0.4801000 1.530000 
1 1 1  -28   24   17 o   4.4250   0.7050   3.9370   1.1110   4.9130   0.8678 -0.9759000 1.410000 
1 1 1  -28   24   18 o   4.7850   0.7782   5.7630   0.8304   3.8070   1.3160 1.956000 1.556000 
1 1 1  -28   24   19 o   2.3890   0.7571   1.8830   0.8941   2.8950   1.2220 -1.012000 1.514000 
1 1 1  -28   24   20 o   2.0160   0.6883   1.9890   0.9654   2.0420   0.9813 -0.5230000E-01 1.377000 
1 1 1  -28   26    1 o   7.1570   0.4344   6.6490   0.6664   7.6650   0.5575 -1.016000 0.8688000 
1 1 1  -28   26    2 o   8.0200   0.3845   8.2360   0.5322   7.8040   0.5550 0.4321000 0.7690000 
1 1 1  -28   26    3 o   2.0670   0.6574   2.1820   0.9616   1.9520   0.8966 0.2301000 1.315000 
1 1 1  -28   26    4 o   2.3610   0.6882   2.8080   1.0540   1.9140   0.8849 0.8946000 1.376000 
1 1 1  -28   26    5 o   7.2350   0.4204   7.4900   0.5750   6.9800   0.6135 0.5104000 0.8408000 
1 1 1  -28   26    6 o   6.6850   0.4492   6.5390   0.6606   6.8320   0.6088 -0.2933000 0.8984000 
1 1 1  -28   26    7 o   11.150   0.2936   10.920   0.4253   11.370   0.4048 -0.4492000 0.5872000 
1 1 1  -28   26    8 o   1.9960   0.6509   1.9900   0.9339   2.0030   0.9070 -0.1340000E-01 1.302000 
1 1 1  -28   26    9 o   4.2380   0.7298   4.1170   1.1000   4.3600   0.9589 -0.2430000 1.460000 
1 1 1  -28   26   10 o   6.4630   0.5119   6.2100   0.8047   6.7170   0.6328 -0.5070000 1.024000 
1 1 1  -28   26   11 o   2.2840   0.6974   2.8740   1.1350   1.6950   0.8110 1.179000 1.395000 
1 1 1  -28   26   12 o   2.7330   0.7333   2.2670   1.0180   3.1990   1.0560 -0.9323000 1.467000 
1 1 1  -28   26   13 o   2.2230   0.6937   2.5540   1.0780   1.8920   0.8735 0.6619000 1.387000 
1 1 1  -28   26   14 o   3.1150   0.7790   3.4930   1.1550   2.7370   1.0450 0.7560000 1.558000 
1 1 1  -28   26   15 o   2.1830   0.6859   2.1340   0.9738   2.2310   0.9663 -0.9752000E-01 1.372000 
1 1 1  -28   26   16 o   1.8320   0.6112   1.6370   0.8049   2.0260   0.9200 -0.3896000 1.222000 
1 1 1  -28   28    1 o   1.8730   0.6218   1.6820   0.8151   2.0650   0.9393 -0.3829000 1.244000 
1 1 1  -28   28    2 o   2.7180   0.7508   2.5590   1.0440   2.8770   1.0790 -0.3184000 1.502000 
1 1 1  -28   28    3 o   2.5010   0.7117   3.0460   1.1000   1.9550   0.9031 1.091000 1.423000 
1 1 1  -28   28    4 o   5.4740   0.5782   5.8940   0.7564   5.0530   0.8747 0.8407000 1.156000 
1 1 1  -28   28    5 o   2.4510   0.6887   3.1650   1.0980   1.7360   0.8309 1.429000 1.377000 
1 1 1  -28   28    6 o   2.3820   0.7139   2.3310   1.0090   2.4330   1.0100 -0.1018000 1.428000 
1 1 1  -28   28    7 o   2.0820   0.6615   2.2230   0.9744   1.9420   0.8950 0.2816000 1.323000 
1 1 1  -28   28    8 o   3.0300   0.7536   2.3770   1.0570   3.6830   1.0740 -1.307000 1.507000 
1 1 1  -28   28    9 o   4.2800   0.8245   3.7720   1.3030   4.7880   1.0100 -1.017000 1.649000 
1 1 1  -28   28   10 f   3.5020   0.8318   2.8460   1.2160   4.1580   1.1350 -1.312000 1.664000 
1 1 1  -27    1    1 o   14.510   0.1680   14.470   0.2871   14.550   0.1747 -0.7068000E-01 0.3361000 
1 1 1  -27    1    2 f   32.520   0.2754  ?   ?    32.520   0.2754      ?      ? 
1 1 1  -27    1    3 o   19.050   0.1809   18.920   0.3256   19.170   0.1576 -0.2501000 0.3617000 
1 1 1  -27    1    4 o   33.800   0.4945   33.800   0.4945  ?   ?       ?      ? 
1 1 1  -27    1    5 o   33.950   0.3506   33.950   0.3506  ?   ?       ?      ? 
1 1 1  -27    1    6 o   44.180   0.3163   43.950   0.4457   44.420   0.4491 -0.4704000 0.6327000 
1 1 1  -27    1    7 o   11.140   0.1163   11.070   0.1579   11.210   0.1708 -0.1406000 0.2326000 
1 1 1  -27    1    8 o   23.260   0.1639   23.560   0.2124   22.960   0.2496 0.5995000 0.3277000 
1 1 1  -27    1    9 o   42.320   0.2498   42.380   0.3537   42.260   0.3528 0.1209000 0.4996000 
1 1 1  -27    1   10 o   7.0570   0.1808   6.4150   0.2570   7.6980   0.2545 -1.283000 0.3617000 
1 1 1  -27    1   11 o   18.170   0.1455   17.920   0.2050   18.430   0.2067 -0.5179000 0.2911000 
1 1 1  -27    1   12 o   20.810   0.1571   21.200   0.2233   20.410   0.2211 0.7939000 0.3142000 
1 1 1  -27    1   13 o   50.130   0.2971   49.980   0.4190   50.280   0.4213 -0.3022000 0.5942000 
1 1 1  -27    1   14 o   47.930   0.2870   47.840   0.4052   48.020   0.4064 -0.1833000 0.5739000 
1 1 1  -27    1   15 o   30.090   0.1737   30.070   0.2454   30.110   0.2460 -0.4578000E-01 0.3475000 
1 1 1  -27    1   16 o   24.650   0.1598   24.660   0.2261   24.640   0.2258 0.1963000E-01 0.3195000 
1 1 1  -27    1   17 o   17.450   0.1578   17.240   0.2229   17.650   0.2234 -0.4108000 0.3156000 
1 1 1  -27    1   18 o   15.250   0.1810   14.940   0.2429   15.560   0.2686 -0.6227000 0.3621000 
1 1 1  -27    1   19 o   37.930   0.2113   37.950   0.2986   37.900   0.2989 0.4829000E-01 0.4225000 
1 1 1  -27    1   20 o   15.520   0.1755   15.540   0.2481   15.490   0.2484 0.4193000E-01 0.3511000 
1 1 1  -27    1   21 o   4.0640   0.6157   4.6100   0.7674   3.5180   0.9629 1.092000 1.231000 
1 1 1  -27    1   22 o   11.560   0.2757   11.360   0.3587   11.770   0.4187 -0.4084000 0.5514000 
1 1 1  -27    1   23 o   11.060   0.2208   11.130   0.3141   10.990   0.3103 0.1395000 0.4415000 
1 1 1  -27    1   24 o   6.7800   0.3330   6.5260   0.4848   7.0330   0.4566 -0.5062000 0.6660000 
1 1 1  -27    1   25 o   2.4810   0.6413   2.0290   0.8681   2.9340   0.9441 -0.9051000 1.283000 
1 1 1  -27    1   26 o   13.130   0.3695   12.930   0.4300   13.330   0.6011 -0.4064000 0.7391000 
1 1 1  -27    1   27 o   5.0970   0.5111   4.9740   0.6988   5.2190   0.7459 -0.2446000 1.022000 
1 1 1  -27    1   28 o   11.170   0.3034   11.090   0.3505   11.250   0.4954 -0.1611000 0.6069000 
1 1 1  -27    1   29 o   2.9290   0.7201   2.1910   1.0080   3.6670   1.0280 -1.475000 1.440000 
1 1 1  -27    1   30 o   2.7700   0.7759   2.9140   1.1600   2.6260   1.0300 0.2877000 1.552000 
1 1 1  -27    1   31 o   9.0150   0.3207   9.1000   0.4244   8.9310   0.4809 0.1696000 0.6414000 
1 1 1  -27    1   32 o   9.6920   0.3308   9.1740   0.4926   10.210   0.4415 -1.036000 0.6616000 
1 1 1  -27    1   33 o   5.9330   0.5983   6.0020   0.7550   5.8640   0.9283 0.1377000 1.197000 
1 1 1  -27    3    1 o   13.800   0.2139   14.700   0.3877   12.900   0.1808 1.800000 0.4278000 
1 1 1  -27    3    2 o   25.610   0.2334   25.600   0.4216   25.610   0.2003 -0.1081000E-01 0.4668000 
1 1 1  -27    3    3 o   26.490   0.2032  ?   ?    26.490   0.2032      ?      ? 
1 1 1  -27    3    4 o   12.070   0.1841   12.100   0.2558   12.030   0.2648 0.6892000E-01 0.3682000 
1 1 1  -27    3    5 o   56.140   0.4028   56.960   0.5771   55.310   0.5621 1.642000 0.8056000 
1 1 1  -27    3    6 o   60.320   0.4318   59.330   0.6004   61.300   0.6207 -1.974000 0.8635000 
1 1 1  -27    3    7 o   15.440   0.1525   15.360   0.1518   15.510   0.2645 -0.1525000 0.3050000 
1 1 1  -27    3    8 o   12.930   0.1621   12.930   0.1621  ?   ?       ?      ? 
1 1 1  -27    3    9 o   17.430   0.1396   17.400   0.1961   17.460   0.1987 -0.5719000E-01 0.2792000 
1 1 1  -27    3   10 o   24.370   0.1542   24.530   0.2022   24.200   0.2329 0.3290000 0.3084000 
1 1 1  -27    3   11 o   39.920   0.2258   39.930   0.2955   39.920   0.3416 0.8774000E-02 0.4517000 
1 1 1  -27    3   12 o   59.120   0.3871   59.070   0.4892   59.160   0.6001 -0.9802000E-01 0.7742000 
1 1 1  -27    3   13 o   23.350   0.1606   23.460   0.2108   23.240   0.2422 0.2259000 0.3211000 
1 1 1  -27    3   14 o   14.980   0.1959   15.060   0.2457   14.890   0.3053 0.1715000 0.3919000 
1 1 1  -27    3   15 o   27.180   0.1917   27.350   0.2728   27.000   0.2692 0.3527000 0.3833000 
1 1 1  -27    3   16 o   29.580   0.1893   29.630   0.2489   29.520   0.2853 0.1112000 0.3786000 
1 1 1  -27    3   17 o   8.1420   0.2713   8.3890   0.3534   7.8960   0.4116 0.4925000 0.5425000 
1 1 1  -27    3   18 o   31.180   0.2000   31.040   0.2618   31.320   0.3024 -0.2846000 0.4000000 
1 1 1  -27    3   19 f   11.160   0.2215   11.130   0.3007   11.190   0.3254 -0.5837000E-01 0.4431000 
1 1 1  -27    3   20 o   9.9830   0.2455   10.550   0.3150   9.4140   0.3767 1.139000 0.4910000 
1 1 1  -27    3   21 o   11.840   0.2684   11.830   0.3404   11.850   0.4152 -0.1998000E-01 0.5369000 
1 1 1  -27    3   22 o   29.940   0.2182   29.860   0.3098   30.030   0.3074 -0.1714000 0.4364000 
1 1 1  -27    3   23 o   29.900   0.2059   29.820   0.2695   29.970   0.3114 -0.1502000 0.4118000 
1 1 1  -27    3   24 o   22.160   0.1909   22.290   0.2514   22.030   0.2874 0.2527000 0.3819000 
1 1 1  -27    3   25 o   7.0310   0.4165   6.9610   0.5680   7.1000   0.6094 -0.1389000 0.8330000 
1 1 1  -27    3   26 o   5.6710   0.6534   5.8770   0.6809   5.4650   1.1150 0.4115000 1.307000 
1 1 1  -27    3   27 f   16.830   0.2422   17.140   0.2755   16.520   0.3985 0.6168000 0.4845000 
1 1 1  -27    3   28 o   8.1760   0.3290   7.5380   0.4685   8.8140   0.4621 -1.276000 0.6580000 
1 1 1  -27    3   29 o   4.5880   0.5791   4.6980   0.7602   4.4790   0.8737 0.2185000 1.158000 
1 1 1  -27    3   30 o   7.3410   0.4147   7.2520   0.6191   7.4310   0.5519 -0.1791000 0.8294000 
1 1 1  -27    3   31 o   4.5160   0.7467   4.6290   1.1640   4.4020   0.9355 0.2275000 1.493000 
1 1 1  -27    3   32 o   8.7050   0.3463   8.7810   0.4738   8.6290   0.5053 0.1521000 0.6927000 
1 1 1  -27    3   33 o   6.6400   0.5488   6.4490   0.7037   6.8310   0.8424 -0.3822000 1.098000 
1 1 1  -27    5    1 o   39.680   0.2555   39.760   0.4179   39.610   0.2940 0.1477000 0.5110000 
1 1 1  -27    5    2 o   31.230   0.2457   30.680   0.3365   31.780   0.3582 -1.096000 0.4915000 
1 1 1  -27    5    3 f   51.320   0.2818   51.380   0.4259   51.260   0.3692 0.1232000 0.5637000 
1 1 1  -27    5    4 o   37.190   0.1948   37.190   0.2753   37.190   0.2757 0.3883000E-02 0.3896000 
1 1 1  -27    5    5 o   19.430   0.1377   19.420   0.2101   19.430   0.1781 -0.1235000E-01 0.2754000 
1 1 1  -27    5    6 o   30.810   0.1817   30.640   0.2747   30.980   0.2378 -0.3471000 0.3634000 
1 1 1  -27    5    7 o   52.720   0.3838   54.770   0.5610   50.670   0.5238 4.101000 0.7676000 
1 1 1  -27    5    8 o   39.390   0.3559   39.330   0.4176   39.440   0.5763 -0.1074000 0.7117000 
1 1 1  -27    5    9 o   23.660   0.2439   23.780   0.2907   23.530   0.3917 0.2508000 0.4878000 
1 1 1  -27    5   10 o   7.0590   0.3092   7.1370   0.4439   6.9810   0.4305 0.1564000 0.6184000 
1 1 1  -27    5   11 o   64.180   0.3761   63.900   0.5302   64.460   0.5336 -0.5577000 0.7522000 
1 1 1  -27    5   12 o   64.660   0.3549   64.300   0.4616   65.020   0.5392 -0.7263000 0.7098000 
1 1 1  -27    5   13 o   55.000   0.3675   54.590   0.4598   55.400   0.5733 -0.8132000 0.7349000 
1 1 1  -27    5   14 f   4.0480   0.4970   4.4340   0.5800   3.6630   0.8073 0.7712000 0.9940000 
1 1 1  -27    5   15 o   34.610   0.2102   34.900   0.2776   34.330   0.3158 0.5688000 0.4204000 
1 1 1  -27    5   16 o   17.230   0.1743   17.360   0.2288   17.100   0.2629 0.2665000 0.3485000 
1 1 1  -27    5   17 o   55.180   0.3103   55.090   0.4054   55.270   0.4699 -0.1755000 0.6206000 
1 1 1  -27    5   18 o   51.470   0.2930   51.350   0.3827   51.590   0.4438 -0.2339000 0.5860000 
1 1 1  -27    5   19 o   33.830   0.2138   33.780   0.2799   33.870   0.3233 -0.8522000E-01 0.4277000 
1 1 1  -27    5   20 o   22.010   0.2221   22.270   0.2808   21.760   0.3442 0.5165000 0.4442000 
1 1 1  -27    5   21 o   24.390   0.1878   24.250   0.2478   24.530   0.2824 -0.2835000 0.3757000 
1 1 1  -27    5   22 o   10.920   0.2501   10.430   0.3659   11.400   0.3411 -0.9691000 0.5003000 
1 1 1  -27    5   23 o   10.690   0.2436   10.460   0.3346   10.920   0.3541 -0.4548000 0.4872000 
1 1 1  -27    5   24 o   22.080   0.1934   22.480   0.2567   21.680   0.2893 0.8006000 0.3868000 
1 1 1  -27    5   25 o   16.160   0.3009   16.590   0.3196   15.730   0.5099 0.8642000 0.6018000 
1 1 1  -27    5   26 o   7.6770   0.4151   7.7070   0.5445   7.6470   0.6267 0.6005000E-01 0.8302000 
1 1 1  -27    5   27 o   10.010   0.2757   10.280   0.3649   9.7490   0.4135 0.5310000 0.5514000 
1 1 1  -27    5   28 o   5.8230   0.4634   5.7710   0.6351   5.8740   0.6750 -0.1035000 0.9268000 
1 1 1  -27    5   29 o   10.080   0.2963   9.5750   0.4131   10.580   0.4248 -1.005000 0.5925000 
1 1 1  -27    5   30 o   3.4980   0.6649   2.4710   0.9770   4.5260   0.9022 -2.055000 1.330000 
1 1 1  -27    5   31 o   2.1500   0.6794   2.2810   1.0080   2.0180   0.9115 0.2630000 1.359000 
1 1 1  -27    5   32 o   6.3470   0.6596   5.6930   1.0600   7.0010   0.7853 -1.308000 1.319000 
1 1 1  -27    5   33 o   7.7630   0.4932   7.1950   0.8217   8.3300   0.5455 -1.135000 0.9864000 
1 1 1  -27    7    1 o   37.430   0.2172   37.540   0.3276   37.330   0.2852 0.2063000 0.4343000 
1 1 1  -27    7    2 o   21.280   0.1654   20.700   0.2252   21.850   0.2424 -1.152000 0.3308000 
1 1 1  -27    7    3 o   32.290   0.1797   32.120   0.2529   32.450   0.2553 -0.3318000 0.3593000 
1 1 1  -27    7    4 o   9.7510   0.2312   9.5510   0.3244   9.9500   0.3294 -0.3985000 0.4623000 
1 1 1  -27    7    5 o   18.170   0.1743   18.410   0.2742   17.930   0.2154 0.4747000 0.3487000 
1 1 1  -27    7    6 o   23.860   0.1726   24.130   0.2487   23.590   0.2393 0.5406000 0.3452000 
1 1 1  -27    7    7 o   31.150   0.1900   30.780   0.2863   31.510   0.2499 -0.7300000 0.3800000 
1 1 1  -27    7    8 o   54.500   0.3025   54.210   0.4560   54.790   0.3977 -0.5838000 0.6051000 
1 1 1  -27    7    9 o   57.080   0.4796   56.420   0.4737   57.740   0.8340 -1.323000 0.9592000 
1 1 1  -27    7   10 o   26.370   0.2623   26.340   0.2676   26.410   0.4512 -0.6613000E-01 0.5246000 
1 1 1  -27    7   11 o   22.360   0.2667   21.840   0.3148   22.880   0.4307 -1.040000 0.5335000 
1 1 1  -27    7   12 o   41.340   0.2893   41.550   0.3656   41.140   0.4484 0.4140000 0.5786000 
1 1 1  -27    7   13 o   24.040   0.1890   23.990   0.2691   24.090   0.2655 -0.1007000 0.3780000 
1 1 1  -27    7   14 o   35.550   0.2338   35.710   0.3334   35.400   0.3278 0.3161000 0.4676000 
1 1 1  -27    7   15 o   39.360   0.2526   39.600   0.3609   39.120   0.3536 0.4785000 0.5052000 
1 1 1  -27    7   16 o   25.610   0.2005   25.600   0.2850   25.620   0.2821 -0.1122000E-01 0.4010000 
1 1 1  -27    7   17 o   39.140   0.2360   39.210   0.3100   39.060   0.3560 0.1458000 0.4721000 
1 1 1  -27    7   18 o   24.490   0.2239   24.370   0.2781   24.600   0.3508 -0.2373000 0.4477000 
1 1 1  -27    7   19 o   23.110   0.2240   23.350   0.2798   22.860   0.3499 0.4937000 0.4481000 
1 1 1  -27    7   20 o   10.730   0.2441   11.120   0.3153   10.340   0.3726 0.7786000 0.4881000 
1 1 1  -27    7   21 f   11.810   0.2427   11.490   0.3493   12.130   0.3370 -0.6303000 0.4854000 
1 1 1  -27    7   22 o   7.7790   0.3161   7.7110   0.4215   7.8460   0.4713 -0.1354000 0.6322000 
1 1 1  -27    7   23 o   11.050   0.2781   10.620   0.3358   11.480   0.4433 -0.8676000 0.5562000 
1 1 1  -27    7   24 o   7.5840   0.4799   7.8100   0.5218   7.3580   0.8055 0.4515000 0.9597000 
1 1 1  -27    7   25 o   18.800   0.2003   19.010   0.2675   18.590   0.2982 0.4195000 0.4006000 
1 1 1  -27    7   26 o   8.7200   0.3642   8.7320   0.4630   8.7090   0.5622 0.2352000E-01 0.7283000 
1 1 1  -27    7   27 o   7.7900   0.3364   7.7830   0.4590   7.7980   0.4919 -0.1504000E-01 0.6728000 
1 1 1  -27    7   28 o   6.1790   0.4325   6.0850   0.5958   6.2720   0.6272 -0.1867000 0.8651000 
1 1 1  -27    7   29 o   13.660   0.2364   13.460   0.3224   13.850   0.3458 -0.3893000 0.4728000 
1 1 1  -27    7   30 o   4.5450   0.6037   3.9900   0.9285   5.1000   0.7719 -1.110000 1.207000 
1 1 1  -27    7   31 o   4.9300   0.5782   4.8680   0.7935   4.9920   0.8413 -0.1243000 1.156000 
1 1 1  -27    7   32 o   10.420   0.3753   10.350   0.4915   10.480   0.5674 -0.1356000 0.7506000 
1 1 1  -27    9    1 o   14.430   0.1675   14.060   0.2500   14.790   0.2231 -0.7297000 0.3351000 
1 1 1  -27    9    2 o   51.670   0.2689   51.970   0.3822   51.370   0.3785 0.5951000 0.5379000 
1 1 1  -27    9    3 o   30.510   0.1915   30.740   0.2887   30.280   0.2518 0.4606000 0.3831000 
1 1 1  -27    9    4 o   8.8220   0.2086   8.8560   0.2931   8.7870   0.2969 0.6915000E-01 0.4172000 
1 1 1  -27    9    5 o   39.840   0.2154   39.890   0.3045   39.790   0.3048 0.1032000 0.4308000 
1 1 1  -27    9    6 o   24.380   0.1747   24.550   0.2661   24.210   0.2265 0.3357000 0.3494000 
1 1 1  -27    9    7 o   55.970   0.3124   55.610   0.4705   56.320   0.4112 -0.7058000 0.6249000 
1 1 1  -27    9    8 o   40.530   0.2381   40.600   0.3611   40.470   0.3105 0.1318000 0.4762000 
1 1 1  -27    9    9 o   5.5070   0.3965   5.4340   0.6037   5.5790   0.5144 -0.1447000 0.7931000 
1 1 1  -27    9   10 o   29.310   0.2356   29.820   0.2978   28.790   0.3652 1.029000 0.4712000 
1 1 1  -27    9   11 o   7.8350   0.4489   7.8350   0.4489  ?   ?       ?      ? 
1 1 1  -27    9   12 o   32.040   0.3089   32.060   0.3139   32.020   0.5320 0.3351000E-01 0.6177000 
1 1 1  -27    9   13 o   34.080   0.2323   34.540   0.3272   33.630   0.3299 0.9099000 0.4646000 
1 1 1  -27    9   14 o   37.560   0.2467   37.370   0.3473   37.750   0.3505 -0.3819000 0.4934000 
1 1 1  -27    9   15 o   15.720   0.2148   15.650   0.3105   15.790   0.2969 -0.1336000 0.4296000 
1 1 1  -27    9   16 o   24.220   0.2277   24.520   0.3535   23.930   0.2872 0.5821000 0.4555000 
1 1 1  -27    9   17 o   25.600   0.3633  ?   ?    25.600   0.3633      ?      ? 
1 1 1  -27    9   18 o   20.780   0.2071   20.600   0.3000   20.950   0.2855 -0.3505000 0.4142000 
1 1 1  -27    9   19 o   16.710   0.2177   16.610   0.3188   16.800   0.2964 -0.1898000 0.4353000 
1 1 1  -27    9   20 o   12.610   0.2735   12.480   0.4253   12.740   0.3439 -0.2606000 0.5470000 
1 1 1  -27    9   21 o   5.2450   0.5903   4.4770   0.8882   6.0130   0.7776 -1.536000 1.181000 
1 1 1  -27    9   22 o   20.420   0.2860   20.670   0.3018   20.170   0.4860 0.4958000 0.5721000 
1 1 1  -27    9   23 f   12.640   0.2774   12.450   0.3760   12.820   0.4080 -0.3718000 0.5548000 
1 1 1  -27    9   24 o   10.800   0.2589   11.000   0.3420   10.600   0.3889 0.4009000 0.5179000 
1 1 1  -27    9   25 o   11.110   0.3092   10.930   0.3990   11.280   0.4725 -0.3490000 0.6184000 
1 1 1  -27    9   26 f   3.7270   0.6645   3.6110   0.9101   3.8420   0.9684 -0.2309000 1.329000 
1 1 1  -27    9   27 o   10.920   0.2694   10.700   0.3728   11.140   0.3890 -0.4383000 0.5388000 
1 1 1  -27    9   28 o   10.840   0.2701   10.930   0.3611   10.760   0.4017 0.1729000 0.5401000 
1 1 1  -27    9   29 o   5.8380   0.4755   6.3150   0.5910   5.3610   0.7450 0.9543000 0.9509000 
1 1 1  -27    9   30 o   3.8250   0.6916   3.8730   0.9488   3.7770   1.0070 0.9575000E-01 1.383000 
1 1 1  -27    9   31 o   3.2900   0.8182   3.0030   1.0990   3.5780   1.2120 -0.5745000 1.636000 
1 1 1  -27    9   32 f   2.9620   0.7413   3.1100   1.0440   2.8150   1.0530 0.2956000 1.483000 
1 1 1  -27   11    1 o   37.790   0.2290   37.710   0.3447   37.870   0.3015 -0.1617000 0.4579000 
1 1 1  -27   11    2 o   23.200   0.1687   23.220   0.2396   23.190   0.2376 0.2707000E-01 0.3374000 
1 1 1  -27   11    3 o   12.010   0.1949   11.930   0.2766   12.090   0.2746 -0.1571000 0.3898000 
1 1 1  -27   11    4 o   28.990   0.2343   28.290   0.3574   29.680   0.3031 -1.384000 0.4686000 
1 1 1  -27   11    5 o   19.510   0.2518   19.730   0.3584   19.280   0.3538 0.4431000 0.5036000 
1 1 1  -27   11    6 o   23.220   0.1831   23.380   0.2770   23.050   0.2396 0.3363000 0.3662000 
1 1 1  -27   11    7 o   35.960   0.2228   36.140   0.3391   35.770   0.2892 0.3684000 0.4457000 
1 1 1  -27   11    8 o   6.4970   0.3637   6.3100   0.5615   6.6830   0.4623 -0.3731000 0.7273000 
1 1 1  -27   11    9 o   23.770   0.1881   23.600   0.2853   23.940   0.2452 -0.3404000 0.3761000 
1 1 1  -27   11   10 o   12.030   0.2285   11.930   0.3436   12.130   0.3012 -0.1968000 0.4570000 
1 1 1  -27   11   11 o   22.200   0.2165   22.500   0.3522   21.900   0.2517 0.5968000 0.4329000 
1 1 1  -27   11   12 o   17.750   0.2996   17.750   0.2996  ?   ?       ?      ? 
1 1 1  -27   11   13 o   16.870   0.2990   16.280   0.3086   17.460   0.5122 -1.187000 0.5980000 
1 1 1  -27   11   14 o   49.730   0.4636   49.680   0.5350   49.780   0.7572 -0.1001000 0.9271000 
1 1 1  -27   11   15 o   4.8060   0.7431   4.5940   1.0470   5.0180   1.0550 -0.4239000 1.486000 
1 1 1  -27   11   16 o   30.900   0.2275   30.790   0.3220   31.020   0.3215 -0.2290000 0.4550000 
1 1 1  -27   11   17 o   16.630   0.2232   16.880   0.3178   16.390   0.3134 0.4911000 0.4463000 
1 1 1  -27   11   18 o   14.290   0.2385   14.140   0.3442   14.440   0.3303 -0.2972000 0.4770000 
1 1 1  -27   11   19 o   11.620   0.3014   11.610   0.4612   11.640   0.3880 -0.2732000E-01 0.6027000 
1 1 1  -27   11   20 o   12.320   0.2901   12.550   0.3724   12.090   0.4449 0.4568000 0.5802000 
1 1 1  -27   11   21 o   8.3950   0.5200   9.3450   0.6210   7.4460   0.8343 1.900000 1.040000 
1 1 1  -27   11   22 o   4.4130   0.6382   3.5300   1.0440   5.2960   0.7346 -1.766000 1.276000 
1 1 1  -27   11   23 o   21.410   0.2185   21.480   0.3139   21.340   0.3041 0.1370000 0.4370000 
1 1 1  -27   11   24 o   3.6870   0.7661   3.5060   1.0430   3.8680   1.1220 -0.3620000 1.532000 
1 1 1  -27   11   25 o   11.570   0.2815   10.970   0.4204   12.170   0.3745 -1.199000 0.5630000 
1 1 1  -27   11   26 o   4.6440   0.6051   5.3930   0.6849   3.8960   0.9979 1.497000 1.210000 
1 1 1  -27   11   27 o   8.3420   0.3379   8.4790   0.4483   8.2060   0.5057 0.2725000 0.6758000 
1 1 1  -27   11   28 o   9.2730   0.3171   8.6890   0.4514   9.8570   0.4455 -1.168000 0.6342000 
1 1 1  -27   11   29 o   4.9830   0.5883   5.4060   0.7188   4.5590   0.9315 0.8476000 1.177000 
1 1 1  -27   11   30 o   9.2180   0.4034   9.5680   0.4895   8.8680   0.6414 0.7001000 0.8069000 
1 1 1  -27   11   31 o   5.7430   0.5101   6.0250   0.6726   5.4610   0.7671 0.5643000 1.020000 
1 1 1  -27   13    1 o   28.710   0.1884   28.720   0.2669   28.700   0.2660 0.2019000E-01 0.3768000 
1 1 1  -27   13    2 o   18.550   0.1803   18.420   0.2525   18.680   0.2573 -0.2646000 0.3605000 
1 1 1  -27   13    3 o   23.290   0.1769   23.290   0.2488   23.290   0.2515 -0.1785000E-02 0.3537000 
1 1 1  -27   13    4 o   11.980   0.2147   11.730   0.3076   12.240   0.2995 -0.5068000 0.4294000 
1 1 1  -27   13    5 o   14.270   0.2160   14.340   0.3274   14.200   0.2818 0.1440000 0.4320000 
1 1 1  -27   13    6 o   11.190   0.2269   11.480   0.3125   10.900   0.3289 0.5780000 0.4537000 
1 1 1  -27   13    7 o   11.240   0.2515   11.410   0.3744   11.080   0.3359 0.3312000 0.5030000 
1 1 1  -27   13    8 o   16.180   0.2058   16.220   0.3098   16.130   0.2710 0.9722000E-01 0.4116000 
1 1 1  -27   13    9 o   4.0320   0.7412   4.3520   1.0540   3.7120   1.0430 0.6401000 1.482000 
1 1 1  -27   13   10 o   48.610   0.3397   48.230   0.5232   48.990   0.4335 -0.7608000 0.6794000 
1 1 1  -27   13   11 o   15.950   0.2515   16.110   0.3848   15.790   0.3240 0.3209000 0.5031000 
1 1 1  -27   13   12 o   11.870   0.2542   11.920   0.3856   11.830   0.3314 0.9535000E-01 0.5085000 
1 1 1  -27   13   13 o   8.4470   0.3643   8.5250   0.4958   8.3680   0.5338 0.1567000 0.7286000 
1 1 1  -27   13   14 o   21.270   0.3045   21.130   0.3015   21.400   0.5291 -0.2685000 0.6090000 
1 1 1  -27   13   15 o   15.040   0.3403   14.710   0.3488   15.370   0.5844 -0.6575000 0.6806000 
1 1 1  -27   13   16 o   11.030   0.2903   11.310   0.3988   10.760   0.4220 0.5548000 0.5806000 
1 1 1  -27   13   17 o   18.090   0.2481   17.760   0.3762   18.430   0.3235 -0.6685000 0.4961000 
1 1 1  -27   13   18 o   18.200   0.3810   19.010   0.5566   17.400   0.5205 1.614000 0.7620000 
1 1 1  -27   13   19 o   26.730   0.3282   27.290   0.3965   26.170   0.5232 1.116000 0.6565000 
1 1 1  -27   13   20 o   3.5720   0.6736   4.6010   0.8889   2.5420   1.0120 2.058000 1.347000 
1 1 1  -27   13   21 o   6.4430   0.4462   6.4580   0.6354   6.4270   0.6265 0.3081000E-01 0.8923000 
1 1 1  -27   13   22 o   7.1310   0.4133   6.6360   0.6219   7.6250   0.5446 -0.9885000 0.8266000 
1 1 1  -27   13   23 o   17.520   0.2583   17.140   0.3286   17.890   0.3986 -0.7520000 0.5166000 
1 1 1  -27   13   24 o   7.2760   0.4064   7.1480   0.5935   7.4030   0.5554 -0.2555000 0.8129000 
1 1 1  -27   13   25 o   13.870   0.2611   13.370   0.3794   14.380   0.3587 -1.011000 0.5221000 
1 1 1  -27   13   26 o   10.370   0.3167   10.240   0.4628   10.490   0.4324 -0.2492000 0.6334000 
1 1 1  -27   13   27 o   11.490   0.2997   11.390   0.4323   11.580   0.4153 -0.1930000 0.5995000 
1 1 1  -27   13   28 o   5.2300   0.7621   5.2090   1.0680   5.2510   1.0880 -0.4289000E-01 1.524000 
1 1 1  -27   13   29 o   11.960   0.2787   12.090   0.3778   11.830   0.4098 0.2577000 0.5574000 
1 1 1  -27   13   30 o   2.7670   0.7400   2.4090   1.0030   3.1250   1.0880 -0.7162000 1.480000 
1 1 1  -27   15    1 o   7.8600   0.3438   7.6130   0.5094   8.1080   0.4620 -0.4944000 0.6877000 
1 1 1  -27   15    2 o   12.170   0.2497   12.750   0.3565   11.580   0.3498 1.172000 0.4994000 
1 1 1  -27   15    3 o   12.900   0.2262   12.990   0.3198   12.820   0.3201 0.1686000 0.4525000 
1 1 1  -27   15    4 o   35.030   0.2119   35.180   0.2995   34.890   0.2998 0.2858000 0.4238000 
1 1 1  -27   15    5 o   13.470   0.2221   13.580   0.3097   13.360   0.3185 0.2156000 0.4442000 
1 1 1  -27   15    6 o   19.770   0.1865   19.490   0.2612   20.060   0.2662 -0.5736000 0.3729000 
1 1 1  -27   15    7 f   14.830   0.2279   15.450   0.3381   14.210   0.3057 1.242000 0.4558000 
1 1 1  -27   15    8 o   15.110   0.2274   15.140   0.3437   15.080   0.2977 0.5656000E-01 0.4548000 
1 1 1  -27   15    9 o   23.950   0.2049   24.010   0.3114   23.900   0.2665 0.1143000 0.4098000 
1 1 1  -27   15   10 o   5.0870   0.5703   5.4650   0.8181   4.7100   0.7947 0.7545000 1.141000 
1 1 1  -27   15   11 o   23.930   0.2044   24.000   0.3104   23.870   0.2660 0.1323000 0.4088000 
1 1 1  -27   15   12 o   12.800   0.2470   12.930   0.3719   12.670   0.3250 0.2585000 0.4939000 
1 1 1  -27   15   13 o   9.3910   0.3123   9.4720   0.4711   9.3090   0.4101 0.1633000 0.6246000 
1 1 1  -27   15   14 o   4.0010   0.7197   3.2830   1.0850   4.7190   0.9462 -1.435000 1.439000 
1 1 1  -27   15   15 o   13.620   0.6607   13.620   0.6607  ?   ?       ?      ? 
1 1 1  -27   15   16 o   6.9220   1.1570   6.9220   1.1570  ?   ?       ?      ? 
1 1 1  -27   15   17 o   4.0760   0.8552   3.6050   1.0660   4.5460   1.3370 -0.9411000 1.710000 
1 1 1  -27   15   18 o   11.210   0.2931   11.010   0.4138   11.410   0.4153 -0.3994000 0.5863000 
1 1 1  -27   15   19 o   9.2770   0.3362   9.5100   0.4547   9.0440   0.4953 0.4656000 0.6724000 
1 1 1  -27   15   20 o   7.6230   0.3980   6.8980   0.6115   8.3480   0.5095 -1.449000 0.7960000 
1 1 1  -27   15   21 o   7.3250   0.4653   7.6310   0.5650   7.0200   0.7395 0.6104000 0.9306000 
1 1 1  -27   15   22 o   5.3970   0.6105   5.5260   0.7751   5.2670   0.9433 0.2588000 1.221000 
1 1 1  -27   15   23 o   12.710   0.2740   13.030   0.3837   12.390   0.3913 0.6487000 0.5480000 
1 1 1  -27   15   24 o   16.420   0.2480   16.180   0.3583   16.650   0.3428 -0.4723000 0.4959000 
1 1 1  -27   15   25 o   14.750   0.2592   14.690   0.3761   14.810   0.3569 -0.1258000 0.5184000 
1 1 1  -27   15   26 o   3.5930   0.8029   3.2090   1.2100   3.9770   1.0550 -0.7672000 1.606000 
1 1 1  -27   15   27 f   3.8550   0.8688   3.5250   1.2150   4.1850   1.2420 -0.6599000 1.738000 
1 1 1  -27   15   28 o   2.9160   0.7135   3.8330   1.0970   1.9990   0.9124 1.835000 1.427000 
1 1 1  -27   15   29 o   7.4010   0.4394   6.8500   0.6860   7.9520   0.5494 -1.103000 0.8789000 
1 1 1  -27   17    1 o   6.7080   0.4091   6.3740   0.6091   7.0430   0.5462 -0.6690000 0.8181000 
1 1 1  -27   17    2 f   22.500   0.1943   22.430   0.2718   22.560   0.2778 -0.1258000 0.3886000 
1 1 1  -27   17    3 o   9.2040   0.2999   9.3490   0.4143   9.0600   0.4338 0.2896000 0.5998000 
1 1 1  -27   17    4 o   16.600   0.2024   16.470   0.2839   16.720   0.2886 -0.2552000 0.4048000 
1 1 1  -27   17    5 o   4.8940   0.5546   4.9540   0.7640   4.8340   0.8040 0.1201000 1.109000 
1 1 1  -27   17    6 o   11.380   0.2517   11.200   0.3536   11.560   0.3582 -0.3628000 0.5034000 
1 1 1  -27   17    7 o   11.810   0.2671   11.900   0.4019   11.710   0.3519 0.1813000 0.5342000 
1 1 1  -27   17    8 o   19.120   0.2122   19.270   0.3201   18.980   0.2788 0.2913000 0.4245000 
1 1 1  -27   17    9 o   11.800   0.2692   12.190   0.3995   11.400   0.3611 0.7934000 0.5385000 
1 1 1  -27   17   10 f   6.4500   0.8176   6.7530   1.3950   6.1480   0.8526 0.6051000 1.635000 
1 1 1  -27   17   11 o   18.940   0.3700   18.690   0.6303   19.190   0.3878 -0.5008000 0.7401000 
1 1 1  -27   17   12 o   9.7200   0.9012   9.7200   0.9012  ?   ?       ?      ? 
1 1 1  -27   17   13 o   12.450   0.3251   12.880   0.3860   12.020   0.5233 0.8621000 0.6503000 
1 1 1  -27   17   14 o   8.4720   0.4216   7.9440   0.5587   8.9990   0.6316 -1.055000 0.8433000 
1 1 1  -27   17   15 o   4.7050   0.6740   3.3390   1.0950   6.0700   0.7855 -2.732000 1.348000 
1 1 1  -27   17   16 o   15.960   0.2977   16.620   0.3396   15.300   0.4890 1.319000 0.5953000 
1 1 1  -27   17   17 f   3.1340   0.8626   2.9910   1.0720   3.2780   1.3510 -0.2864000 1.725000 
1 1 1  -27   17   18 f   9.2500   0.4995   9.4400   0.4881   9.0610   0.8716 0.3793000 0.9990000 
1 1 1  -27   17   19 o   12.100   0.3201   11.680   0.4207   12.520   0.4825 -0.8414000 0.6402000 
1 1 1  -27   17   20 o   8.3900   0.4392   9.0410   0.5094   7.7380   0.7156 1.303000 0.8784000 
1 1 1  -27   17   21 o   3.4220   0.7669   3.1230   1.0820   3.7210   1.0870 -0.5984000 1.534000 
1 1 1  -27   17   22 o   4.8330   0.6487   4.8820   0.9040   4.7840   0.9305 0.9841000E-01 1.297000 
1 1 1  -27   17   23 o   4.1740   0.7343   3.8880   1.0730   4.4600   1.0020 -0.5729000 1.469000 
1 1 1  -27   17   24 o   9.3930   0.4042   9.5560   0.6129   9.2310   0.5270 0.3246000 0.8083000 
1 1 1  -27   17   25 o   2.2810   0.7390   2.1300   0.9919   2.4320   1.0960 -0.3022000 1.478000 
1 1 1  -27   17   26 o   6.1460   0.5296   6.1400   0.7484   6.1530   0.7496 -0.1326000E-01 1.059000 
1 1 1  -27   17   27 o   6.9160   0.4764   7.0770   0.6697   6.7540   0.6776 0.3234000 0.9527000 
1 1 1  -27   19    1 o   5.5310   0.5242   5.0850   0.7992   5.9770   0.6785 -0.8920000 1.048000 
1 1 1  -27   19    2 o   8.2310   0.3433   8.2140   0.4786   8.2480   0.4924 -0.3406000E-01 0.6867000 
1 1 1  -27   19    3 o   2.5770   0.7109   2.4390   0.9810   2.7150   1.0290 -0.2762000 1.422000 
1 1 1  -27   19    4 o   10.290   0.2828   10.240   0.3980   10.350   0.4018 -0.1145000 0.5656000 
1 1 1  -27   19    5 o   9.1160   0.3083   9.4690   0.4142   8.7630   0.4566 0.7058000 0.6165000 
1 1 1  -27   19    6 o   6.7180   0.4032   6.7920   0.5595   6.6440   0.5807 0.1475000 0.8064000 
1 1 1  -27   19    7 o   9.3030   0.3024   9.0990   0.4347   9.5070   0.4206 -0.4080000 0.6049000 
1 1 1  -27   19    8 o   10.220   0.3167   9.8530   0.4923   10.580   0.3987 -0.7312000 0.6335000 
1 1 1  -27   19    9 o   3.9950   0.6845   4.9500   0.9090   3.0400   1.0240 1.910000 1.369000 
1 1 1  -27   19   10 o   12.810   0.2656   13.150   0.4027   12.480   0.3464 0.6734000 0.5312000 
1 1 1  -27   19   11 o   16.860   0.2808   16.720   0.3515   16.990   0.4380 -0.2644000 0.5616000 
1 1 1  -27   19   12 o   21.640   0.2622   21.660   0.3295   21.620   0.4081 0.3656000E-01 0.5245000 
1 1 1  -27   19   13 o   14.900   0.2443   14.560   0.3749   15.240   0.3132 -0.6845000 0.4885000 
1 1 1  -27   19   14 f   15.220   0.2368   15.190   0.3570   15.250   0.3111 -0.5341000E-01 0.4735000 
1 1 1  -27   19   15 o   11.760   0.2765   11.220   0.4313   12.310   0.3461 -1.089000 0.5530000 
1 1 1  -27   19   16 o   7.5590   0.4177   7.6110   0.5961   7.5070   0.5852 0.1041000 0.8353000 
1 1 1  -27   19   17 o   11.260   0.3101   11.520   0.4298   11.000   0.4472 0.5264000 0.6202000 
1 1 1  -27   19   18 f   11.510   0.4815   12.330   0.4072   10.690   0.8726 1.648000 0.9629000 
1 1 1  -27   19   19 o   7.0610   0.6842   7.1120   0.6365   7.0100   1.2110 0.1026000 1.368000 
1 1 1  -27   19   20 o   6.0510   0.5299   5.7760   0.7829   6.3260   0.7143 -0.5496000 1.060000 
1 1 1  -27   19   21 o   12.040   0.2984   11.790   0.4332   12.280   0.4106 -0.4817000 0.5968000 
1 1 1  -27   19   22 o   11.160   0.4126   11.680   0.5325   10.650   0.6304 1.024000 0.8252000 
1 1 1  -27   19   23 o   7.5440   0.5589   8.1920   0.5925   6.8960   0.9478 1.296000 1.118000 
1 1 1  -27   19   24 o   4.0860   0.7762   3.9310   1.1040   4.2410   1.0920 -0.3105000 1.552000 
1 1 1  -27   19   25 o   6.9270   0.5083   7.4110   0.6639   6.4420   0.7700 0.9683000 1.017000 
1 1 1  -27   19   26 o   1.9250   0.6415   2.1720   0.9865   1.6780   0.8202 0.4947000 1.283000 
1 1 1  -27   21    1 o   3.7430   0.6660   4.7860   0.8428   2.6990   1.0310 2.087000 1.332000 
1 1 1  -27   21    2 o   3.6190   0.6713   4.5640   0.8653   2.6730   1.0270 1.891000 1.343000 
1 1 1  -27   21    3 o   8.1180   0.3501   8.1760   0.4812   8.0590   0.5086 0.1171000 0.7001000 
1 1 1  -27   21    4 o   7.0310   0.4050   7.3100   0.5337   6.7520   0.6094 0.5577000 0.8101000 
1 1 1  -27   21    5 o   21.840   0.2035   21.930   0.2853   21.740   0.2903 0.1871000 0.4070000 
1 1 1  -27   21    6 o   8.2770   0.3452   8.2790   0.4821   8.2760   0.4943 0.3314000E-02 0.6905000 
1 1 1  -27   21    7 f   13.180   0.2410   13.030   0.3362   13.320   0.3454 -0.2844000 0.4820000 
1 1 1  -27   21    8 f   9.1570   0.3740   9.2650   0.5164   9.0500   0.5412 0.2152000 0.7480000 
1 1 1  -27   21    9 o   8.5410   0.4487   8.2880   0.5676   8.7950   0.6950 -0.5069000 0.8973000 
1 1 1  -27   21   10 o   13.980   0.3131   13.940   0.3986   14.010   0.4829 -0.6530000E-01 0.6262000 
1 1 1  -27   21   11 o   2.3270   0.7080   2.0960   0.9550   2.5590   1.0460 -0.4635000 1.416000 
1 1 1  -27   21   12 o   6.6310   0.5057   7.6990   0.6093   5.5630   0.8074 2.136000 1.011000 
1 1 1  -27   21   13 o   4.0640   0.6807   2.7010   1.0780   5.4270   0.8320 -2.726000 1.361000 
1 1 1  -27   21   14 o   8.9320   0.3471   9.4500   0.5051   8.4140   0.4761 1.036000 0.6942000 
1 1 1  -27   21   15 o   11.140   0.2990   10.660   0.4636   11.610   0.3777 -0.9518000 0.5980000 
1 1 1  -27   21   16 o   7.8020   0.3893   8.1470   0.5601   7.4560   0.5408 0.6908000 0.7786000 
1 1 1  -27   21   17 o   11.520   0.2899   11.470   0.4337   11.580   0.3848 -0.1061000 0.5798000 
1 1 1  -27   21   18 o   9.1900   0.3549   9.2380   0.5247   9.1420   0.4780 0.9640000E-01 0.7098000 
1 1 1  -27   21   19 o   2.9380   0.8395   2.8320   1.1530   3.0440   1.2200 -0.2118000 1.679000 
1 1 1  -27   21   20 f   6.2130   0.8453   7.1050   0.8128   5.3210   1.4820 1.784000 1.691000 
1 1 1  -27   21   21 o   7.7790   0.4358   7.7110   0.6167   7.8470   0.6158 -0.1354000 0.8716000 
1 1 1  -27   21   22 f   1.8770   0.6282   1.9170   0.9015   1.8360   0.8752 0.8109000E-01 1.256000 
1 1 1  -27   21   23 o   2.0080   0.6569   1.8500   0.8824   2.1670   0.9733 -0.3170000 1.314000 
1 1 1  -27   21   24 o   2.2670   0.7115   2.4120   1.0510   2.1220   0.9591 0.2899000 1.423000 
1 1 1  -27   23    1 o   6.1470   0.4809   6.0780   0.6856   6.2170   0.6744 -0.1382000 0.9617000 
1 1 1  -27   23    2 o   4.8960   0.5962   4.7260   0.8656   5.0660   0.8201 -0.3406000 1.192000 
1 1 1  -27   23    3 o   7.7610   0.3802   7.7140   0.5333   7.8080   0.5419 -0.9423000E-01 0.7603000 
1 1 1  -27   23    4 o   5.6650   0.5084   5.7660   0.6913   5.5650   0.7455 0.2006000 1.017000 
1 1 1  -27   23    5 o   2.7270   0.7507   2.4290   0.9893   3.0250   1.1290 -0.5959000 1.501000 
1 1 1  -27   23    6 o   7.1570   0.5021   6.3420   0.6247   7.9710   0.7863 -1.629000 1.004000 
1 1 1  -27   23    7 o   7.8450   0.5030   8.5680   0.4780   7.1220   0.8851 1.447000 1.006000 
1 1 1  -27   23    8 o   13.490   0.2671   13.730   0.3974   13.240   0.3570 0.4926000 0.5342000 
1 1 1  -27   23    9 o   3.2610   0.7566   2.9370   1.1120   3.5850   1.0260 -0.6473000 1.513000 
1 1 1  -27   23   10 o   2.7530   0.7244   2.2730   1.0020   3.2340   1.0470 -0.9615000 1.449000 
1 1 1  -27   23   11 o   5.4740   0.5825   5.2000   0.9284   5.7480   0.7038 -0.5484000 1.165000 
1 1 1  -27   23   12 o   5.1250   0.6381   3.7920   1.1210   6.4570   0.6098 -2.665000 1.276000 
1 1 1  -27   23   13 o   5.9190   0.5215   5.7420   0.8023   6.0950   0.6663 -0.3531000 1.043000 
1 1 1  -27   23   14 o   8.0210   0.4810   7.8030   0.7310   8.2390   0.6256 -0.4365000 0.9621000 
1 1 1  -27   23   15 o   3.4250   0.8361   3.4840   1.2210   3.3660   1.1430 0.1182000 1.672000 
1 1 1  -27   23   16 o   6.5740   0.5674   6.2630   0.8897   6.8840   0.7046 -0.6210000 1.135000 
1 1 1  -27   23   17 o   2.4400   0.7176   2.6330   1.0690   2.2460   0.9572 0.3869000 1.435000 
1 1 1  -27   23   18 o   2.8450   0.7611   2.7510   1.0890   2.9390   1.0640 -0.1875000 1.522000 
1 1 1  -27   23   19 o   8.6430   0.3880   8.4330   0.5749   8.8530   0.5212 -0.4203000 0.7759000 
1 1 1  -27   23   20 o   2.0740   0.6946   1.8940   0.8997   2.2540   1.0590 -0.3606000 1.389000 
1 1 1  -27   23   21 o   5.1820   0.7562   5.8420   0.8244   4.5230   1.2680 1.318000 1.512000 
1 1 1  -27   25    1 o   8.0840   0.4321   8.1840   0.5911   7.9840   0.6304 0.1996000 0.8642000 
1 1 1  -27   25    2 o   8.5580   0.4743   9.3070   0.5332   7.8090   0.7847 1.498000 0.9487000 
1 1 1  -27   25    3 o   3.5960   0.7707   4.7560   1.0050   2.4350   1.1690 2.320000 1.541000 
1 1 1  -27   25    4 o   7.0090   0.7184   6.6870   0.6966   7.3300   1.2570 -0.6431000 1.437000 
1 1 1  -27   25    5 o   2.7320   0.7733   2.7130   1.0800   2.7510   1.1070 -0.3782000E-01 1.547000 
1 1 1  -27   25    6 o   5.5270   0.6113   5.0150   0.9224   6.0390   0.8023 -1.024000 1.223000 
1 1 1  -27   25    7 o   4.3260   0.7377   4.5680   0.9923   4.0830   1.0920 0.4854000 1.475000 
1 1 1  -27   25    8 o   4.8040   0.7492   4.4820   1.1740   5.1260   0.9308 -0.6446000 1.498000 
1 1 1  -27   25    9 o   3.9350   0.8268   3.8290   1.2200   4.0410   1.1160 -0.2124000 1.654000 
1 1 1  -27   25   10 o   3.5380   0.7776   3.7900   1.1350   3.2850   1.0630 0.5049000 1.555000 
1 1 1  -27   25   11 o   2.7960   0.7504   2.5090   1.0670   3.0840   1.0560 -0.5750000 1.501000 
1 1 1  -27   25   12 o   4.8000   0.6774   4.7250   1.0560   4.8740   0.8484 -0.1483000 1.355000 
1 1 1  -27   25   13 o   7.6130   0.4200   7.7430   0.6276   7.4830   0.5584 0.2598000 0.8400000 
1 1 1  -27   25   14 o   3.4150   0.7676   3.1450   1.1360   3.6840   1.0330 -0.5394000 1.535000 
1 1 1  -27   25   15 o   3.2870   0.7844   3.5180   1.1460   3.0550   1.0720 0.4638000 1.569000 
1 1 1  -27   25   16 o   5.7770   0.5821   5.2370   0.9521   6.3170   0.6701 -1.080000 1.164000 
1 1 1  -27   25   17 o   2.6710   0.7482   3.0510   1.1290   2.2910   0.9818 0.7608000 1.496000 
1 1 1  -27   25   18 o   3.3460   0.7416   2.6500   1.0910   4.0430   1.0050 -1.393000 1.483000 
1 1 1  -27   27    1 o   4.2790   0.7946   5.1020   0.8648   3.4570   1.3330 1.645000 1.589000 
1 1 1  -27   27    2 o   3.1300   0.7445   2.4960   1.0310   3.7650   1.0750 -1.269000 1.489000 
1 1 1  -27   27    3 o   5.3380   0.5923   4.8560   0.9196   5.8190   0.7468 -0.9627000 1.185000 
1 1 1  -27   27    4 o   2.1120   0.6654   2.1990   0.9655   2.0250   0.9159 0.1739000 1.331000 
1 1 1  -27   27    5 o   3.1410   0.7269   2.4600   1.0210   3.8210   1.0350 -1.361000 1.454000 
1 1 1  -27   27    6 o   3.5250   0.7621   3.6720   1.0750   3.3790   1.0800 0.2923000 1.524000 
1 1 1  -27   27    7 o   2.6880   0.7357   2.9290   1.0720   2.4470   1.0070 0.4813000 1.471000 
1 1 1  -27   27    8 o   1.9360   0.6429   2.1070   0.9762   1.7640   0.8369 0.3432000 1.286000 
1 1 1  -27   27    9 o   2.5040   0.6775   1.7180   0.8371   3.2900   1.0660 -1.573000 1.355000 
1 1 1  -27   27   10 o   2.8730   0.7704   2.6820   1.1070   3.0630   1.0720 -0.3811000 1.541000 
1 1 1  -27   27   11 o   2.6590   0.7244   2.1250   0.9825   3.1940   1.0650 -1.069000 1.449000 
1 1 1  -27   27   12 o   2.8880   0.7644   3.4750   1.1710   2.3010   0.9827 1.174000 1.529000 
1 1 1  -27   27   13 o   1.7000   0.5834   1.8670   0.8924   1.5330   0.7516 0.3334000 1.167000 
1 1 1  -27   27   14 o   2.1780   0.7124   2.3200   1.0720   2.0350   0.9385 0.2843000 1.425000 
1 1 1  -27   29    1 o   2.0890   0.6822   1.6980   0.8488   2.4790   1.0680 -0.7815000 1.364000 
1 1 1  -27   29    2 o   2.6440   0.8174   2.2110   1.0450   3.0780   1.2570 -0.8669000 1.635000 
1 1 1  -27   29    3 o   2.4480   0.7880   2.3420   1.0870   2.5540   1.1410 -0.2112000 1.576000 
1 1 1  -27   29    4 o   2.2120   0.7368   2.4130   1.1080   2.0110   0.9712 0.4015000 1.474000 
1 1 1  -27   29    5 o   2.7030   0.8149   3.3330   1.2930   2.0730   0.9921 1.260000 1.630000 
1 1 1  -27   29    6 o   2.8970   1.3260  ?   ?    2.8970   1.3260      ?      ? 
1 1 1  -26    0    1 o   11.030   0.3189   11.030   0.3189   11.030   0.3189 -0.000000 0.000000 
1 1 1  -26    0    2 o   9.5280   0.2272   9.5280   0.2272   9.5280   0.2272 -0.000000 0.000000 
1 1 1  -26    0    3 o   33.450   0.2805   33.450   0.2805   33.450   0.2805 -0.000000 0.000000 
1 1 1  -26    0    4 o   24.820   0.2630   24.820   0.2630   24.820   0.2630 -0.000000 0.000000 
1 1 1  -26    0    5 o   45.250   0.4560   45.250   0.4560   45.250   0.4560 -0.000000 0.000000 
1 1 1  -26    0    6 o   58.450   0.5858   58.450   0.5858   58.450   0.5858 -0.000000 0.000000 
1 1 1  -26    0    7 o   43.120   0.4362   43.120   0.4362   43.120   0.4362 -0.000000 0.000000 
1 1 1  -26    0    8 o   85.740   0.8582   85.740   0.8582   85.740   0.8582 -0.000000 0.000000 
1 1 1  -26    0    9 o   47.650   0.3413   47.650   0.3413   47.650   0.3413 -0.000000 0.000000 
1 1 1  -26    0   10 o   41.390   0.3007   41.390   0.3007   41.390   0.3007 -0.000000 0.000000 
1 1 1  -26    0   11 o   40.220   0.2952   40.220   0.2952   40.220   0.2952 -0.000000 0.000000 
1 1 1  -26    0   12 o   39.770   0.2940   39.770   0.2940   39.770   0.2940 -0.000000 0.000000 
1 1 1  -26    0   13 o   11.770   0.3042   11.770   0.3042   11.770   0.3042 -0.000000 0.000000 
1 1 1  -26    0   14 o   58.550   0.4216   58.550   0.4216   58.550   0.4216 -0.000000 0.000000 
1 1 1  -26    0   15 o   36.920   0.2837   36.920   0.2837   36.920   0.2837 -0.000000 0.000000 
1 1 1  -26    0   16 o   7.3950   0.3588   7.3950   0.3588   7.3950   0.3588 -0.000000 0.000000 
1 1 1  -26    0   17 o   5.1410   0.5390   5.1410   0.5390   5.1410   0.5390 -0.000000 0.000000 
1 1 1  -26    0   18 o   16.960   0.2343   16.960   0.2343   16.960   0.2343 -0.000000 0.000000 
1 1 1  -26    0   19 o   44.530   0.3385   44.530   0.3385   44.530   0.3385 -0.000000 0.000000 
1 1 1  -26    0   20 o   13.410   0.2681   13.410   0.2681   13.410   0.2681 -0.000000 0.000000 
1 1 1  -26    0   21 o   3.2000   1.2940   3.2000   1.2940   3.2000   1.2940 -0.000000 0.000000 
1 1 1  -26    0   22 o   30.350   0.3122   30.350   0.3122   30.350   0.3122 -0.000000 0.000000 
1 1 1  -26    0   23 o   14.960   0.2692   14.960   0.2692   14.960   0.2692 -0.000000 0.000000 
1 1 1  -26    0   24 o   1.8160   1.0510   1.8160   1.0510   1.8160   1.0510 -0.000000 0.000000 
1 1 1  -26    0   25 o   10.740   0.3317   10.740   0.3317   10.740   0.3317 -0.000000 0.000000 
1 1 1  -26    0   26 o   28.110   0.3852   28.110   0.3852   28.110   0.3852 -0.000000 0.000000 
1 1 1  -26    0   27 o   9.9920   0.3619   9.9920   0.3619   9.9920   0.3619 -0.000000 0.000000 
1 1 1  -26    0   28 o   4.2240   0.8920   4.2240   0.8920   4.2240   0.8920 -0.000000 0.000000 
1 1 1  -26    0   29 o   11.570   0.3511   11.570   0.3511   11.570   0.3511 -0.000000 0.000000 
1 1 1  -26    0   30 o   5.4840   1.1250   5.4840   1.1250   5.4840   1.1250 -0.000000 0.000000 
1 1 1  -26    0   31 o   1.8800   1.2070   1.8800   1.2070   1.8800   1.2070 -0.000000 0.000000 
1 1 1  -26    0   32 o   6.9470   0.6199   6.9470   0.6199   6.9470   0.6199 -0.000000 0.000000 
1 1 1  -26    0   33 o   1.5970   1.0820   1.5970   1.0820   1.5970   1.0820 -0.000000 0.000000 
1 1 1  -26    2    1 f   10.720   0.1430   10.670   0.2245   10.770   0.1773 -0.9816000E-01 0.2861000 
1 1 1  -26    2    2 o   14.800   0.1539   14.740   0.2611   14.850   0.1629 -0.1139000 0.3077000 
1 1 1  -26    2    3 o   21.730   0.1956  ?   ?    21.730   0.1956      ?      ? 
1 1 1  -26    2    4 o   13.660   0.2327   13.740   0.3093   13.590   0.3478 0.1528000 0.4654000 
1 1 1  -26    2    5 o   57.910   0.5872   58.310   0.8354   57.510   0.8253 0.7995000 1.174000 
1 1 1  -26    2    6 o   51.660   0.4537   51.220   0.7374   52.100   0.5287 -0.8758000 0.9074000 
1 1 1  -26    2    7 o   7.8340   0.1606   8.3140   0.1844   7.3540   0.2629 0.9603000 0.3211000 
1 1 1  -26    2    8 o   31.880   0.2598   32.100   0.2381   31.660   0.4619 0.4388000 0.5196000 
1 1 1  -26    2    9 o   32.790   0.2794   32.780   0.2827   32.810   0.4821 -0.3816000E-01 0.5589000 
1 1 1  -26    2   10 o   17.980   0.1323   18.170   0.1734   17.800   0.1998 0.3690000 0.2645000 
1 1 1  -26    2   11 o   45.960   0.2553   45.910   0.3336   46.000   0.3866 -0.8674000E-01 0.5106000 
1 1 1  -26    2   12 o   44.620   0.2980   44.420   0.3752   44.820   0.4631 -0.3921000 0.5960000 
1 1 1  -26    2   13 o   64.450   0.4211   64.740   0.5351   64.160   0.6503 0.5814000 0.8421000 
1 1 1  -26    2   14 o   38.120   0.2905   37.710   0.4067   38.540   0.4149 -0.8302000 0.5810000 
1 1 1  -26    2   15 o   11.450   0.2028   12.140   0.2790   10.750   0.2945 1.390000 0.4056000 
1 1 1  -26    2   16 o   23.720   0.1711   23.540   0.2242   23.900   0.2584 -0.3623000 0.3421000 
1 1 1  -26    2   17 o   14.090   0.1835   13.760   0.2508   14.420   0.2681 -0.6647000 0.3671000 
1 1 1  -26    2   18 o   33.110   0.2066   33.340   0.2727   32.890   0.3105 0.4480000 0.4133000 
1 1 1  -26    2   19 o   10.260   0.2345   9.9310   0.3219   10.580   0.3411 -0.6508000 0.4690000 
1 1 1  -26    2   20 o   6.9630   0.3475   7.7980   0.3981   6.1280   0.5696 1.670000 0.6949000 
1 1 1  -26    2   21 o   14.680   0.2382   15.030   0.2949   14.340   0.3741 0.6916000 0.4764000 
1 1 1  -26    2   22 o   27.230   0.2087   27.080   0.2952   27.380   0.2950 -0.3021000 0.4174000 
1 1 1  -26    2   23 o   19.210   0.1889   19.190   0.2488   19.240   0.2844 -0.5149000E-01 0.3778000 
1 1 1  -26    2   24 o   16.760   0.1982   16.460   0.2625   17.060   0.2969 -0.6040000 0.3964000 
1 1 1  -26    2   25 o   7.5340   0.3393   7.6300   0.4444   7.4370   0.5128 0.1932000 0.6785000 
1 1 1  -26    2   26 o   2.8680   0.8064   2.0390   0.9519   3.6970   1.3020 -1.658000 1.613000 
1 1 1  -26    2   27 o   20.860   0.2007   20.880   0.2648   20.840   0.3017 0.3279000E-01 0.4015000 
1 1 1  -26    2   28 o   4.9580   0.5689   6.0820   0.5605   3.8340   0.9903 2.248000 1.138000 
1 1 1  -26    2   29 o   2.4250   0.7150   2.3310   0.9411   2.5180   1.0770 -0.1867000 1.430000 
1 1 1  -26    2   30 o   5.8000   0.5088   6.6690   0.5563   4.9320   0.8521 1.737000 1.018000 
1 1 1  -26    2   31 o   11.330   0.3064   10.510   0.4763   12.150   0.3856 -1.637000 0.6128000 
1 1 1  -26    2   32 o   4.9950   0.6862   5.2910   1.0500   4.6980   0.8842 0.5937000 1.372000 
1 1 1  -26    2   33 o   2.6880   0.7943   3.0880   1.2020   2.2890   1.0380 0.7992000 1.589000 
1 1 1  -26    4    1 o   49.580   0.4199   49.860   0.7315   49.290   0.4125 0.5725000 0.8398000 
1 1 1  -26    4    2 o   39.550   0.3350   40.460   0.6070   38.640   0.2838 1.820000 0.6701000 
1 1 1  -26    4    3 o   20.260   0.2112   20.240   0.3848   20.290   0.1744 -0.4632000E-01 0.4225000 
1 1 1  -26    4    4 o   36.020   0.2031   35.760   0.3061   36.280   0.2670 -0.5198000 0.4062000 
1 1 1  -26    4    5 o   19.080   0.1294   18.900   0.1967   19.260   0.1682 -0.3567000 0.2588000 
1 1 1  -26    4    6 o   27.480   0.1638   27.770   0.2510   27.190   0.2106 0.5750000 0.3276000 
1 1 1  -26    4    7 o   31.380   0.1956   31.350   0.2768   31.420   0.2765 -0.6921000E-01 0.3912000 
1 1 1  -26    4    8 o   14.920   0.1654   14.990   0.2651   14.850   0.1979 0.1387000 0.3309000 
1 1 1  -26    4    9 o   23.920   0.2176   23.580   0.1992   24.260   0.3870 -0.6769000 0.4353000 
1 1 1  -26    4   10 o   29.280   0.2619   29.170   0.2640   29.400   0.4525 -0.2358000 0.5239000 
1 1 1  -26    4   11 o   32.480   0.2887   32.410   0.2890   32.550   0.4998 -0.1437000 0.5774000 
1 1 1  -26    4   12 o   91.090   0.4927   91.270   0.6461   90.910   0.7441 0.3558000 0.9855000 
1 1 1  -26    4   13 o   24.600   0.2025   24.480   0.2547   24.710   0.3149 -0.2278000 0.4050000 
1 1 1  -26    4   14 o   45.340   0.2578   45.300   0.3369   45.370   0.3902 -0.7743000E-01 0.5155000 
1 1 1  -26    4   15 o   20.720   0.1958   21.680   0.2567   19.760   0.2957 1.911000 0.3916000 
1 1 1  -26    4   16 o   60.490   0.3355   60.750   0.4411   60.240   0.5057 0.5067000 0.6710000 
1 1 1  -26    4   17 o   14.800   0.1860   15.030   0.2452   14.570   0.2798 0.4638000 0.3720000 
1 1 1  -26    4   18 o   11.520   0.2171   11.740   0.2875   11.300   0.3254 0.4388000 0.4342000 
1 1 1  -26    4   19 o   12.260   0.2123   12.380   0.2833   12.130   0.3163 0.2511000 0.4246000 
1 1 1  -26    4   20 o   21.020   0.2200   21.070   0.2795   20.960   0.3398 0.1102000 0.4400000 
1 1 1  -26    4   21 o   32.140   0.2109   31.970   0.2770   32.300   0.3181 -0.3310000 0.4218000 
1 1 1  -26    4   22 o   22.250   0.2006   22.110   0.2864   22.380   0.2809 -0.2735000 0.4011000 
1 1 1  -26    4   23 o   14.480   0.2069   14.460   0.2782   14.510   0.3062 -0.5623000E-01 0.4138000 
1 1 1  -26    4   24 o   10.190   0.2570   10.150   0.3461   10.220   0.3800 -0.6684000E-01 0.5140000 
1 1 1  -26    4   25 o   20.030   0.2320   20.220   0.3041   19.840   0.3504 0.3856000 0.4640000 
1 1 1  -26    4   26 o   6.4500   0.5276   7.3930   0.5465   5.5070   0.9028 1.886000 1.055000 
1 1 1  -26    4   27 o   6.7510   0.4503   6.8040   0.5126   6.6990   0.7405 0.1058000 0.9006000 
1 1 1  -26    4   28 o   9.5100   0.3449   9.1580   0.4174   9.8620   0.5492 -0.7040000 0.6898000 
1 1 1  -26    4   29 o   4.4310   0.6105   4.3590   0.8350   4.5030   0.8910 -0.1444000 1.221000 
1 1 1  -26    4   30 o   8.0130   0.3538   7.8020   0.4796   8.2240   0.5201 -0.4223000 0.7075000 
1 1 1  -26    4   31 o   5.0780   0.5624   5.6780   0.6738   4.4780   0.9006 1.200000 1.125000 
1 1 1  -26    4   32 o   3.5530   0.8175   4.0500   1.2330   3.0560   1.0740 0.9942000 1.635000 
1 1 1  -26    4   33 o   8.6790   0.6948   7.0700   1.2580   10.290   0.5896 -3.217000 1.390000 
1 1 1  -26    6    1 o   17.440   0.2484   17.590   0.4356   17.290   0.2391 0.2948000 0.4969000 
1 1 1  -26    6    2 o   22.370   0.1721   22.170   0.2615   22.580   0.2237 -0.4065000 0.3442000 
1 1 1  -26    6    3 o   21.840   0.1826   21.400   0.2789   22.280   0.2358 -0.8835000 0.3652000 
1 1 1  -26    6    4 o   3.3880   0.4838   3.5190   0.6513   3.2570   0.7158 0.2621000 0.9677000 
1 1 1  -26    6    5 o   39.600   0.2971   39.280   0.4216   39.930   0.4188 -0.6475000 0.5943000 
1 1 1  -26    6    6 o   17.780   0.2352   18.050   0.3913   17.510   0.2610 0.5413000 0.4703000 
1 1 1  -26    6    7 o   29.460   0.2131   28.890   0.3287   30.030   0.2712 -1.148000 0.4261000 
1 1 1  -26    6    8 o   4.2570   0.5017   4.8780   0.6240   3.6360   0.7858 1.242000 1.003000 
1 1 1  -26    6    9 o   6.6730   0.2846   6.9420   0.4020   6.4050   0.4028 0.5363000 0.5691000 
1 1 1  -26    6   10 o   32.500   0.2360   33.220   0.3030   31.780   0.3620 1.441000 0.4721000 
1 1 1  -26    6   11 o   65.890   0.5474   65.740   0.5462   66.040   0.9489 -0.3002000 1.095000 
1 1 1  -26    6   12 o   36.610   0.3302   36.610   0.3302  ?   ?       ?      ? 
1 1 1  -26    6   13 o   8.0630   0.3226   8.1420   0.4017   7.9830   0.5049 0.1593000 0.6452000 
1 1 1  -26    6   14 o   26.980   0.1961   26.910   0.2774   27.040   0.2774 -0.1287000 0.3923000 
1 1 1  -26    6   15 o   13.950   0.1886   13.830   0.2485   14.080   0.2839 -0.2492000 0.3773000 
1 1 1  -26    6   16 o   18.590   0.1782   18.870   0.2321   18.320   0.2706 0.5592000 0.3565000 
1 1 1  -26    6   17 o   38.180   0.2310   38.250   0.3029   38.120   0.3489 0.1323000 0.4620000 
1 1 1  -26    6   18 o   37.720   0.2300   38.040   0.3034   37.410   0.3458 0.6299000 0.4601000 
1 1 1  -26    6   19 o   17.080   0.2851   17.080   0.2851  ?   ?       ?      ? 
1 1 1  -26    6   20 o   6.3240   0.3904   6.9260   0.4680   5.7220   0.6249 1.204000 0.7807000 
1 1 1  -26    6   21 o   12.910   0.2283   13.280   0.3180   12.540   0.3276 0.7413000 0.4566000 
1 1 1  -26    6   22 o   18.650   0.1907   18.900   0.2523   18.400   0.2860 0.4953000 0.3814000 
1 1 1  -26    6   23 o   10.550   0.2499   10.280   0.3385   10.820   0.3676 -0.5427000 0.4997000 
1 1 1  -26    6   24 o   9.4870   0.3254   9.9280   0.4252   9.0450   0.4927 0.8836000 0.6508000 
1 1 1  -26    6   25 o   7.8280   0.3373   7.8800   0.4487   7.7750   0.5037 0.1046000 0.6746000 
1 1 1  -26    6   26 o   2.4780   0.7129   2.6190   1.0120   2.3370   1.0040 0.2818000 1.426000 
1 1 1  -26    6   27 f   13.090   0.2375   13.440   0.3127   12.740   0.3576 0.7025000 0.4750000 
1 1 1  -26    6   28 o   4.0620   0.6444   3.7220   0.9529   4.4010   0.8679 -0.6793000 1.289000 
1 1 1  -26    6   29 o   5.4990   0.5344   6.4750   0.5708   4.5230   0.9036 1.952000 1.069000 
1 1 1  -26    6   30 o   14.480   0.2388   14.310   0.3221   14.650   0.3527 -0.3403000 0.4776000 
1 1 1  -26    6   31 o   3.6560   0.6900   2.8940   1.0320   4.4190   0.9163 -1.525000 1.380000 
1 1 1  -26    6   32 o   2.5800   0.7695   2.3300   1.0150   2.8290   1.1560 -0.4995000 1.539000 
1 1 1  -26    6   33 f   2.4060   0.7230   2.3400   1.0190   2.4720   1.0260 -0.1313000 1.446000 
1 1 1  -26    8    1 o   28.210   0.1800   28.250   0.2703   28.180   0.2379 0.6761000E-01 0.3601000 
1 1 1  -26    8    2 o   47.880   0.2497   47.790   0.3525   47.960   0.3538 -0.1683000 0.4995000 
1 1 1  -26    8    3 o   34.250   0.2041   34.330   0.3075   34.160   0.2686 0.1738000 0.4082000 
1 1 1  -26    8    4 o   27.240   0.1743   27.160   0.2609   27.330   0.2311 -0.1685000 0.3486000 
1 1 1  -26    8    5 o   9.9450   0.1755   10.080   0.2421   9.8140   0.2542 0.2617000 0.3510000 
1 1 1  -26    8    6 o   18.110   0.1584   18.030   0.2412   18.180   0.2053 -0.1451000 0.3167000 
1 1 1  -26    8    7 o   12.180   0.1969   12.170   0.2765   12.190   0.2805 -0.2814000E-01 0.3939000 
1 1 1  -26    8    8 o   40.170   0.2343   40.390   0.3564   39.960   0.3042 0.4397000 0.4685000 
1 1 1  -26    8    9 o   48.610   0.2947   48.560   0.4161   48.660   0.4175 -0.9926000E-01 0.5894000 
1 1 1  -26    8   10 o   43.300   0.2680   43.170   0.3785   43.430   0.3796 -0.2553000 0.5361000 
1 1 1  -26    8   11 o   21.470   0.2101   21.400   0.2653   21.540   0.3258 -0.1447000 0.4202000 
1 1 1  -26    8   12 o   28.570   0.2316   28.780   0.2911   28.370   0.3604 0.4116000 0.4633000 
1 1 1  -26    8   13 o   44.070   0.3851   44.210   0.3899   43.930   0.6642 0.2890000 0.7702000 
1 1 1  -26    8   14 o   2.7960   0.7641   2.9690   1.0030   2.6230   1.1530 0.3465000 1.528000 
1 1 1  -26    8   15 o   33.110   0.2279   33.590   0.3262   32.630   0.3183 0.9616000 0.4558000 
1 1 1  -26    8   16 o   16.740   0.2095   16.620   0.3025   16.860   0.2898 -0.2376000 0.4189000 
1 1 1  -26    8   17 o   35.770   0.2968   35.170   0.4151   36.360   0.4244 -1.190000 0.5936000 
1 1 1  -26    8   18 o   20.430   0.2485   20.580   0.3525   20.270   0.3505 0.3079000 0.4971000 
1 1 1  -26    8   19 o   7.1740   0.3753   7.4980   0.5185   6.8500   0.5427 0.6480000 0.7506000 
1 1 1  -26    8   20 o   6.7600   0.3705   6.9490   0.4811   6.5720   0.5637 0.3767000 0.7411000 
1 1 1  -26    8   21 o   23.570   0.2065   23.260   0.2910   23.870   0.2929 -0.6084000 0.4129000 
1 1 1  -26    8   22 o   19.300   0.1941   19.370   0.2552   19.240   0.2926 0.1249000 0.3882000 
1 1 1  -26    8   23 o   9.3640   0.3431   9.1180   0.4688   9.6100   0.5011 -0.4916000 0.6862000 
1 1 1  -26    8   24 o   2.9150   0.7110   3.2870   0.9466   2.5430   1.0610 0.7446000 1.422000 
1 1 1  -26    8   25 o   19.200   0.2618   19.290   0.3747   19.120   0.3657 0.1673000 0.5236000 
1 1 1  -26    8   26 o   2.0180   0.6264   2.0220   0.8787   2.0150   0.8928 0.6157000E-02 1.253000 
1 1 1  -26    8   27 o   7.3510   0.3609   7.3510   0.4853   7.3520   0.5343 -0.1257000E-02 0.7218000 
1 1 1  -26    8   28 o   5.5390   0.4934   5.9010   0.6167   5.1770   0.7704 0.7240000 0.9869000 
1 1 1  -26    8   29 o   18.940   0.2138   19.000   0.2858   18.890   0.3182 0.1124000 0.4277000 
1 1 1  -26    8   30 o   4.7710   0.5894   5.0300   0.7556   4.5120   0.9047 0.5175000 1.179000 
1 1 1  -26    8   31 o   6.0480   0.6446   7.4160   0.6087   4.6800   1.1360 2.736000 1.289000 
1 1 1  -26    8   32 o   2.3220   0.6876   2.0060   0.9040   2.6380   1.0360 -0.6317000 1.375000 
1 1 1  -26   10    1 o   30.940   0.2388   30.880   0.3688   31.000   0.3036 -0.1214000 0.4777000 
1 1 1  -26   10    2 o   44.470   0.2762   44.710   0.3927   44.230   0.3886 0.4805000 0.5524000 
1 1 1  -26   10    3 o   42.350   0.2655   42.460   0.3764   42.250   0.3744 0.2176000 0.5309000 
1 1 1  -26   10    4 f   49.230   0.3002   48.880   0.4224   49.570   0.4266 -0.6913000 0.6004000 
1 1 1  -26   10    5 o   44.230   0.2747   44.150   0.3880   44.310   0.3889 -0.1654000 0.5494000 
1 1 1  -26   10    6 o   27.680   0.2289   27.570   0.2862   27.790   0.3574 -0.2206000 0.4579000 
1 1 1  -26   10    7 o   23.900   0.1926   23.970   0.2737   23.830   0.2710 0.1348000 0.3851000 
1 1 1  -26   10    8 o   42.750   0.2682   42.920   0.3809   42.580   0.3776 0.3391000 0.5363000 
1 1 1  -26   10    9 o   11.150   0.2392   11.290   0.3438   11.010   0.3327 0.2806000 0.4784000 
1 1 1  -26   10   10 o   30.620   0.2015   30.240   0.3036   31.000   0.2651 -0.7556000 0.4031000 
1 1 1  -26   10   11 f   33.780   0.2304   33.630   0.3238   33.920   0.3279 -0.2873000 0.4608000 
1 1 1  -26   10   12 o   7.1580   0.3731   7.1290   0.5320   7.1870   0.5234 -0.5792000E-01 0.7463000 
1 1 1  -26   10   13 o   20.180   0.2046   19.980   0.2873   20.380   0.2913 -0.4069000 0.4091000 
1 1 1  -26   10   14 o   11.730   0.3666   11.680   0.3657   11.780   0.6354 -0.9404000E-01 0.7331000 
1 1 1  -26   10   15 o   13.500   0.3536   13.870   0.4072   13.120   0.5782 0.7418000 0.7072000 
1 1 1  -26   10   16 o   32.400   0.2854   32.910   0.4044   31.880   0.4028 1.028000 0.5708000 
1 1 1  -26   10   17 o   18.100   0.2113   17.690   0.3024   18.510   0.2953 -0.8216000 0.4227000 
1 1 1  -26   10   18 o   17.550   0.2159   17.200   0.3086   17.890   0.3021 -0.6908000 0.4319000 
1 1 1  -26   10   19 o   8.1320   0.3813   8.1710   0.5887   8.0920   0.4848 0.7896000E-01 0.7626000 
1 1 1  -26   10   20 o   11.130   0.2970   11.490   0.4507   10.780   0.3871 0.7129000 0.5941000 
1 1 1  -26   10   21 o   2.9880   0.8108   3.0950   1.2120   2.8810   1.0770 0.2134000 1.622000 
1 1 1  -26   10   22 o   24.070   0.3176   24.060   0.3890   24.080   0.5022 -0.1884000E-01 0.6352000 
1 1 1  -26   10   23 o   3.7250   0.7575   3.9330   1.0100   3.5180   1.1290 0.4150000 1.515000 
1 1 1  -26   10   24 o   12.710   0.2720   12.540   0.3258   12.890   0.4358 -0.3519000 0.5441000 
1 1 1  -26   10   25 o   13.580   0.2767   13.710   0.3492   13.440   0.4293 0.2713000 0.5534000 
1 1 1  -26   10   26 o   8.3550   0.3323   7.8800   0.4690   8.8310   0.4708 -0.9511000 0.6646000 
1 1 1  -26   10   27 o   8.0660   0.3441   8.1520   0.4476   7.9810   0.5227 0.1714000 0.6881000 
1 1 1  -26   10   28 o   6.6160   0.4171   6.3060   0.5687   6.9260   0.6104 -0.6197000 0.8343000 
1 1 1  -26   10   29 f   2.5010   0.6176   3.4740   0.9827   1.5280   0.7483 1.946000 1.235000 
1 1 1  -26   10   30 o   5.2400   0.6694   4.8480   0.9108   5.6320   0.9813 -0.7843000 1.339000 
1 1 1  -26   10   31 o   4.6070   0.6314   5.1100   0.7731   4.1040   0.9986 1.006000 1.263000 
1 1 1  -26   10   32 o   2.0050   0.9972   2.0050   0.9972  ?   ?       ?      ? 
1 1 1  -26   12    1 o   30.500   0.1891   30.730   0.2692   30.280   0.2655 0.4525000 0.3781000 
1 1 1  -26   12    2 o   25.140   0.1913   25.610   0.2918   24.660   0.2474 0.9417000 0.3826000 
1 1 1  -26   12    3 o   46.600   0.2507   46.560   0.3543   46.650   0.3548 -0.8244000E-01 0.5014000 
1 1 1  -26   12    4 o   36.860   0.2108   36.850   0.2977   36.870   0.2985 -0.1694000E-01 0.4216000 
1 1 1  -26   12    5 o   49.880   0.2871   49.990   0.4353   49.780   0.3744 0.2184000 0.5741000 
1 1 1  -26   12    6 o   38.820   0.2367   38.760   0.3590   38.880   0.3086 -0.1199000 0.4734000 
1 1 1  -26   12    7 o   18.370   0.1896   18.350   0.2896   18.390   0.2449 -0.3237000E-01 0.3792000 
1 1 1  -26   12    8 o   18.390   0.1905   18.210   0.2880   18.570   0.2495 -0.3634000 0.3810000 
1 1 1  -26   12    9 o   7.0450   0.3651   7.3050   0.5509   6.7850   0.4792 0.5203000 0.7301000 
1 1 1  -26   12   10 o   29.260   0.2037   29.160   0.3081   29.350   0.2666 -0.1837000 0.4074000 
1 1 1  -26   12   11 o   39.420   0.2423   39.400   0.3660   39.440   0.3177 -0.4573000E-01 0.4846000 
1 1 1  -26   12   12 o   15.040   0.2896   14.580   0.3937   15.510   0.4247 -0.9275000 0.5791000 
1 1 1  -26   12   13 o   17.440   0.2680   17.430   0.3686   17.460   0.3891 -0.3534000E-01 0.5360000 
1 1 1  -26   12   14 o   21.200   0.2117   21.020   0.3025   21.380   0.2962 -0.3583000 0.4233000 
1 1 1  -26   12   15 o   27.020   0.2523   27.310   0.3115   26.730   0.3969 0.5717000 0.5046000 
1 1 1  -26   12   16 o   10.460   0.4268   10.500   0.4343   10.420   0.7347 0.7160000E-01 0.8535000 
1 1 1  -26   12   17 o   16.550   0.3209   16.860   0.3243   16.240   0.5539 0.6259000 0.6418000 
1 1 1  -26   12   18 o   16.400   0.2522   16.220   0.3918   16.580   0.3178 -0.3550000 0.5045000 
1 1 1  -26   12   19 o   8.1660   0.3706   7.6210   0.5647   8.7120   0.4801 -1.091000 0.7412000 
1 1 1  -26   12   20 o   5.3150   0.7694   5.8530   0.8974   4.7780   1.2500 1.075000 1.539000 
1 1 1  -26   12   21 o   13.400   0.2831   13.760   0.3525   13.040   0.4430 0.7167000 0.5661000 
1 1 1  -26   12   22 o   2.8730   0.7366   2.9520   1.0470   2.7930   1.0360 0.1584000 1.473000 
1 1 1  -26   12   23 o   17.020   0.2545   16.830   0.3284   17.220   0.3890 -0.3884000 0.5090000 
1 1 1  -26   12   24 o   13.560   0.2899   13.420   0.3724   13.700   0.4444 -0.2800000 0.5798000 
1 1 1  -26   12   25 o   9.2800   0.3373   9.3850   0.4824   9.1750   0.4715 0.2105000 0.6746000 
1 1 1  -26   12   26 o   8.7490   0.3495   8.9920   0.4917   8.5060   0.4967 0.4855000 0.6989000 
1 1 1  -26   12   27 o   8.4080   0.3731   8.6640   0.5278   8.1530   0.5276 0.5110000 0.7463000 
1 1 1  -26   12   28 o   3.5180   0.7313   3.6970   1.0060   3.3380   1.0610 0.3583000 1.463000 
1 1 1  -26   12   29 o   9.8370   0.3896   9.5970   0.5203   10.080   0.5800 -0.4783000 0.7792000 
1 1 1  -26   12   30 o   7.8360   0.3940   8.5350   0.4930   7.1360   0.6148 1.399000 0.7880000 
1 1 1  -26   12   31 o   1.9950   0.6333   2.3480   0.9844   1.6410   0.7969 0.7077000 1.267000 
1 1 1  -26   14    1 o   23.110   0.2086   22.840   0.2954   23.370   0.2946 -0.5247000 0.4172000 
1 1 1  -26   14    2 o   15.560   0.2231   15.580   0.3118   15.540   0.3192 0.4113000E-01 0.4462000 
1 1 1  -26   14    3 o   32.000   0.2278   31.770   0.3190   32.220   0.3253 -0.4467000 0.4556000 
1 1 1  -26   14    4 o   35.720   0.2421   36.010   0.3427   35.430   0.3420 0.5880000 0.4842000 
1 1 1  -26   14    5 o   24.040   0.2305   23.950   0.3523   24.120   0.2972 -0.1699000 0.4609000 
1 1 1  -26   14    6 o   6.7250   0.4214   6.5040   0.5994   6.9460   0.5924 -0.4426000 0.8428000 
1 1 1  -26   14    7 o   31.140   0.2540   30.950   0.3920   31.320   0.3231 -0.3688000 0.5080000 
1 1 1  -26   14    8 o   4.4330   0.7138   4.0700   1.1230   4.7970   0.8817 -0.7273000 1.428000 
1 1 1  -26   14    9 o   27.980   0.2094   28.150   0.3191   27.820   0.2712 0.3270000 0.4188000 
1 1 1  -26   14   10 o   12.670   0.2509   12.790   0.3803   12.560   0.3273 0.2393000 0.5017000 
1 1 1  -26   14   11 o   10.560   0.2816   10.010   0.4407   11.110   0.3508 -1.099000 0.5633000 
1 1 1  -26   14   12 f   19.970   0.2046   20.210   0.3116   19.720   0.2651 0.4923000 0.4091000 
1 1 1  -26   14   13 o   18.050   0.2405   18.630   0.3902   17.480   0.2813 1.154000 0.4810000 
1 1 1  -26   14   14 o   11.150   0.2968   11.640   0.4015   10.650   0.4371 0.9889000 0.5935000 
1 1 1  -26   14   15 o   12.070   0.2747   11.940   0.3945   12.190   0.3825 -0.2504000 0.5495000 
1 1 1  -26   14   16 f   8.9620   0.3880   10.080   0.5377   7.8470   0.5596 2.231000 0.7760000 
1 1 1  -26   14   17 o   18.740   0.3446   18.310   0.4200   19.170   0.5465 -0.8602000 0.6893000 
1 1 1  -26   14   18 o   9.5240   0.6130   9.5240   0.6130  ?   ?       ?      ? 
1 1 1  -26   14   19 o   20.320   0.2524   20.050   0.3146   20.580   0.3948 -0.5343000 0.5048000 
1 1 1  -26   14   20 o   17.820   0.2577   17.820   0.3223   17.820   0.4022 0.2005000E-02 0.5154000 
1 1 1  -26   14   21 o   11.530   0.2818   11.950   0.3904   11.110   0.4064 0.8406000 0.5635000 
1 1 1  -26   14   22 o   12.500   0.3936   12.500   0.3936  ?   ?       ?      ? 
1 1 1  -26   14   23 o   8.9890   0.3475   8.8110   0.5096   9.1680   0.4725 -0.3565000 0.6949000 
1 1 1  -26   14   24 f   11.430   0.2948   11.360   0.4287   11.500   0.4049 -0.1392000 0.5897000 
1 1 1  -26   14   25 o   4.4270   0.6814   3.8740   1.0600   4.9800   0.8563 -1.106000 1.363000 
1 1 1  -26   14   26 o   2.6300   0.7168   2.0560   0.9391   3.2040   1.0830 -1.148000 1.434000 
1 1 1  -26   14   27 o   5.0740   0.7786   4.8290   1.1060   5.3180   1.0960 -0.4886000 1.557000 
1 1 1  -26   14   28 o   2.4920   0.7334   2.4230   1.0420   2.5610   1.0320 -0.1380000 1.467000 
1 1 1  -26   14   29 o   5.8550   0.5696   5.3950   0.9094   6.3150   0.6863 -0.9195000 1.139000 
1 1 1  -26   14   30 o   3.8050   0.8726   3.0640   1.2560   4.5460   1.2110 -1.482000 1.745000 
1 1 1  -26   16    1 o   6.5370   0.4183   6.4250   0.6030   6.6480   0.5799 -0.2233000 0.8366000 
1 1 1  -26   16    2 o   8.8090   0.3151   8.9170   0.4365   8.7010   0.4545 0.2159000 0.6302000 
1 1 1  -26   16    3 o   23.240   0.1895   23.040   0.2665   23.430   0.2696 -0.3876000 0.3791000 
1 1 1  -26   16    4 o   19.730   0.1928   19.680   0.2709   19.770   0.2743 -0.8889000E-01 0.3856000 
1 1 1  -26   16    5 o   13.570   0.2232   13.570   0.3146   13.570   0.3168 -0.6782000E-02 0.4464000 
1 1 1  -26   16    6 o   13.560   0.2204   13.950   0.3033   13.170   0.3199 0.7758000 0.4408000 
1 1 1  -26   16    7 o   18.530   0.2121   18.790   0.3206   18.270   0.2777 0.5186000 0.4242000 
1 1 1  -26   16    8 o   9.6270   0.3101   9.9570   0.4570   9.2970   0.4194 0.6593000 0.6203000 
1 1 1  -26   16    9 o   27.870   0.2141   27.260   0.3226   28.490   0.2815 -1.228000 0.4281000 
1 1 1  -26   16   10 o   14.300   0.2393   14.310   0.3646   14.290   0.3099 0.1289000E-01 0.4785000 
1 1 1  -26   16   11 o   12.020   0.2656   11.780   0.4133   12.260   0.3338 -0.4830000 0.5312000 
1 1 1  -26   16   12 o   13.780   0.2874   13.640   0.4459   13.930   0.3626 -0.2969000 0.5747000 
1 1 1  -26   16   13 o   14.160   0.3873   14.020   0.6458   14.300   0.4277 -0.2841000 0.7746000 
1 1 1  -26   16   14 o   19.140   0.3517   18.880   0.5855   19.400   0.3898 -0.5180000 0.7034000 
1 1 1  -26   16   15 o   11.640   0.3632   11.870   0.5044   11.410   0.5227 0.4649000 0.7264000 
1 1 1  -26   16   16 o   6.2680   0.5375   5.9670   0.7208   6.5700   0.7976 -0.6032000 1.075000 
1 1 1  -26   16   17 o   9.7120   0.3695   9.8780   0.4571   9.5450   0.5806 0.3339000 0.7389000 
1 1 1  -26   16   18 o   3.9010   0.9114   3.8540   1.0420   3.9470   1.4960 -0.9254000E-01 1.823000 
1 1 1  -26   16   19 o   19.480   0.3258   19.460   0.3265   19.500   0.5638 -0.4181000E-01 0.6515000 
1 1 1  -26   16   20 o   13.430   0.3034   13.410   0.3834   13.450   0.4703 -0.3836000E-01 0.6068000 
1 1 1  -26   16   21 o   12.260   0.3218   12.380   0.4002   12.140   0.5041 0.2408000 0.6436000 
1 1 1  -26   16   22 o   10.190   0.3188   10.280   0.4441   10.090   0.4575 0.1896000 0.6376000 
1 1 1  -26   16   23 o   14.140   0.2656   14.290   0.3731   14.000   0.3780 0.2919000 0.5311000 
1 1 1  -26   16   24 o   14.470   0.2645   14.260   0.3819   14.670   0.3661 -0.4098000 0.5291000 
1 1 1  -26   16   25 o   3.5030   0.8719   3.1930   1.2110   3.8140   1.2550 -0.6210000 1.744000 
1 1 1  -26   16   26 o   5.8680   0.7104   6.2480   0.9098   5.4890   1.0910 0.7594000 1.421000 
1 1 1  -26   16   27 o   3.5940   0.7844   3.8720   1.1060   3.3150   1.1120 0.5572000 1.569000 
1 1 1  -26   16   28 o   2.6330   0.7217   3.3940   1.1300   1.8720   0.8980 1.522000 1.443000 
1 1 1  -26   18    1 o   10.750   0.3476   10.960   0.5282   10.530   0.4519 0.4273000 0.6951000 
1 1 1  -26   18    2 o   16.540   0.3018   16.770   0.4260   16.310   0.4276 0.4514000 0.6036000 
1 1 1  -26   18    3 o   11.530   0.3693   11.270   0.5314   11.790   0.5130 -0.5214000 0.7387000 
1 1 1  -26   18    4 o   3.6100   0.8584   3.7960   1.2150   3.4250   1.2130 0.3709000 1.717000 
1 1 1  -26   18    5 o   5.1000   0.7631   4.9210   1.0950   5.2800   1.0630 -0.3584000 1.526000 
1 1 1  -26   18    6 o   12.460   0.3462   12.560   0.4837   12.360   0.4954 0.2073000 0.6924000 
1 1 1  -26   18    7 o   3.3990   0.9070   2.9820   1.3350   3.8150   1.2280 -0.8329000 1.814000 
1 1 1  -26   18    8 o   9.4600   0.5534   9.6810   0.9222   9.2390   0.6121 0.4420000 1.107000 
1 1 1  -26   18    9 o   8.8040   0.5327   9.2510   0.9310   8.3570   0.5182 0.8937000 1.065000 
1 1 1  -26   18   10 o   9.3850   0.3349   9.1660   0.5254   9.6030   0.4156 -0.4370000 0.6698000 
1 1 1  -26   18   11 o   12.850   0.2683   12.530   0.4199   13.170   0.3341 -0.6412000 0.5366000 
1 1 1  -26   18   12 o   15.450   0.2559   15.680   0.3600   15.220   0.3638 0.4576000 0.5118000 
1 1 1  -26   18   13 o   14.750   0.2388   14.860   0.3616   14.640   0.3121 0.2112000 0.4776000 
1 1 1  -26   18   14 o   4.3800   0.7516   3.6100   1.0840   5.1490   1.0420 -1.539000 1.503000 
1 1 1  -26   18   15 o   12.260   0.3166   11.950   0.4125   12.570   0.4805 -0.6176000 0.6333000 
1 1 1  -26   18   16 o   4.8830   0.6542   4.2200   1.0080   5.5470   0.8343 -1.326000 1.308000 
1 1 1  -26   18   17 o   5.7430   0.5613   5.5240   0.8107   5.9610   0.7765 -0.4366000 1.123000 
1 1 1  -26   18   18 o   11.160   0.3411   11.100   0.4420   11.210   0.5196 -0.1190000 0.6821000 
1 1 1  -26   18   19 o   6.2120   0.7882   7.2320   0.6175   5.1920   1.4500 2.039000 1.576000 
1 1 1  -26   18   20 o   4.2740   0.7325   5.7870   0.7643   2.7610   1.2500 3.026000 1.465000 
1 1 1  -26   18   21 o   4.1860   0.6626   5.7200   0.7845   2.6520   1.0680 3.068000 1.325000 
1 1 1  -26   18   22 o   2.8790   0.7523   3.3550   1.1040   2.4030   1.0220 0.9520000 1.505000 
1 1 1  -26   18   23 o   10.530   0.4244   10.290   0.5846   10.770   0.6155 -0.4865000 0.8488000 
1 1 1  -26   18   24 o   8.7220   0.4993   8.2820   0.7034   9.1630   0.7088 -0.8812000 0.9986000 
1 1 1  -26   18   25 o   7.3490   0.4620   7.0710   0.6683   7.6270   0.6381 -0.5565000 0.9240000 
1 1 1  -26   18   26 o   5.0150   0.6719   5.8210   0.8174   4.2090   1.0670 1.612000 1.344000 
1 1 1  -26   18   27 o   2.2660   0.7069   2.0880   0.9587   2.4450   1.0390 -0.3572000 1.414000 
1 1 1  -26   20    1 o   7.4900   0.3834   7.5660   0.5308   7.4140   0.5533 0.1512000 0.7668000 
1 1 1  -26   20    2 o   3.5230   0.7005   2.9050   1.0350   4.1420   0.9445 -1.237000 1.401000 
1 1 1  -26   20    3 o   5.3470   0.5265   5.5250   0.7026   5.1690   0.7843 0.3560000 1.053000 
1 1 1  -26   20    4 o   3.7010   0.6713   4.5540   0.8461   2.8470   1.0430 1.708000 1.343000 
1 1 1  -26   20    5 o   3.6270   0.6987   4.1430   0.9285   3.1100   1.0440 1.034000 1.397000 
1 1 1  -26   20    6 o   6.9470   0.4019   6.8700   0.5711   7.0240   0.5656 -0.1544000 0.8038000 
1 1 1  -26   20    7 o   10.510   0.2787   10.330   0.3937   10.690   0.3947 -0.3629000 0.5574000 
1 1 1  -26   20    8 o   6.4060   0.4701   6.5050   0.6998   6.3070   0.6278 0.1979000 0.9402000 
1 1 1  -26   20    9 o   8.2120   0.3681   8.4140   0.5436   8.0090   0.4966 0.4048000 0.7363000 
1 1 1  -26   20   10 o   7.8490   0.3978   7.4590   0.6383   8.2400   0.4751 -0.7811000 0.7957000 
1 1 1  -26   20   11 o   18.780   0.2271   18.530   0.3476   19.040   0.2925 -0.5136000 0.4543000 
1 1 1  -26   20   12 o   13.500   0.3441   12.850   0.5039   14.150   0.4688 -1.293000 0.6882000 
1 1 1  -26   20   13 o   5.1730   0.6883   5.4890   0.8173   4.8570   1.1080 0.6319000 1.377000 
1 1 1  -26   20   14 o   5.1140   0.6241   5.0470   0.9091   5.1800   0.8554 -0.1330000 1.248000 
1 1 1  -26   20   15 o   13.190   0.2757   13.150   0.3905   13.230   0.3894 -0.8109000E-01 0.5515000 
1 1 1  -26   20   16 o   12.970   0.2637   13.070   0.4007   12.870   0.3428 0.2022000 0.5273000 
1 1 1  -26   20   17 o   5.6890   0.5283   5.6610   0.7902   5.7170   0.7015 -0.5608000E-01 1.057000 
1 1 1  -26   20   18 o   2.5020   0.7094   2.1840   0.9670   2.8200   1.0380 -0.6351000 1.419000 
1 1 1  -26   20   19 o   7.9730   0.4172   8.2530   0.5651   7.6930   0.6138 0.5599000 0.8343000 
1 1 1  -26   20   20 o   4.0400   0.9729   3.8170   1.2290   4.2640   1.5090 -0.4464000 1.946000 
1 1 1  -26   20   21 o   5.9250   0.8745   6.6490   0.8522   5.2010   1.5270 1.448000 1.749000 
1 1 1  -26   20   22 o   3.5040   0.8002   3.6630   1.1170   3.3450   1.1460 0.3184000 1.600000 
1 1 1  -26   20   23 o   6.6910   0.5170   7.0340   0.6985   6.3480   0.7624 0.6858000 1.034000 
1 1 1  -26   20   24 o   5.9510   0.5893   6.5230   0.7464   5.3800   0.9121 1.144000 1.179000 
1 1 1  -26   20   25 o   2.0150   0.6637   2.1320   0.9753   1.8970   0.9003 0.2350000 1.327000 
1 1 1  -26   22    1 o   5.1790   0.6679   6.2620   0.7702   4.0970   1.0920 2.164000 1.336000 
1 1 1  -26   22    2 o   9.0170   0.3859   9.1540   0.5418   8.8790   0.5497 0.2742000 0.7719000 
1 1 1  -26   22    3 o   6.2060   0.5408   6.1930   0.7672   6.2200   0.7624 -0.2748000E-01 1.082000 
1 1 1  -26   22    4 o   7.9820   0.4308   8.3540   0.5803   7.6100   0.6367 0.7435000 0.8615000 
1 1 1  -26   22    5 o   9.9460   0.3566   10.470   0.4832   9.4200   0.5244 1.052000 0.7131000 
1 1 1  -26   22    6 o   8.2690   0.4121   8.7990   0.5500   7.7400   0.6138 1.059000 0.8241000 
1 1 1  -26   22    7 o   2.9320   0.7720   2.6630   1.0700   3.2000   1.1130 -0.5364000 1.544000 
1 1 1  -26   22    8 o   2.9160   0.7781   2.9520   1.0960   2.8810   1.1050 0.7093000E-01 1.556000 
1 1 1  -26   22    9 o   6.7140   0.6126   7.8180   0.5987   5.6110   1.0690 2.207000 1.225000 
1 1 1  -26   22   10 o   10.460   0.3853   10.210   0.4955   10.710   0.5902 -0.5046000 0.7706000 
1 1 1  -26   22   11 f   11.910   0.3153   11.880   0.4441   11.940   0.4477 -0.6130000E-01 0.6306000 
1 1 1  -26   22   12 o   10.460   0.3144   10.720   0.4680   10.190   0.4200 0.5336000 0.6288000 
1 1 1  -26   22   13 o   5.6120   0.5437   6.1500   0.7455   5.0750   0.7917 1.076000 1.087000 
1 1 1  -26   22   14 o   2.9520   0.7062   3.8620   1.0760   2.0420   0.9147 1.820000 1.412000 
1 1 1  -26   22   15 f   9.9340   0.3232   10.370   0.4671   9.4950   0.4467 0.8767000 0.6464000 
1 1 1  -26   22   16 o   9.2290   0.3457   9.2490   0.5084   9.2100   0.4686 0.3927000E-01 0.6914000 
1 1 1  -26   22   17 o   5.9440   0.6386   6.1150   0.9372   5.7720   0.8676 0.3429000 1.277000 
1 1 1  -26   22   18 o   11.210   0.3716   11.090   0.5569   11.330   0.4921 -0.2386000 0.7432000 
1 1 1  -26   22   19 o   3.6320   0.7489   4.2430   1.0500   3.0210   1.0680 1.222000 1.498000 
1 1 1  -26   22   20 o   6.2130   0.5093   6.5270   0.7331   5.8990   0.7073 0.6274000 1.019000 
1 1 1  -26   22   21 o   5.3170   0.8298   6.7910   0.7297   3.8430   1.4910 2.948000 1.660000 
1 1 1  -26   22   22 o   6.5080   0.8313   8.9010   0.5839   4.1150   1.5570 4.786000 1.663000 
1 1 1  -26   22   23 o   2.3000   0.7336   1.9300   0.9164   2.6700   1.1460 -0.7400000 1.467000 
1 1 1  -26   24    1 o   2.2600   0.6737   1.8910   0.8734   2.6290   1.0260 -0.7384000 1.347000 
1 1 1  -26   24    2 o   3.5050   0.7246   3.0320   1.0580   3.9770   0.9903 -0.9456000 1.449000 
1 1 1  -26   24    3 o   2.2990   0.6719   2.8550   1.0430   1.7430   0.8471 1.112000 1.344000 
1 1 1  -26   24    4 o   7.5210   0.3948   8.2660   0.4998   6.7760   0.6113 1.491000 0.7897000 
1 1 1  -26   24    5 o   5.5920   0.5172   5.4310   0.7541   5.7530   0.7081 -0.3222000 1.034000 
1 1 1  -26   24    6 o   13.910   0.2638   14.140   0.3387   13.690   0.4044 0.4563000 0.5275000 
1 1 1  -26   24    7 o   10.260   0.3821   10.540   0.4090   9.9890   0.6456 0.5526000 0.7642000 
1 1 1  -26   24    8 o   4.1970   0.8220   3.6680   1.1060   4.7260   1.2160 -1.058000 1.644000 
1 1 1  -26   24    9 o   1.8940   0.6247   1.9870   0.9203   1.8010   0.8451 0.1863000 1.249000 
1 1 1  -26   24   10 o   2.1190   0.6559   2.7860   1.0980   1.4530   0.7182 1.333000 1.312000 
1 1 1  -26   24   11 o   2.4970   0.7550   2.4800   1.0830   2.5130   1.0520 -0.3254000E-01 1.510000 
1 1 1  -26   24   12 o   9.2970   0.4128   8.7040   0.6556   9.8890   0.5017 -1.185000 0.8255000 
1 1 1  -26   24   13 o   5.3820   0.6833   5.3770   1.0190   5.3880   0.9102 -0.1047000E-01 1.367000 
1 1 1  -26   24   14 o   6.0990   0.5222   5.6940   0.8197   6.5030   0.6473 -0.8083000 1.044000 
1 1 1  -26   24   15 o   4.6080   0.6787   4.9530   0.9561   4.2630   0.9636 0.6903000 1.357000 
1 1 1  -26   24   16 o   2.6170   0.7355   2.4660   1.0430   2.7680   1.0370 -0.3021000 1.471000 
1 1 1  -26   24   17 o   6.5250   0.4895   6.1850   0.7676   6.8640   0.6077 -0.6792000 0.9790000 
1 1 1  -26   24   18 o   3.1610   0.7681   2.8320   1.1010   3.4900   1.0720 -0.6574000 1.536000 
1 1 1  -26   24   19 o   2.2180   0.6753   1.7400   0.8403   2.6950   1.0570 -0.9544000 1.351000 
1 1 1  -26   24   20 o   4.1440   0.7557   4.5830   1.0530   3.7050   1.0840 0.8785000 1.511000 
1 1 1  -26   26    1 o   3.4540   0.7359   2.8880   1.0710   4.0190   1.0100 -1.132000 1.472000 
1 1 1  -26   26    2 o   11.740   0.2841   11.660   0.4043   11.830   0.3992 -0.1709000 0.5682000 
1 1 1  -26   26    3 o   3.0160   0.7286   3.7930   1.0560   2.2380   1.0040 1.555000 1.457000 
1 1 1  -26   26    4 f   2.5080   0.7611   2.5510   1.0260   2.4650   1.1250 0.8571000E-01 1.522000 
1 1 1  -26   26    5 o   7.2550   0.5527   7.8480   0.5581   6.6620   0.9541 1.186000 1.105000 
1 1 1  -26   26    6 o   2.4660   0.6764   3.2320   1.0820   1.6990   0.8125 1.533000 1.353000 
1 1 1  -26   26    7 o   2.5110   0.7034   2.9610   1.0620   2.0600   0.9229 0.9004000 1.407000 
1 1 1  -26   26    8 o   8.7340   0.3786   8.6950   0.5788   8.7730   0.4881 -0.7791000E-01 0.7571000 
1 1 1  -26   26    9 o   5.3460   0.5967   5.7530   0.8475   4.9400   0.8404 0.8133000 1.193000 
1 1 1  -26   26   10 o   3.8400   0.6693   2.4890   1.0720   5.1900   0.8022 -2.701000 1.339000 
1 1 1  -26   26   11 o   3.0820   0.7883   3.1150   1.1630   3.0490   1.0650 0.6627000E-01 1.577000 
1 1 1  -26   26   12 o   2.4880   0.7238   2.2350   1.0080   2.7410   1.0390 -0.5058000 1.448000 
1 1 1  -26   26   13 o   6.1490   0.5322   6.3190   0.7965   5.9800   0.7061 0.3386000 1.064000 
1 1 1  -26   26   14 o   2.9050   0.7382   3.6840   1.1370   2.1260   0.9414 1.558000 1.476000 
1 1 1  -26   26   15 o   3.5600   0.7746   3.3820   1.1490   3.7380   1.0390 -0.3561000 1.549000 
1 1 1  -26   26   16 o   4.0970   0.7234   5.0050   0.9681   3.1900   1.0750 1.815000 1.447000 
1 1 1  -26   26   17 o   3.3140   1.0120   3.1350   1.3830   3.4930   1.4780 -0.3587000 2.024000 
1 1 1  -26   28    1 f   2.5250   0.7495   2.8960   1.0910   2.1540   1.0280 0.7418000 1.499000 
1 1 1  -26   28    2 o   5.2140   0.7687   5.5160   0.8307   4.9120   1.2940 0.6039000 1.537000 
1 1 1  -26   28    3 o   2.9420   0.7748   2.8160   1.0910   3.0680   1.1000 -0.2520000 1.550000 
1 1 1  -26   28    4 o   4.2640   0.7217   4.2310   1.0350   4.2960   1.0060 -0.6464000E-01 1.443000 
1 1 1  -26   28    5 o   3.7940   0.7502   3.9790   1.0470   3.6100   1.0750 0.3685000 1.500000 
1 1 1  -26   28    6 o   2.3270   0.7000   2.6540   1.0570   2.0010   0.9176 0.6534000 1.400000 
1 1 1  -26   28    7 f   2.9240   0.7845   2.8040   1.1350   3.0440   1.0840 -0.2394000 1.569000 
1 1 1  -26   28    8 o   3.8210   0.7543   2.9910   1.1660   4.6500   0.9568 -1.658000 1.509000 
1 1 1  -26   28    9 o   3.8210   0.8371   3.2020   1.2680   4.4400   1.0940 -1.239000 1.674000 
1 1 1  -26   28   10 o   2.1170   0.7162   2.2200   1.0540   2.0140   0.9697 0.2059000 1.432000 
1 1 1  -26   28   11 o   2.1890   0.7618   2.4930   1.2130   1.8850   0.9225 0.6075000 1.524000 
1 1 1  -25    1    1 o   2.0180   0.4835   1.8890   0.7482   2.1460   0.6125 -0.2576000 0.9670000 
1 1 1  -25    1    2 o   11.700   0.1510   11.320   0.2442   12.080   0.1777 -0.7564000 0.3021000 
1 1 1  -25    1    3 o   8.8310   0.1797   8.8180   0.3366   8.8450   0.1262 -0.2647000E-01 0.3595000 
1 1 1  -25    1    4 o   6.3460   0.2355   5.9470   0.3833   6.7450   0.2737 -0.7982000 0.4710000 
1 1 1  -25    1    5 o   10.980   0.1599  ?   ?    10.980   0.1599      ?      ? 
1 1 1  -25    1    6 o   44.500   0.2428   44.240   0.3655   44.760   0.3196 -0.5150000 0.4855000 
1 1 1  -25    1    7 o   21.020   0.1975   21.390   0.3467   20.650   0.1893 0.7394000 0.3950000 
1 1 1  -25    1    9 f   24.210   0.1924   24.740   0.2784   23.670   0.2657 1.071000 0.3849000 
1 1 1  -25    1   10 o   22.170   0.1590   22.180   0.1865   22.160   0.2576 0.2580000E-01 0.3180000 
1 1 1  -25    1   11 o   25.900   0.1591   25.960   0.2089   25.840   0.2399 0.1177000 0.3181000 
1 1 1  -25    1   12 o   15.370   0.1306   15.210   0.1851   15.530   0.1842 -0.3153000 0.2611000 
1 1 1  -25    1   13 o   48.050   0.3506   48.140   0.4969   47.960   0.4948 0.1768000 0.7013000 
1 1 1  -25    1   14 o   13.790   0.1756   13.620   0.2501   13.950   0.2464 -0.3343000 0.3511000 
1 1 1  -25    1   15 o   38.450   0.2074   38.330   0.2926   38.580   0.2940 -0.2488000 0.4148000 
1 1 1  -25    1   16 o   5.9770   0.3150   6.1570   0.4336   5.7970   0.4571 0.3591000 0.6301000 
1 1 1  -25    1   17 o   6.3480   0.3088   6.4790   0.4274   6.2180   0.4459 0.2608000 0.6177000 
1 1 1  -25    1   18 o   40.640   0.2220   40.730   0.3145   40.560   0.3134 0.1708000 0.4440000 
1 1 1  -25    1   19 o   30.850   0.1861   30.780   0.2627   30.910   0.2638 -0.1315000 0.3723000 
1 1 1  -25    1   20 f   12.850   0.1940   12.940   0.2741   12.760   0.2746 0.1734000 0.3880000 
1 1 1  -25    1   21 o   25.010   0.2443   25.110   0.3457   24.910   0.3452 0.1990000 0.4885000 
1 1 1  -25    1   22 o   26.710   0.1816   26.920   0.2587   26.500   0.2550 0.4271000 0.3632000 
1 1 1  -25    1   23 o   5.0790   0.4495   5.4520   0.5836   4.7050   0.6837 0.7470000 0.8989000 
1 1 1  -25    1   24 o   22.410   0.1781   22.660   0.2521   22.150   0.2516 0.5101000 0.3562000 
1 1 1  -25    1   25 o   15.200   0.1960   14.770   0.2806   15.630   0.2736 -0.8538000 0.3919000 
1 1 1  -25    1   26 o   9.2240   0.4791   9.9690   0.5251   8.4790   0.8015 1.490000 0.9581000 
1 1 1  -25    1   27 o   20.160   0.2041   20.410   0.2687   19.910   0.3073 0.4976000 0.4082000 
1 1 1  -25    1   28 o   10.020   0.2832   10.110   0.3699   9.9200   0.4288 0.1909000 0.5663000 
1 1 1  -25    1   29 o   10.920   0.2725   11.110   0.3605   10.730   0.4089 0.3836000 0.5451000 
1 1 1  -25    1   30 o   3.8150   0.6869   3.5840   0.9529   4.0450   0.9895 -0.4607000 1.374000 
1 1 1  -25    1   31 o   5.1420   0.6215   4.7340   0.7815   5.5500   0.9666 -0.8161000 1.243000 
1 1 1  -25    1   32 o   12.160   0.3352   11.980   0.4373   12.350   0.5083 -0.3668000 0.6705000 
1 1 1  -25    1   33 o   5.3340   0.8521   3.7290   1.5000   6.9390   0.8087 -3.210000 1.704000 
1 1 1  -25    3    1 o   26.720   0.1677   26.690   0.2372   26.740   0.2370 -0.4719000E-01 0.3353000 
1 1 1  -25    3    2 o   12.160   0.1072   12.220   0.1580   12.090   0.1447 0.1212000 0.2143000 
1 1 1  -25    3    3 o   6.0200   0.1561   6.2300   0.2598   5.8110   0.1730 0.4189000 0.3121000 
1 1 1  -25    3    4 o   20.990   0.1543   21.410   0.2596   20.570   0.1669 0.8462000 0.3086000 
1 1 1  -25    3    5 o   26.130   0.1767   26.180   0.2923   26.070   0.1986 0.1176000 0.3534000 
1 1 1  -25    3    6 o   46.730   0.3076   46.380   0.4749   47.080   0.3912 -0.7023000 0.6153000 
1 1 1  -25    3    7 o   33.640   0.2296   33.610   0.3570   33.680   0.2889 -0.6306000E-01 0.4592000 
1 1 1  -25    3    8 o   16.680   0.1738   16.660   0.2430   16.690   0.2484 -0.3648000E-01 0.3475000 
1 1 1  -25    3    9 o   17.060   0.1784   16.850   0.2513   17.260   0.2532 -0.4078000 0.3567000 
1 1 1  -25    3   10 o   19.810   0.1421   20.150   0.1836   19.460   0.2169 0.6905000 0.2842000 
1 1 1  -25    3   11 o   27.440   0.2516   27.420   0.2537   27.470   0.4345 -0.4716000E-01 0.5032000 
1 1 1  -25    3   12 o   33.150   0.2933   33.060   0.2940   33.250   0.5076 -0.1972000 0.5866000 
1 1 1  -25    3   13 o   52.070   0.3462   52.410   0.4405   51.720   0.5341 0.6865000 0.6923000 
1 1 1  -25    3   14 o   38.640   0.2563   38.270   0.2920   39.010   0.4213 -0.7470000 0.5126000 
1 1 1  -25    3   15 o   39.330   0.2297   38.960   0.2977   39.700   0.3500 -0.7490000 0.4594000 
1 1 1  -25    3   16 o   19.810   0.1686   19.710   0.2218   19.920   0.2540 -0.2067000 0.3372000 
1 1 1  -25    3   17 o   39.530   0.2335   39.790   0.3081   39.270   0.3509 0.5233000 0.4669000 
1 1 1  -25    3   18 o   34.280   0.2128   34.480   0.2808   34.070   0.3198 0.4089000 0.4256000 
1 1 1  -25    3   19 o   20.750   0.1991   20.340   0.2395   21.160   0.3181 -0.8218000 0.3982000 
1 1 1  -25    3   20 o   14.730   0.3015   14.730   0.3015  ?   ?       ?      ? 
1 1 1  -25    3   21 o   14.690   0.2602   14.710   0.3659   14.660   0.3700 0.5070000E-01 0.5204000 
1 1 1  -25    3   22 o   21.740   0.2015   21.720   0.2865   21.760   0.2834 -0.4489000E-01 0.4029000 
1 1 1  -25    3   23 o   5.3700   0.4601   4.8590   0.6746   5.8810   0.6260 -1.022000 0.9203000 
1 1 1  -25    3   24 o   5.3920   0.4786   6.0370   0.5332   4.7470   0.7949 1.290000 0.9572000 
1 1 1  -25    3   25 o   12.440   0.2724   12.400   0.3588   12.480   0.4101 -0.7596000E-01 0.5449000 
1 1 1  -25    3   26 o   5.6360   0.5667   6.1810   0.6186   5.0900   0.9498 1.091000 1.133000 
1 1 1  -25    3   27 o   4.9460   0.5313   5.3030   0.6430   4.5890   0.8459 0.7137000 1.063000 
1 1 1  -25    3   28 o   2.1070   0.6423   2.1890   0.9179   2.0250   0.8988 0.1639000 1.285000 
1 1 1  -25    3   29 o   2.9290   0.7158   3.0560   0.9921   2.8020   1.0320 0.2539000 1.432000 
1 1 1  -25    3   30 f   7.0770   0.4411   5.9960   0.6133   8.1570   0.6342 -2.162000 0.8822000 
1 1 1  -25    3   31 o   8.3910   0.3465   8.6440   0.4477   8.1390   0.5290 0.5048000 0.6930000 
1 1 1  -25    3   32 o   2.9350   0.7293   3.2170   1.0320   2.6530   1.0310 0.5640000 1.459000 
1 1 1  -25    3   33 o   2.9060   0.7736   1.9090   0.9568   3.9020   1.2160 -1.993000 1.547000 
1 1 1  -25    5    1 f   21.270   0.2002   21.520   0.2730   21.020   0.2931 0.5035000 0.4005000 
1 1 1  -25    5    2 o   26.490   0.1958   25.840   0.2974   27.140   0.2549 -1.306000 0.3917000 
1 1 1  -25    5    3 o   29.700   0.2035   29.650   0.3359   29.760   0.2299 -0.1071000 0.4070000 
1 1 1  -25    5    4 o   28.340   0.1970   28.160   0.3248   28.510   0.2231 -0.3532000 0.3941000 
1 1 1  -25    5    5 o   23.720   0.1769   23.930   0.2949   23.510   0.1957 0.4154000 0.3539000 
1 1 1  -25    5    6 o   15.470   0.1775   15.470   0.2461   15.470   0.2558 -0.4211000E-02 0.3550000 
1 1 1  -25    5    7 o   34.650   0.2413   34.630   0.3757   34.680   0.3030 -0.5053000E-01 0.4826000 
1 1 1  -25    5    8 o   38.480   0.2348   38.570   0.3334   38.380   0.3306 0.1917000 0.4696000 
1 1 1  -25    5    9 o   21.420   0.1963   21.730   0.2834   21.120   0.2716 0.6031000 0.3926000 
1 1 1  -25    5   10 o   42.900   0.3172   42.570   0.4470   43.230   0.4503 -0.6629000 0.6345000 
1 1 1  -25    5   11 o   32.410   0.2095   32.260   0.2965   32.570   0.2961 -0.3117000 0.4190000 
1 1 1  -25    5   12 o   41.020   0.3541   41.080   0.3581   40.970   0.6109 0.1125000 0.7081000 
1 1 1  -25    5   13 o   50.390   0.4284   50.390   0.4284  ?   ?       ?      ? 
1 1 1  -25    5   14 o   35.080   0.3067   34.970   0.2752   35.200   0.5483 -0.2341000 0.6135000 
1 1 1  -25    5   15 o   14.500   0.1807   14.450   0.2339   14.560   0.2755 -0.1145000 0.3614000 
1 1 1  -25    5   16 o   22.200   0.1750   22.550   0.2304   21.860   0.2635 0.6855000 0.3500000 
1 1 1  -25    5   17 o   8.0780   0.2872   7.8580   0.3930   8.2980   0.4189 -0.4399000 0.5744000 
1 1 1  -25    5   18 o   22.240   0.1819   22.110   0.2396   22.370   0.2738 -0.2665000 0.3638000 
1 1 1  -25    5   19 o   20.670   0.2005   20.450   0.2890   20.890   0.2779 -0.4416000 0.4010000 
1 1 1  -25    5   20 o   30.860   0.2456   31.210   0.3127   30.510   0.3789 0.6972000 0.4913000 
1 1 1  -25    5   21 o   22.630   0.1993   22.350   0.2825   22.910   0.2813 -0.5656000 0.3987000 
1 1 1  -25    5   22 o   18.570   0.1923   18.400   0.2576   18.730   0.2856 -0.3247000 0.3846000 
1 1 1  -25    5   23 o   14.630   0.2100   14.410   0.2837   14.840   0.3097 -0.4301000 0.4200000 
1 1 1  -25    5   24 o   7.0590   0.4145   6.9620   0.5719   7.1560   0.6002 -0.1936000 0.8290000 
1 1 1  -25    5   25 o   3.8050   0.7288   3.4670   1.0510   4.1440   1.0110 -0.6774000 1.458000 
1 1 1  -25    5   26 o   5.1470   0.6186   6.0960   0.6385   4.1980   1.0600 1.897000 1.237000 
1 1 1  -25    5   27 o   7.0600   0.3800   7.1510   0.5008   6.9690   0.5718 0.1816000 0.7601000 
1 1 1  -25    5   28 o   17.210   0.2474   17.450   0.2880   16.970   0.4024 0.4842000 0.4948000 
1 1 1  -25    5   29 o   14.280   0.2724   14.470   0.3152   14.080   0.4442 0.3897000 0.5447000 
1 1 1  -25    5   30 o   2.5230   0.6779   1.8850   0.8581   3.1600   1.0500 -1.275000 1.356000 
1 1 1  -25    5   31 o   5.4920   0.5389   4.4290   0.8699   6.5540   0.6364 -2.125000 1.078000 
1 1 1  -25    5   32 f   3.0210   0.7597   3.7460   1.1010   2.2970   1.0470 1.449000 1.519000 
1 1 1  -25    5   33 o   3.8000   0.7295   2.9030   1.1140   4.6970   0.9419 -1.795000 1.459000 
1 1 1  -25    7    1 o   28.260   0.2755   28.460   0.4995   28.060   0.2324 0.3955000 0.5509000 
1 1 1  -25    7    2 o   27.170   0.2720   27.380   0.4804   26.960   0.2552 0.4264000 0.5440000 
1 1 1  -25    7    3 o   52.570   0.3445   50.970   0.5205   54.170   0.4514 -3.195000 0.6889000 
1 1 1  -25    7    4 o   29.820   0.2122   30.130   0.3282   29.520   0.2690 0.6102000 0.4244000 
1 1 1  -25    7    5 o   14.390   0.1953   14.370   0.2718   14.410   0.2804 -0.4326000E-01 0.3905000 
1 1 1  -25    7    6 o   7.0550   0.2484   6.7340   0.3974   7.3760   0.2982 -0.6422000 0.4969000 
1 1 1  -25    7    7 o   40.470   0.2329   40.670   0.3543   40.270   0.3024 0.4037000 0.4658000 
1 1 1  -25    7    8 o   42.200   0.2898   42.720   0.3697   41.680   0.4464 1.040000 0.5797000 
1 1 1  -25    7    9 o   12.060   0.1939   12.290   0.2743   11.830   0.2743 0.4638000 0.3879000 
1 1 1  -25    7   10 o   54.560   0.3251   54.650   0.4609   54.460   0.4588 0.1920000 0.6503000 
1 1 1  -25    7   11 o   42.370   0.2922   42.980   0.3752   41.760   0.4480 1.223000 0.5844000 
1 1 1  -25    7   12 o   20.630   0.3149   20.630   0.3149  ?   ?       ?      ? 
1 1 1  -25    7   13 o   22.180   0.1882   22.290   0.2678   22.070   0.2647 0.2156000 0.3765000 
1 1 1  -25    7   14 o   14.540   0.2793   14.490   0.2948   14.600   0.4744 -0.1027000 0.5585000 
1 1 1  -25    7   15 o   9.6040   0.3681   9.4150   0.4088   9.7920   0.6122 -0.3771000 0.7362000 
1 1 1  -25    7   16 o   22.820   0.1979   23.070   0.2813   22.570   0.2785 0.5002000 0.3959000 
1 1 1  -25    7   17 o   36.770   0.2431   36.840   0.3451   36.710   0.3424 0.1271000 0.4861000 
1 1 1  -25    7   18 o   30.580   0.2455   30.590   0.3082   30.570   0.3823 0.1889000E-01 0.4911000 
1 1 1  -25    7   19 o   25.240   0.2179   25.420   0.2525   25.060   0.3553 0.3658000 0.4359000 
1 1 1  -25    7   20 o   9.3900   0.2729   9.2370   0.3648   9.5440   0.4060 -0.3071000 0.5458000 
1 1 1  -25    7   21 o   12.140   0.2426   12.100   0.3463   12.180   0.3400 -0.7752000E-01 0.4853000 
1 1 1  -25    7   22 o   16.330   0.2020   16.390   0.2641   16.260   0.3056 0.1373000 0.4039000 
1 1 1  -25    7   23 o   10.140   0.3121   10.100   0.4224   10.190   0.4595 -0.8927000E-01 0.6241000 
1 1 1  -25    7   24 o   8.8340   0.3440   9.2190   0.4559   8.4490   0.5152 0.7701000 0.6880000 
1 1 1  -25    7   25 o   5.8360   0.5247   5.2870   0.7472   6.3840   0.7367 -1.097000 1.049000 
1 1 1  -25    7   26 o   9.5670   0.2905   9.8840   0.3690   9.2500   0.4489 0.6343000 0.5811000 
1 1 1  -25    7   27 o   3.5960   0.7245   3.1830   0.9733   4.0090   1.0740 -0.8265000 1.449000 
1 1 1  -25    7   28 o   6.9430   0.3883   6.9860   0.5236   6.9000   0.5735 0.8652000E-01 0.7765000 
1 1 1  -25    7   29 o   13.280   0.2409   13.250   0.3253   13.310   0.3554 -0.5833000E-01 0.4818000 
1 1 1  -25    7   30 f   15.210   0.2305   15.740   0.3059   14.680   0.3450 1.057000 0.4611000 
1 1 1  -25    7   31 o   6.0790   0.6064   6.8240   0.6592   5.3340   1.0180 1.490000 1.213000 
1 1 1  -25    7   32 o   6.4760   0.4584   6.6480   0.6094   6.3050   0.6850 0.3429000 0.9168000 
1 1 1  -25    7   33 o   3.1450   0.8762   3.5430   1.2940   2.7480   1.1820 0.7952000 1.752000 
1 1 1  -25    9    1 o   12.570   0.1762   12.690   0.2622   12.450   0.2355 0.2441000 0.3524000 
1 1 1  -25    9    2 o   53.810   0.2786   54.020   0.3955   53.610   0.3925 0.4193000 0.5572000 
1 1 1  -25    9    3 o   68.040   0.3457   68.130   0.4895   67.940   0.4884 0.1935000 0.6914000 
1 1 1  -25    9    4 f   17.370   0.1648   17.510   0.2517   17.230   0.2128 0.2801000 0.3296000 
1 1 1  -25    9    5 o   41.190   0.2211   41.150   0.3121   41.230   0.3131 -0.8425000E-01 0.4421000 
1 1 1  -25    9    6 o   4.9270   0.3973   5.1200   0.5862   4.7340   0.5365 0.3859000 0.7946000 
1 1 1  -25    9    7 o   24.630   0.2307   24.660   0.3255   24.600   0.3271 0.6465000E-01 0.4615000 
1 1 1  -25    9    8 o   43.020   0.2500   43.390   0.3813   42.640   0.3235 0.7566000 0.5000000 
1 1 1  -25    9    9 o   32.240   0.2177   32.650   0.3110   31.830   0.3047 0.8170000 0.4354000 
1 1 1  -25    9   10 o   36.290   0.2651   36.180   0.3344   36.410   0.4113 -0.2256000 0.5301000 
1 1 1  -25    9   11 f   26.140   0.1988   26.390   0.2830   25.890   0.2792 0.5016000 0.3976000 
1 1 1  -25    9   12 o   20.490   0.1930   20.220   0.2712   20.760   0.2747 -0.5377000 0.3861000 
1 1 1  -25    9   13 o   44.220   0.2772   44.210   0.3915   44.220   0.3926 -0.5089000E-02 0.5544000 
1 1 1  -25    9   14 o   67.540   0.4016   67.560   0.5681   67.520   0.5677 0.4253000E-01 0.8032000 
1 1 1  -25    9   15 o   9.1650   0.4364   9.3260   0.4447   9.0030   0.7510 0.3231000 0.8728000 
1 1 1  -25    9   16 o   25.650   0.3092   25.630   0.3587   25.670   0.5037 -0.4226000E-01 0.6184000 
1 1 1  -25    9   17 o   39.800   0.3893   39.620   0.4520   39.980   0.6340 -0.3568000 0.7786000 
1 1 1  -25    9   18 o   19.250   0.2101   19.220   0.3045   19.270   0.2894 -0.5196000E-01 0.4201000 
1 1 1  -25    9   19 o   25.490   0.2136   25.300   0.3055   25.680   0.2985 -0.3782000 0.4271000 
1 1 1  -25    9   20 o   6.6370   0.4717   6.1630   0.7662   7.1120   0.5504 -0.9494000 0.9433000 
1 1 1  -25    9   21 o   19.570   0.2119   19.460   0.3017   19.680   0.2977 -0.2231000 0.4239000 
1 1 1  -25    9   22 f   16.950   0.2393   17.290   0.3137   16.620   0.3615 0.6673000 0.4786000 
1 1 1  -25    9   23 o   12.050   0.2420   11.790   0.3238   12.300   0.3598 -0.5044000 0.4840000 
1 1 1  -25    9   24 o   6.1580   0.4147   5.7710   0.5902   6.5440   0.5827 -0.7723000 0.8294000 
1 1 1  -25    9   25 o   19.860   0.2440   20.190   0.3088   19.530   0.3778 0.6615000 0.4880000 
1 1 1  -25    9   26 o   5.2040   0.6458   6.5330   0.5540   3.8760   1.1670 2.657000 1.292000 
1 1 1  -25    9   27 o   4.5500   0.5896   4.5490   0.7876   4.5510   0.8777 -0.1472000E-02 1.179000 
1 1 1  -25    9   28 o   10.480   0.3417   11.530   0.3486   9.4350   0.5877 2.099000 0.6833000 
1 1 1  -25    9   29 o   3.0260   0.7182   2.6290   0.9874   3.4230   1.0430 -0.7938000 1.436000 
1 1 1  -25    9   30 o   2.2580   0.6974   2.5670   1.0400   1.9490   0.9295 0.6184000 1.395000 
1 1 1  -25    9   31 o   3.2940   0.7884   2.6750   1.0120   3.9130   1.2100 -1.238000 1.577000 
1 1 1  -25    9   32 o   4.7590   0.6528   4.7970   0.9460   4.7210   0.8998 0.7559000E-01 1.306000 
1 1 1  -25   11    1 o   39.360   0.2183   39.450   0.3094   39.270   0.3081 0.1784000 0.4367000 
1 1 1  -25   11    2 o   28.300   0.1934   28.580   0.2537   28.020   0.2921 0.5595000 0.3869000 
1 1 1  -25   11    3 o   31.540   0.1882   31.370   0.2656   31.700   0.2669 -0.3295000 0.3765000 
1 1 1  -25   11    4 o   35.780   0.2208   35.680   0.3347   35.870   0.2881 -0.1858000 0.4416000 
1 1 1  -25   11    5 o   27.390   0.1755   27.310   0.2476   27.460   0.2488 -0.1551000 0.3511000 
1 1 1  -25   11    6 o   40.510   0.2418   40.660   0.3673   40.370   0.3144 0.2872000 0.4835000 
1 1 1  -25   11    7 o   59.220   0.3318   58.820   0.4998   59.620   0.4365 -0.8041000 0.6636000 
1 1 1  -25   11    8 o   26.900   0.1929   26.940   0.2943   26.870   0.2494 0.7751000E-01 0.3857000 
1 1 1  -25   11    9 o   23.050   0.1856   23.030   0.2819   23.080   0.2415 -0.5245000E-01 0.3712000 
1 1 1  -25   11   10 o   33.950   0.2166   34.260   0.3301   33.630   0.2806 0.6235000 0.4333000 
1 1 1  -25   11   11 o   29.400   0.2165   29.530   0.3068   29.270   0.3055 0.2537000 0.4329000 
1 1 1  -25   11   12 f   7.9640   0.3602   8.3430   0.4780   7.5850   0.5391 0.7583000 0.7205000 
1 1 1  -25   11   13 o   8.6080   0.3321   8.7160   0.4668   8.5000   0.4724 0.2167000 0.6641000 
1 1 1  -25   11   14 o   19.410   0.2624   19.150   0.3619   19.670   0.3800 -0.5174000 0.5247000 
1 1 1  -25   11   15 o   34.090   0.2935   33.960   0.4117   34.220   0.4183 -0.2589000 0.5869000 
1 1 1  -25   11   16 o   13.340   0.2495   14.030   0.3431   12.650   0.3624 1.381000 0.4991000 
1 1 1  -25   11   17 o   28.670   0.3135   28.280   0.3161   29.050   0.5415 -0.7684000 0.6270000 
1 1 1  -25   11   18 o   17.350   0.3097   17.330   0.3220   17.360   0.5292 -0.2672000E-01 0.6194000 
1 1 1  -25   11   19 o   13.140   0.2745   13.230   0.4114   13.040   0.3636 0.1857000 0.5491000 
1 1 1  -25   11   20 o   20.430   0.2600   20.350   0.3805   20.500   0.3543 -0.1519000 0.5199000 
1 1 1  -25   11   21 o   20.030   0.2652   19.770   0.3903   20.290   0.3592 -0.5244000 0.5304000 
1 1 1  -25   11   22 o   15.640   0.2335   15.490   0.3367   15.790   0.3235 -0.2984000 0.4669000 
1 1 1  -25   11   23 o   17.410   0.2522   17.090   0.3309   17.730   0.3807 -0.6399000 0.5044000 
1 1 1  -25   11   24 o   10.210   0.3425   10.600   0.4264   9.8180   0.5360 0.7855000 0.6849000 
1 1 1  -25   11   25 o   13.700   0.2578   13.830   0.3680   13.570   0.3613 0.2671000 0.5157000 
1 1 1  -25   11   26 o   7.6650   0.3766   8.2360   0.4677   7.0950   0.5903 1.142000 0.7531000 
1 1 1  -25   11   27 o   7.9310   0.3566   7.9960   0.4627   7.8660   0.5428 0.1301000 0.7133000 
1 1 1  -25   11   28 o   13.550   0.2466   13.740   0.3240   13.360   0.3718 0.3881000 0.4931000 
1 1 1  -25   11   29 o   4.0100   0.7897   4.2010   1.0150   3.8190   1.2100 0.3815000 1.579000 
1 1 1  -25   11   30 o   6.5000   0.4566   6.3960   0.6194   6.6040   0.6711 -0.2076000 0.9133000 
1 1 1  -25   11   31 o   8.9180   0.3503   8.9080   0.4874   8.9280   0.5033 -0.2013000E-01 0.7006000 
1 1 1  -25   13    1 o   29.410   0.2270   28.860   0.2649   29.960   0.3688 -1.098000 0.4540000 
1 1 1  -25   13    2 o   27.370   0.1830   27.390   0.2580   27.340   0.2597 0.4938000E-01 0.3661000 
1 1 1  -25   13    3 o   5.8620   0.3931   5.6190   0.5819   6.1050   0.5287 -0.4866000 0.7863000 
1 1 1  -25   13    4 o   44.980   0.2451   45.070   0.3470   44.890   0.3462 0.1796000 0.4902000 
1 1 1  -25   13    5 o   11.640   0.2358   11.420   0.3538   11.870   0.3118 -0.4499000 0.4716000 
1 1 1  -25   13    6 o   14.890   0.1922   14.990   0.2684   14.780   0.2753 0.2104000 0.3845000 
1 1 1  -25   13    7 o   19.460   0.1949   19.400   0.2970   19.510   0.2525 -0.1120000 0.3898000 
1 1 1  -25   13    8 o   5.2320   0.5014   5.1860   0.7599   5.2790   0.6545 -0.9357000E-01 1.003000 
1 1 1  -25   13    9 o   17.060   0.2420   16.560   0.3741   17.560   0.3071 -0.9966000 0.4841000 
1 1 1  -25   13   10 o   37.100   0.2785   36.890   0.4297   37.310   0.3543 -0.4205000 0.5569000 
1 1 1  -25   13   11 o   34.360   0.2669   34.340   0.4125   34.380   0.3388 -0.4137000E-01 0.5338000 
1 1 1  -25   13   12 o   6.9140   0.4065   6.4760   0.6408   7.3520   0.5004 -0.8757000 0.8130000 
1 1 1  -25   13   13 o   28.950   0.2265   29.080   0.3192   28.830   0.3215 0.2496000 0.4530000 
1 1 1  -25   13   14 o   5.5930   0.5224   5.6500   0.7329   5.5350   0.7445 0.1144000 1.045000 
1 1 1  -25   13   15 o   15.290   0.2383   15.140   0.3425   15.440   0.3315 -0.3046000 0.4767000 
1 1 1  -25   13   16 o   33.860   0.2432   33.760   0.3438   33.960   0.3440 -0.2009000 0.4863000 
1 1 1  -25   13   17 o   10.260   0.3452   10.120   0.5340   10.400   0.4376 -0.2838000 0.6903000 
1 1 1  -25   13   18 o   22.360   0.3317   23.190   0.3933   21.540   0.5344 1.653000 0.6635000 
1 1 1  -25   13   19 o   8.3000   0.5730   8.4950   0.6718   8.1060   0.9285 0.3890000 1.146000 
1 1 1  -25   13   20 o   16.760   0.2367   16.820   0.3342   16.710   0.3352 0.1131000 0.4734000 
1 1 1  -25   13   21 o   7.0390   0.4933   7.5860   0.5766   6.4920   0.8005 1.094000 0.9865000 
1 1 1  -25   13   22 o   19.370   0.2537   19.360   0.3221   19.380   0.3920 -0.1545000E-01 0.5074000 
1 1 1  -25   13   23 o   8.0010   0.4290   8.3160   0.5364   7.6850   0.6698 0.6312000 0.8581000 
1 1 1  -25   13   24 o   6.4310   0.4587   6.4980   0.6577   6.3640   0.6396 0.1339000 0.9175000 
1 1 1  -25   13   25 o   12.660   0.2779   12.420   0.4120   12.910   0.3730 -0.4890000 0.5558000 
1 1 1  -25   13   26 o   3.3740   0.7676   3.6980   1.0990   3.0510   1.0720 0.6467000 1.535000 
1 1 1  -25   13   27 o   7.5990   0.4188   7.4350   0.6277   7.7630   0.5544 -0.3279000 0.8375000 
1 1 1  -25   13   28 o   2.5500   0.7882   2.4990   1.1060   2.6010   1.1230 -0.1024000 1.576000 
1 1 1  -25   13   29 o   8.1800   0.3823   8.8670   0.4800   7.4930   0.5951 1.374000 0.7646000 
1 1 1  -25   13   30 o   17.240   0.2416   17.350   0.3288   17.130   0.3539 0.2190000 0.4831000 
1 1 1  -25   15    1 o   12.040   0.2437   12.220   0.3436   11.860   0.3458 0.3562000 0.4875000 
1 1 1  -25   15    2 o   8.5910   0.3131   8.9170   0.4279   8.2640   0.4573 0.6531000 0.6262000 
1 1 1  -25   15    3 o   16.910   0.1968   17.090   0.2765   16.730   0.2802 0.3657000 0.3936000 
1 1 1  -25   15    4 o   30.570   0.2002   30.360   0.2817   30.780   0.2846 -0.4249000 0.4004000 
1 1 1  -25   15    5 o   16.270   0.2011   15.760   0.2879   16.780   0.2807 -1.017000 0.4021000 
1 1 1  -25   15    6 o   30.240   0.1977   29.950   0.2781   30.540   0.2811 -0.5965000 0.3954000 
1 1 1  -25   15    7 o   4.1910   0.6680   3.8380   1.0500   4.5430   0.8264 -0.7052000 1.336000 
1 1 1  -25   15    8 o   16.830   0.2166   16.800   0.3293   16.870   0.2815 -0.7055000E-01 0.4332000 
1 1 1  -25   15    9 o   14.850   0.2288   15.080   0.3465   14.620   0.2990 0.4518000 0.4577000 
1 1 1  -25   15   10 o   15.680   0.2277   15.930   0.3461   15.420   0.2960 0.5132000 0.4554000 
1 1 1  -25   15   11 o   19.880   0.2067   19.990   0.3136   19.770   0.2693 0.2218000 0.4134000 
1 1 1  -25   15   12 o   16.190   0.2217   16.200   0.3367   16.170   0.2883 0.2918000E-01 0.4433000 
1 1 1  -25   15   13 o   11.520   0.2666   11.370   0.4102   11.670   0.3408 -0.3059000 0.5333000 
1 1 1  -25   15   14 o   6.5950   0.5207   7.0540   0.7428   6.1370   0.7299 0.9167000 1.041000 
1 1 1  -25   15   15 o   6.0110   0.8259   5.1560   1.4500   6.8660   0.7905 -1.710000 1.652000 
1 1 1  -25   15   16 o   7.5120   0.5079   7.4980   0.7518   7.5260   0.6830 -0.2872000E-01 1.016000 
1 1 1  -25   15   17 o   16.660   0.2374   16.530   0.3349   16.800   0.3366 -0.2659000 0.4748000 
1 1 1  -25   15   18 o   19.340   0.2289   19.470   0.3209   19.210   0.3264 0.2563000 0.4578000 
1 1 1  -25   15   19 o   9.5430   0.6306   10.350   0.4513   8.7390   1.1780 1.609000 1.261000 
1 1 1  -25   15   20 o   7.5370   0.5777   7.5370   0.5777  ?   ?       ?      ? 
1 1 1  -25   15   21 o   10.160   0.4444   10.470   0.4493   9.8570   0.7669 0.6081000 0.8888000 
1 1 1  -25   15   22 o   12.420   0.2786   12.470   0.3963   12.380   0.3917 0.8978000E-01 0.5572000 
1 1 1  -25   15   23 o   9.9300   0.3303   9.6510   0.4760   10.210   0.4581 -0.5586000 0.6606000 
1 1 1  -25   15   24 o   9.8190   0.3370   10.080   0.4779   9.5600   0.4752 0.5171000 0.6739000 
1 1 1  -25   15   25 o   15.960   0.2530   16.230   0.3599   15.680   0.3557 0.5486000 0.5060000 
1 1 1  -25   15   26 o   6.8720   0.5968   6.5120   0.8717   7.2330   0.8153 -0.7212000 1.194000 
1 1 1  -25   15   27 f   6.2600   0.6593   6.7450   0.8119   5.7760   1.0390 0.9687000 1.319000 
1 1 1  -25   15   28 f   4.9160   0.6638   5.2970   0.8680   4.5340   1.0040 0.7625000 1.328000 
1 1 1  -25   15   29 o   4.2960   0.6385   2.5300   1.0600   6.0610   0.7125 -3.531000 1.277000 
1 1 1  -25   17    1 o   13.130   0.2634   13.010   0.3382   13.260   0.4040 -0.2446000 0.5269000 
1 1 1  -25   17    2 o   17.730   0.2032   17.870   0.2838   17.580   0.2907 0.2861000 0.4063000 
1 1 1  -25   17    3 o   20.350   0.1960   20.330   0.2765   20.370   0.2778 -0.4327000E-01 0.3919000 
1 1 1  -25   17    4 o   10.890   0.2663   10.920   0.3757   10.860   0.3775 0.5360000E-01 0.5326000 
1 1 1  -25   17    5 o   4.3120   0.6224   4.9430   0.7605   3.6810   0.9855 1.262000 1.245000 
1 1 1  -25   17    6 o   8.3190   0.3237   8.4710   0.4483   8.1670   0.4670 0.3032000 0.6473000 
1 1 1  -25   17    7 o   16.950   0.2210   16.980   0.3360   16.920   0.2871 0.6731000E-01 0.4419000 
1 1 1  -25   17    8 o   17.810   0.2199   17.630   0.3333   18.000   0.2869 -0.3692000 0.4398000 
1 1 1  -25   17    9 o   8.1040   0.4642   7.6210   0.7495   8.5870   0.5478 -0.9660000 0.9284000 
1 1 1  -25   17   10 o   14.820   0.3000   14.140   0.4808   15.500   0.3589 -1.362000 0.6000000 
1 1 1  -25   17   11 o   7.2520   0.7237   7.1490   1.2570   7.3550   0.7170 -0.2063000 1.447000 
1 1 1  -25   17   12 o   14.270   0.2915   14.060   0.4633   14.480   0.3538 -0.4153000 0.5829000 
1 1 1  -25   17   13 f   16.640   0.2262   16.470   0.3456   16.800   0.2920 -0.3306000 0.4524000 
1 1 1  -25   17   14 o   20.280   0.2126   20.270   0.3220   20.300   0.2778 -0.2517000E-01 0.4253000 
1 1 1  -25   17   15 o   6.0860   0.4999   5.6410   0.8080   6.5300   0.5887 -0.8893000 0.9997000 
1 1 1  -25   17   16 o   7.3900   0.4283   7.3780   0.5944   7.4020   0.6169 -0.2380000E-01 0.8567000 
1 1 1  -25   17   17 f   14.900   0.2839   14.870   0.3606   14.940   0.4385 -0.6892000E-01 0.5677000 
1 1 1  -25   17   18 f   8.0790   0.4339   7.9040   0.5704   8.2540   0.6539 -0.3497000 0.8677000 
1 1 1  -25   17   19 o   15.380   0.2861   15.410   0.3658   15.340   0.4401 0.6569000E-01 0.5723000 
1 1 1  -25   17   20 o   3.6850   0.8419   3.4780   1.0920   3.8920   1.2810 -0.4139000 1.684000 
1 1 1  -25   17   21 o   10.090   0.4716   9.7260   0.4815   10.460   0.8111 -0.7368000 0.9433000 
1 1 1  -25   17   22 o   3.6130   0.8981   3.5650   1.0850   3.6610   1.4320 -0.9599000E-01 1.796000 
1 1 1  -25   17   23 o   5.0780   0.6283   4.4460   0.9808   5.7090   0.7855 -1.263000 1.257000 
1 1 1  -25   17   24 o   4.5970   0.8256   3.7820   1.2380   5.4120   1.0920 -1.630000 1.651000 
1 1 1  -25   17   25 o   5.1580   0.7875   4.9770   1.1060   5.3390   1.1210 -0.3623000 1.575000 
1 1 1  -25   17   26 o   9.7760   0.3565   10.150   0.4974   9.4030   0.5108 0.7469000 0.7129000 
1 1 1  -25   17   27 o   2.5350   0.7471   2.6630   1.0830   2.4070   1.0300 0.2564000 1.494000 
1 1 1  -25   17   28 o   2.9270   0.7691   2.4640   1.0540   3.3900   1.1210 -0.9269000 1.538000 
1 1 1  -25   19    1 o   14.140   0.2349   14.200   0.3248   14.070   0.3393 0.1260000 0.4697000 
1 1 1  -25   19    2 o   2.6370   0.7206   2.5540   1.0020   2.7210   1.0360 -0.1666000 1.441000 
1 1 1  -25   19    3 o   8.9620   0.3229   9.3230   0.4358   8.6020   0.4767 0.7207000 0.6458000 
1 1 1  -25   19    4 o   8.5100   0.3369   8.6580   0.4683   8.3610   0.4845 0.2972000 0.6738000 
1 1 1  -25   19    5 o   10.370   0.2865   10.360   0.4009   10.380   0.4094 -0.2440000E-01 0.5730000 
1 1 1  -25   19    6 o   14.860   0.2211   15.000   0.3071   14.720   0.3181 0.2780000 0.4421000 
1 1 1  -25   19    7 o   9.9070   0.3168   9.8740   0.4785   9.9410   0.4153 -0.6697000E-01 0.6336000 
1 1 1  -25   19    8 o   11.350   0.2892   10.900   0.4458   11.810   0.3685 -0.9108000 0.5784000 
1 1 1  -25   19    9 o   12.630   0.2667   12.940   0.3971   12.310   0.3561 0.6253000 0.5334000 
1 1 1  -25   19   10 o   16.330   0.2341   16.320   0.3596   16.340   0.2998 -0.1491000E-01 0.4682000 
1 1 1  -25   19   11 o   6.4810   0.4687   7.1020   0.6536   5.8610   0.6720 1.241000 0.9375000 
1 1 1  -25   19   12 o   8.4320   0.3599   8.2670   0.5502   8.5980   0.4641 -0.3314000 0.7198000 
1 1 1  -25   19   13 o   7.0830   0.4162   7.2020   0.6232   6.9650   0.5517 0.2377000 0.8324000 
1 1 1  -25   19   14 o   5.3180   0.5487   5.7050   0.7723   4.9310   0.7795 0.7735000 1.097000 
1 1 1  -25   19   15 o   11.820   0.3306   11.860   0.4197   11.790   0.5108 0.6928000E-01 0.6611000 
1 1 1  -25   19   16 o   11.620   0.3278   11.770   0.4183   11.470   0.5048 0.3031000 0.6556000 
1 1 1  -25   19   17 o   4.9750   0.6395   5.4880   0.8157   4.4620   0.9851 1.025000 1.279000 
1 1 1  -25   19   18 o   4.6000   0.6981   4.6280   0.9576   4.5710   1.0160 0.5755000E-01 1.396000 
1 1 1  -25   19   19 o   3.3960   0.7809   3.3320   1.1020   3.4600   1.1060 -0.1275000 1.562000 
1 1 1  -25   19   20 o   7.3350   0.4459   7.3470   0.6282   7.3230   0.6331 0.2370000E-01 0.8919000 
1 1 1  -25   19   21 o   11.730   0.3120   12.030   0.4305   11.440   0.4516 0.5921000 0.6239000 
1 1 1  -25   19   22 o   6.7040   0.8167   7.5780   0.7685   5.8300   1.4410 1.748000 1.633000 
1 1 1  -25   19   23 o   4.0270   0.8671   4.7610   1.0200   3.2930   1.4030 1.469000 1.734000 
1 1 1  -25   19   24 o   6.2880   0.5534   6.2360   0.7908   6.3390   0.7743 -0.1034000 1.107000 
1 1 1  -25   19   25 o   8.8120   0.4035   8.5110   0.5891   9.1130   0.5514 -0.6014000 0.8069000 
1 1 1  -25   19   26 o   1.9630   0.6501   1.9630   0.9225   1.9640   0.9161 -0.1232000E-02 1.300000 
1 1 1  -25   21    1 o   7.7540   0.3753   8.1180   0.4966   7.3890   0.5629 0.7296000 0.7507000 
1 1 1  -25   21    2 o   8.8160   0.3343   8.3730   0.4826   9.2590   0.4628 -0.8861000 0.6686000 
1 1 1  -25   21    3 o   7.4870   0.3820   8.0890   0.4902   6.8860   0.5859 1.203000 0.7640000 
1 1 1  -25   21    4 o   6.6450   0.4288   6.7710   0.5955   6.5180   0.6172 0.2537000 0.8576000 
1 1 1  -25   21    5 o   5.9530   0.4734   5.9490   0.6584   5.9580   0.6804 -0.8868000E-02 0.9468000 
1 1 1  -25   21    6 o   4.4780   0.6302   3.5050   1.0240   5.4500   0.7349 -1.946000 1.260000 
1 1 1  -25   21    7 f   2.9370   0.7017   3.5160   1.0030   2.3580   0.9814 1.157000 1.403000 
1 1 1  -25   21    8 o   6.3790   0.4750   6.6570   0.6942   6.1010   0.6485 0.5559000 0.9500000 
1 1 1  -25   21    9 o   2.4020   0.7129   2.4320   1.0340   2.3730   0.9820 0.5895000E-01 1.426000 
1 1 1  -25   21   10 o   4.9700   0.6675   3.8910   1.1120   6.0480   0.7386 -2.157000 1.335000 
1 1 1  -25   21   11 o   10.250   0.3393   9.9730   0.5007   10.520   0.4580 -0.5511000 0.6786000 
1 1 1  -25   21   12 o   8.2500   0.4050   7.7910   0.6136   8.7090   0.5289 -0.9179000 0.8100000 
1 1 1  -25   21   13 o   9.7440   0.3951   9.6630   0.5004   9.8240   0.6116 -0.1613000 0.7903000 
1 1 1  -25   21   14 o   7.8480   0.4727   8.1820   0.5650   7.5140   0.7580 0.6685000 0.9454000 
1 1 1  -25   21   15 o   9.1190   0.3433   9.5030   0.4976   8.7350   0.4731 0.7687000 0.6866000 
1 1 1  -25   21   16 o   10.450   0.3101   10.370   0.4665   10.530   0.4086 -0.1546000 0.6202000 
1 1 1  -25   21   17 o   3.4030   0.7082   2.5990   1.0480   4.2070   0.9530 -1.609000 1.416000 
1 1 1  -25   21   18 o   4.8190   0.6532   4.0400   1.0780   5.5980   0.7385 -1.558000 1.306000 
1 1 1  -25   21   19 o   6.9720   0.5400   6.3020   0.8590   7.6420   0.6546 -1.341000 1.080000 
1 1 1  -25   21   20 o   5.1230   0.7962   5.0960   1.0830   5.1510   1.1670 -0.5518000E-01 1.592000 
1 1 1  -25   21   21 o   2.9190   0.7750   2.7050   1.0820   3.1330   1.1090 -0.4278000 1.550000 
1 1 1  -25   21   22 o   3.6930   0.7253   4.8640   0.9987   2.5210   1.0520 2.344000 1.451000 
1 1 1  -25   21   23 o   3.7370   0.9507   3.1820   1.1310   4.2910   1.5280 -1.108000 1.901000 
1 1 1  -25   21   24 o   2.5770   0.8038   2.7400   1.1110   2.4140   1.1620 0.3260000 1.608000 
1 1 1  -25   23    1 o   3.7130   0.6872   4.5860   0.8761   2.8410   1.0590 1.745000 1.374000 
1 1 1  -25   23    2 o   8.4770   0.3516   8.4790   0.4912   8.4750   0.5031 0.4607000E-02 0.7032000 
1 1 1  -25   23    3 o   4.1940   0.6728   4.1070   0.9394   4.2810   0.9635 -0.1734000 1.346000 
1 1 1  -25   23    4 o   11.990   0.2684   11.900   0.3735   12.070   0.3855 -0.1695000 0.5367000 
1 1 1  -25   23    5 o   12.050   0.2685   11.700   0.3831   12.400   0.3764 -0.6959000 0.5371000 
1 1 1  -25   23    6 o   10.790   0.2880   10.940   0.3992   10.640   0.4152 0.2957000 0.5760000 
1 1 1  -25   23    7 o   6.8800   0.4124   6.8710   0.5687   6.8890   0.5974 -0.1781000E-01 0.8248000 
1 1 1  -25   23    8 o   2.7550   0.7441   2.5660   1.0580   2.9430   1.0460 -0.3770000 1.488000 
1 1 1  -25   23    9 o   4.0340   0.7158   3.5030   1.1210   4.5640   0.8909 -1.062000 1.432000 
1 1 1  -25   23   10 o   3.6070   0.8515   3.4510   1.1310   3.7640   1.2730 -0.3129000 1.703000 
1 1 1  -25   23   11 o   7.5480   0.5056   7.7060   0.6263   7.3910   0.7940 0.3148000 1.011000 
1 1 1  -25   23   12 o   4.1560   0.7454   3.4830   1.1150   4.8290   0.9896 -1.346000 1.491000 
1 1 1  -25   23   13 o   5.4280   0.5628   5.2720   0.8683   5.5850   0.7162 -0.3133000 1.126000 
1 1 1  -25   23   14 o   7.5720   0.5018   7.4820   0.7525   7.6620   0.6641 -0.1803000 1.004000 
1 1 1  -25   23   15 o   2.7070   0.7906   2.8300   1.1530   2.5830   1.0820 0.2470000 1.581000 
1 1 1  -25   23   16 o   5.8600   0.6486   5.7050   0.9991   6.0150   0.8273 -0.3103000 1.297000 
1 1 1  -25   23   17 o   4.1980   0.7155   4.4300   1.0230   3.9650   1.0010 0.4655000 1.431000 
1 1 1  -25   23   18 o   4.8820   0.6413   5.1830   0.9076   4.5810   0.9062 0.6010000 1.283000 
1 1 1  -25   23   19 f   4.7460   0.6739   4.1040   1.0870   5.3870   0.7966 -1.283000 1.348000 
1 1 1  -25   23   20 o   4.5980   0.6778   3.5920   1.1340   5.6050   0.7423 -2.013000 1.356000 
1 1 1  -25   23   21 o   3.0980   0.7735   2.8840   1.1140   3.3120   1.0740 -0.4286000 1.547000 
1 1 1  -25   23   22 o   2.9600   0.8530   2.3930   1.1060   3.5260   1.2990 -1.133000 1.706000 
1 1 1  -25   25    1 o   3.7850   0.8014   3.7310   1.1210   3.8390   1.1460 -0.1080000 1.603000 
1 1 1  -25   25    2 o   4.3550   0.7421   4.5630   1.0130   4.1460   1.0850 0.4174000 1.484000 
1 1 1  -25   25    3 o   3.4470   0.7993   3.5470   1.1270   3.3480   1.1340 0.1985000 1.599000 
1 1 1  -25   25    4 o   3.7500   0.7818   4.1780   1.0650   3.3220   1.1450 0.8561000 1.564000 
1 1 1  -25   25    5 o   6.3240   0.5447   7.0220   0.6729   5.6270   0.8566 1.395000 1.089000 
1 1 1  -25   25    6 o   8.5540   0.4093   8.0900   0.5953   9.0170   0.5620 -0.9266000 0.8187000 
1 1 1  -25   25    7 o   9.9140   0.4089   10.490   0.4731   9.3330   0.6671 1.162000 0.8178000 
1 1 1  -25   25    8 o   11.350   0.4985   11.150   0.5551   11.550   0.8281 -0.3983000 0.9969000 
1 1 1  -25   25    9 o   2.6280   0.8468   2.1430   1.0010   3.1130   1.3660 -0.9696000 1.694000 
1 1 1  -25   25   10 o   2.8610   0.8034   3.1990   1.2000   2.5230   1.0680 0.6766000 1.607000 
1 1 1  -25   25   11 o   6.8540   0.4677   6.7950   0.7180   6.9120   0.5997 -0.1175000 0.9355000 
1 1 1  -25   25   12 o   2.9010   0.7489   2.5510   1.0750   3.2510   1.0430 -0.6999000 1.498000 
1 1 1  -25   25   13 o   6.8300   0.4561   7.0170   0.6767   6.6420   0.6116 0.3752000 0.9121000 
1 1 1  -25   25   14 o   4.4890   0.6811   3.6650   1.1230   5.3120   0.7709 -1.646000 1.362000 
1 1 1  -25   25   15 f   5.7190   0.5945   5.0910   0.9951   6.3480   0.6509 -1.257000 1.189000 
1 1 1  -25   25   16 o   4.4330   0.7190   4.7180   1.0260   4.1480   1.0080 0.5702000 1.438000 
1 1 1  -25   25   17 f   2.3780   0.7103   2.1120   0.9594   2.6450   1.0480 -0.5327000 1.421000 
1 1 1  -25   25   18 o   4.6990   0.6936   4.2930   1.1040   5.1040   0.8401 -0.8103000 1.387000 
1 1 1  -25   25   19 o   2.5320   0.8513   2.6060   1.2400   2.4580   1.1670 0.1473000 1.703000 
1 1 1  -25   27    1 o   3.2080   0.7158   4.0760   1.0280   2.3410   0.9967 1.735000 1.432000 
1 1 1  -25   27    2 o   5.3730   0.5859   4.7460   0.9266   5.9990   0.7171 -1.253000 1.172000 
1 1 1  -25   27    3 o   4.2020   0.6721   5.3770   0.8039   3.0270   1.0770 2.349000 1.344000 
1 1 1  -25   27    4 o   2.7980   0.7698   2.5490   1.0330   3.0470   1.1420 -0.4982000 1.540000 
1 1 1  -25   27    5 o   2.1030   0.6976   1.8160   0.8630   2.3900   1.0960 -0.5736000 1.395000 
1 1 1  -25   27    6 o   3.8360   0.7557   2.3040   0.9959   5.3670   1.1370 -3.063000 1.511000 
1 1 1  -25   27    7 o   2.5790   0.7476   2.9630   1.1430   2.1940   0.9635 0.7687000 1.495000 
1 1 1  -25   27    8 o   3.8060   0.7582   4.5470   1.0760   3.0650   1.0680 1.482000 1.516000 
1 1 1  -25   27    9 o   5.1960   0.6301   5.2060   0.9565   5.1870   0.8205 0.1922000E-01 1.260000 
1 1 1  -25   27   10 o   2.1700   0.6878   2.6190   1.1030   1.7210   0.8213 0.8974000 1.376000 
1 1 1  -25   27   11 o   2.3170   0.7149   2.7370   1.1280   1.8970   0.8790 0.8393000 1.430000 
1 1 1  -25   27   12 o   2.3300   0.7199   2.5670   1.0930   2.0940   0.9369 0.4727000 1.440000 
1 1 1  -25   27   13 o   2.7380   0.7577   2.6310   1.0870   2.8440   1.0560 -0.2127000 1.515000 
1 1 1  -25   27   14 o   3.0810   0.9179   3.0740   1.3710   3.0870   1.2210 -0.1251000E-01 1.836000 
1 1 1  -25   27   15 o   1.8930   0.9499  ?   ?    1.8930   0.9499      ?      ? 
1 1 1  -25   29    1 o   1.7230   0.6176   1.5040   0.7543   1.9420   0.9782 -0.4383000 1.235000 
1 1 1  -25   29    2 o   2.5260   0.8436   2.2800   1.0740   2.7720   1.3010 -0.4921000 1.687000 
1 1 1  -25   29    3 o   2.6180   0.8261   2.4740   1.1260   2.7610   1.2090 -0.2871000 1.652000 
1 1 1  -25   29    4 o   2.8310   0.8597   2.6480   1.1740   3.0150   1.2560 -0.3673000 1.719000 
1 1 1  -25   29    5 o   2.2820   0.7476   1.8510   0.9151   2.7120   1.1820 -0.8609000 1.495000 
1 1 1  -25   29    6 o   2.6630   0.8274   2.8210   1.2140   2.5050   1.1250 0.3162000 1.655000 
1 1 1  -25   29    7 o   2.7010   0.8719   2.6350   1.2670   2.7670   1.1980 -0.1322000 1.744000 
1 1 1  -25   29    8 o   2.4510   0.7867   2.2300   1.0960   2.6710   1.1290 -0.4409000 1.573000 
1 1 1  -24    0    1 f   19.660   0.2358   19.660   0.2358   19.660   0.2358 -0.000000 0.000000 
1 1 1  -24    0    2 o   17.470   0.2124   17.470   0.2124   17.470   0.2124 -0.000000 0.000000 
1 1 1  -24    0    3 o   45.420   0.3736   45.420   0.3736   45.420   0.3736 -0.000000 0.000000 
1 1 1  -24    0    4 o   18.530   0.2081   18.530   0.2081   18.530   0.2081 -0.000000 0.000000 
1 1 1  -24    0    5 o   19.330   0.1737   19.330   0.1737   19.330   0.1737 -0.000000 0.000000 
1 1 1  -24    0    6 o   15.140   0.1858   15.140   0.1858   15.140   0.1858 -0.000000 0.000000 
1 1 1  -24    0    7 f   22.540   0.2021   22.540   0.2021   22.540   0.2021 -0.000000 0.000000 
1 1 1  -24    0    8 o   15.210   0.2118   15.210   0.2118   15.210   0.2118 -0.000000 0.000000 
1 1 1  -24    0    9 o   30.020   0.2258   30.020   0.2258   30.020   0.2258 -0.000000 0.000000 
1 1 1  -24    0   10 o   13.050   0.2311   13.050   0.2311   13.050   0.2311 -0.000000 0.000000 
1 1 1  -24    0   11 o   14.270   0.2463   14.270   0.2463   14.270   0.2463 -0.000000 0.000000 
1 1 1  -24    0   12 o   22.580   0.2777   22.580   0.2777   22.580   0.2777 -0.000000 0.000000 
1 1 1  -24    0   13 o   5.8470   0.5282   5.8470   0.5282   5.8470   0.5282 -0.000000 0.000000 
1 1 1  -24    0   14 o   51.740   0.3763   51.740   0.3763   51.740   0.3763 -0.000000 0.000000 
1 1 1  -24    0   15 f   18.550   0.3012   18.550   0.3012   18.550   0.3012 -0.000000 0.000000 
1 1 1  -24    0   16 o   23.360   0.2230   23.360   0.2230   23.360   0.2230 -0.000000 0.000000 
1 1 1  -24    0   17 o   31.740   0.2617   31.740   0.2617   31.740   0.2617 -0.000000 0.000000 
1 1 1  -24    0   18 o   14.970   0.2508   14.970   0.2508   14.970   0.2508 -0.000000 0.000000 
1 1 1  -24    0   19 o   67.440   0.4878   67.440   0.4878   67.440   0.4878 -0.000000 0.000000 
1 1 1  -24    0   20 o   7.4850   0.4243   7.4850   0.4243   7.4850   0.4243 -0.000000 0.000000 
1 1 1  -24    0   21 o   11.950   0.4020   11.950   0.4020   11.950   0.4020 -0.000000 0.000000 
1 1 1  -24    0   22 o   28.610   0.2619   28.610   0.2619   28.610   0.2619 -0.000000 0.000000 
1 1 1  -24    0   23 o   16.400   0.2583   16.400   0.2583   16.400   0.2583 -0.000000 0.000000 
1 1 1  -24    0   24 o   7.4900   0.4363   7.4900   0.4363   7.4900   0.4363 -0.000000 0.000000 
1 1 1  -24    0   25 o   30.930   0.2791   30.930   0.2791   30.930   0.2791 -0.000000 0.000000 
1 1 1  -24    0   26 o   22.560   0.3662   22.560   0.3662   22.560   0.3662 -0.000000 0.000000 
1 1 1  -24    0   27 o   20.880   0.2621   20.880   0.2621   20.880   0.2621 -0.000000 0.000000 
1 1 1  -24    0   28 o   5.5040   0.6491   5.5040   0.6491   5.5040   0.6491 -0.000000 0.000000 
1 1 1  -24    0   29 o   4.4510   0.8780   4.4510   0.8780   4.4510   0.8780 -0.000000 0.000000 
1 1 1  -24    0   30 f   2.2230   1.1790   2.2230   1.1790   2.2230   1.1790 -0.000000 0.000000 
1 1 1  -24    0   31 o   1.8380   1.1230   1.8380   1.1230   1.8380   1.1230 -0.000000 0.000000 
1 1 1  -24    0   32 o   1.9870   1.1770   1.9870   1.1770   1.9870   1.1770 -0.000000 0.000000 
1 1 1  -24    0   33 o   2.9290   1.6970   2.9290   1.6970   2.9290   1.6970 -0.000000 0.000000 
1 1 1  -24    0   34 o   1.7460   1.2370   1.7460   1.2370   1.7460   1.2370 -0.000000 0.000000 
1 1 1  -24    2    1 o   14.080   0.1344   13.890   0.2096   14.280   0.1683 -0.3904000 0.2688000 
1 1 1  -24    2    2 o   18.360   0.1687   18.330   0.2881   18.390   0.1757 -0.5829000E-01 0.3375000 
1 1 1  -24    2    3 o   24.730   0.2170  ?   ?    24.730   0.2170      ?      ? 
1 1 1  -24    2    4 o   30.050   0.3205   29.780   0.4466   30.320   0.4597 -0.5413000 0.6409000 
1 1 1  -24    2    5 o   15.550   0.2226   15.380   0.3032   15.730   0.3259 -0.3541000 0.4452000 
1 1 1  -24    2    6 o   13.190   0.1872  ?   ?    13.190   0.1872      ?      ? 
1 1 1  -24    2    7 o   16.470   0.1154   16.510   0.1501   16.430   0.1752 0.8539000E-01 0.2307000 
1 1 1  -24    2    8 o   17.550   0.1491   17.440   0.2329   17.660   0.1861 -0.2207000 0.2981000 
1 1 1  -24    2    9 o   27.290   0.1946   27.250   0.3021   27.340   0.2453 -0.9143000E-01 0.3892000 
1 1 1  -24    2   10 o   33.120   0.2286   32.780   0.3526   33.450   0.2912 -0.6742000 0.4572000 
1 1 1  -24    2   11 o   15.890   0.1630   16.090   0.2064   15.690   0.2523 0.4056000 0.3260000 
1 1 1  -24    2   12 o   26.900   0.2515   27.010   0.2539   26.800   0.4341 0.2066000 0.5029000 
1 1 1  -24    2   13 f   35.420   0.3138   35.420   0.3138  ?   ?       ?      ? 
1 1 1  -24    2   14 o   74.620   0.4615   74.710   0.5329   74.520   0.7536 0.1859000 0.9230000 
1 1 1  -24    2   15 o   16.690   0.1943   17.020   0.2978   16.370   0.2496 0.6521000 0.3886000 
1 1 1  -24    2   16 o   36.620   0.2190   36.350   0.2847   36.900   0.3330 -0.5492000 0.4381000 
1 1 1  -24    2   17 o   14.390   0.1836   14.550   0.2432   14.220   0.2750 0.3323000 0.3671000 
1 1 1  -24    2   18 o   17.320   0.1796   17.000   0.2396   17.630   0.2678 -0.6321000 0.3593000 
1 1 1  -24    2   19 o   19.730   0.1799   19.430   0.2387   20.020   0.2693 -0.5903000 0.3599000 
1 1 1  -24    2   20 o   5.4590   0.4288   5.5330   0.5633   5.3840   0.6466 0.1491000 0.8575000 
1 1 1  -24    2   21 o   13.110   0.2785   12.890   0.3998   13.330   0.3877 -0.4330000 0.5569000 
1 1 1  -24    2   22 o   14.430   0.2064   14.390   0.2745   14.470   0.3084 -0.7805000E-01 0.4129000 
1 1 1  -24    2   23 o   12.620   0.2240   12.690   0.2956   12.560   0.3368 0.1279000 0.4481000 
1 1 1  -24    2   24 o   9.9980   0.2676   9.6220   0.3669   10.370   0.3896 -0.7518000 0.5352000 
1 1 1  -24    2   25 o   11.300   0.2928   11.600   0.3790   11.000   0.4465 0.6014000 0.5857000 
1 1 1  -24    2   26 o   8.8420   0.3645   8.4720   0.4717   9.2120   0.5558 -0.7398000 0.7290000 
1 1 1  -24    2   27 o   7.9320   0.3376   7.3700   0.4815   8.4940   0.4732 -1.124000 0.6751000 
1 1 1  -24    2   28 o   4.1080   0.6252   4.7020   0.7423   3.5140   1.0060 1.188000 1.250000 
1 1 1  -24    2   29 o   9.8970   0.2933   10.010   0.3813   9.7850   0.4457 0.2245000 0.5865000 
1 1 1  -24    2   30 o   8.0500   0.3572   8.4360   0.4499   7.6650   0.5550 0.7718000 0.7144000 
1 1 1  -24    2   31 f   6.3310   0.4393   6.1730   0.6073   6.4900   0.6349 -0.3165000 0.8786000 
1 1 1  -24    2   32 o   2.1690   0.6804   2.2130   0.9396   2.1260   0.9843 0.8747000E-01 1.361000 
1 1 1  -24    2   33 o   3.1940   0.9228   3.1640   1.2000   3.2240   1.4020 -0.5993000E-01 1.846000 
1 1 1  -24    2   34 o   3.0780   1.3920   3.0780   1.3920  ?   ?       ?      ? 
1 1 1  -24    4    1 o   11.900   0.2062  ?   ?    11.900   0.2062      ?      ? 
1 1 1  -24    4    2 f   17.280   0.1222   17.290   0.1811   17.280   0.1642 0.5661000E-02 0.2445000 
1 1 1  -24    4    3 o   11.420   0.1201   11.350   0.1537   11.480   0.1845 -0.1356000 0.2402000 
1 1 1  -24    4    4 o   13.290   0.1187   13.180   0.1828   13.410   0.1515 -0.2276000 0.2374000 
1 1 1  -24    4    5 o   23.620   0.1459   23.510   0.2204   23.720   0.1912 -0.2144000 0.2918000 
1 1 1  -24    4    6 o   17.800   0.1525   17.950   0.2566   17.660   0.1649 0.2905000 0.3051000 
1 1 1  -24    4    7 o   31.080   0.2183   31.160   0.3402   31.000   0.2738 0.1586000 0.4367000 
1 1 1  -24    4    8 o   41.570   0.2794   41.590   0.4342   41.560   0.3519 0.2632000E-01 0.5589000 
1 1 1  -24    4    9 o   29.950   0.2122   30.280   0.2748   29.620   0.3235 0.6562000 0.4245000 
1 1 1  -24    4   10 o   38.480   0.2603   38.750   0.3319   38.210   0.4011 0.5439000 0.5206000 
1 1 1  -24    4   11 o   37.010   0.2534   37.780   0.3274   36.250   0.3869 1.528000 0.5068000 
1 1 1  -24    4   12 o   25.270   0.1667   25.290   0.2175   25.250   0.2527 0.4404000E-01 0.3334000 
1 1 1  -24    4   13 f   67.510   0.4406   69.660   0.5762   65.360   0.6668 4.294000 0.8812000 
1 1 1  -24    4   14 o   27.320   0.2611   27.060   0.2345   27.580   0.4665 -0.5203000 0.5221000 
1 1 1  -24    4   15 o   27.730   0.2609   28.220   0.2428   27.240   0.4618 0.9780000 0.5217000 
1 1 1  -24    4   16 o   34.180   0.2105   34.420   0.2761   33.940   0.3178 0.4870000 0.4210000 
1 1 1  -24    4   17 o   22.080   0.1780   21.970   0.2333   22.190   0.2689 -0.2138000 0.3560000 
1 1 1  -24    4   18 o   9.1760   0.2702   9.2910   0.3602   9.0610   0.4028 0.2297000 0.5404000 
1 1 1  -24    4   19 o   10.930   0.2352   11.240   0.3111   10.620   0.3529 0.6268000 0.4705000 
1 1 1  -24    4   20 o   20.400   0.2203   20.340   0.2809   20.450   0.3394 -0.1175000 0.4405000 
1 1 1  -24    4   21 o   9.4900   0.2849   9.9230   0.3996   9.0570   0.4062 0.8659000 0.5699000 
1 1 1  -24    4   22 o   10.610   0.2523   10.560   0.3428   10.650   0.3704 -0.9146000E-01 0.5047000 
1 1 1  -24    4   23 o   3.6770   0.6443   4.1560   0.8235   3.1990   0.9911 0.9569000 1.289000 
1 1 1  -24    4   24 o   3.0560   0.6881   2.5850   0.9531   3.5270   0.9926 -0.9422000 1.376000 
1 1 1  -24    4   25 o   16.980   0.2408   16.630   0.3206   17.320   0.3594 -0.6957000 0.4816000 
1 1 1  -24    4   26 o   8.8140   0.3652   8.4370   0.4655   9.1920   0.5629 -0.7557000 0.7304000 
1 1 1  -24    4   27 o   2.6330   0.6902   2.7780   0.9604   2.4890   0.9916 0.2888000 1.380000 
1 1 1  -24    4   28 o   2.3710   0.6777   2.0530   0.8910   2.6890   1.0210 -0.6363000 1.355000 
1 1 1  -24    4   29 o   11.310   0.2671   10.940   0.3686   11.680   0.3867 -0.7448000 0.5342000 
1 1 1  -24    4   30 o   5.8070   0.5375   5.1680   0.7123   6.4460   0.8053 -1.277000 1.075000 
1 1 1  -24    4   31 o   2.4950   0.7324   2.4120   0.9791   2.5780   1.0890 -0.1659000 1.465000 
1 1 1  -24    4   32 o   3.7990   0.7804   2.8100   1.0750   4.7870   1.1320 -1.977000 1.561000 
1 1 1  -24    4   33 o   6.5360   0.4995   6.3450   0.7452   6.7260   0.6654 -0.3811000 0.9990000 
1 1 1  -24    6    1 o   47.590   0.2824   47.400   0.3982   47.780   0.4006 -0.3778000 0.5648000 
1 1 1  -24    6    2 o   24.670   0.1668   24.810   0.2377   24.520   0.2341 0.2844000 0.3336000 
1 1 1  -24    6    3 o   31.590   0.2022   31.620   0.2862   31.560   0.2858 0.6186000E-01 0.4045000 
1 1 1  -24    6    4 f   25.040   0.1976   25.230   0.3101   24.850   0.2451 0.3766000 0.3953000 
1 1 1  -24    6    5 f   27.690   0.2307   27.470   0.3249   27.900   0.3277 -0.4280000 0.4614000 
1 1 1  -24    6    6 o   30.490   0.2796   30.050   0.4865   30.940   0.2757 -0.8861000 0.5592000 
1 1 1  -24    6    7 o   17.240   0.1734   17.070   0.2738   17.420   0.2129 -0.3457000 0.3469000 
1 1 1  -24    6    8 o   48.780   0.3560   48.710   0.5039   48.860   0.5031 -0.1472000 0.7121000 
1 1 1  -24    6    9 o   36.650   0.2291   37.050   0.3275   36.240   0.3205 0.8086000 0.4582000 
1 1 1  -24    6   10 o   44.520   0.2699   44.470   0.3815   44.570   0.3821 -0.9808000E-01 0.5399000 
1 1 1  -24    6   11 o   51.540   0.3081   51.530   0.4360   51.550   0.4355 -0.1865000E-01 0.6162000 
1 1 1  -24    6   12 o   30.260   0.2319   30.160   0.2937   30.360   0.3589 -0.2030000 0.4638000 
1 1 1  -24    6   13 o   44.290   0.2726   44.290   0.3862   44.300   0.3847 -0.9144000E-02 0.5451000 
1 1 1  -24    6   14 o   19.650   0.1858   19.460   0.2647   19.850   0.2608 -0.3927000 0.3716000 
1 1 1  -24    6   15 o   25.730   0.2717   25.730   0.2800   25.740   0.4656 -0.1485000E-01 0.5433000 
1 1 1  -24    6   16 o   12.940   0.2987   13.430   0.2644   12.440   0.5358 0.9900000 0.5975000 
1 1 1  -24    6   17 o   51.060   0.3305   51.360   0.3834   50.770   0.5384 0.5857000 0.6610000 
1 1 1  -24    6   18 o   39.580   0.2387   39.820   0.3140   39.340   0.3596 0.4797000 0.4774000 
1 1 1  -24    6   19 o   17.290   0.2310   17.260   0.2859   17.320   0.3628 -0.5754000E-01 0.4620000 
1 1 1  -24    6   20 o   34.050   0.2182   34.140   0.2868   33.960   0.3290 0.1751000 0.4365000 
1 1 1  -24    6   21 o   13.430   0.2269   13.280   0.3211   13.590   0.3207 -0.3060000 0.4538000 
1 1 1  -24    6   22 o   16.770   0.1981   16.760   0.2625   16.770   0.2967 -0.1131000E-01 0.3961000 
1 1 1  -24    6   23 f   14.430   0.2151   14.620   0.2830   14.230   0.3241 0.3889000 0.4302000 
1 1 1  -24    6   24 o   3.1840   0.7456   3.4270   1.0480   2.9400   1.0610 0.4870000 1.491000 
1 1 1  -24    6   25 o   8.4660   0.3886   8.5470   0.4948   8.3860   0.5994 0.1613000 0.7773000 
1 1 1  -24    6   26 o   7.0470   0.3774   6.4610   0.5526   7.6330   0.5142 -1.172000 0.7548000 
1 1 1  -24    6   27 o   8.6590   0.3133   8.9790   0.4141   8.3390   0.4702 0.6391000 0.6265000 
1 1 1  -24    6   28 o   11.730   0.2611   12.480   0.3376   10.980   0.3985 1.506000 0.5223000 
1 1 1  -24    6   29 o   6.9400   0.4669   7.0030   0.5427   6.8770   0.7598 0.1254000 0.9337000 
1 1 1  -24    6   30 o   3.6650   0.7819   3.0610   1.0300   4.2690   1.1770 -1.208000 1.564000 
1 1 1  -24    6   31 o   5.0520   0.5795   5.4650   0.7176   4.6380   0.9101 0.8274000 1.159000 
1 1 1  -24    6   32 o   2.0430   0.6711   1.8640   0.8796   2.2220   1.0140 -0.3580000 1.342000 
1 1 1  -24    6   33 o   2.5980   0.7386   3.0630   1.1220   2.1340   0.9611 0.9293000 1.477000 
1 1 1  -24    8    1 o   12.210   0.1808   12.890   0.2396   11.530   0.2708 1.362000 0.3616000 
1 1 1  -24    8    2 o   28.530   0.2110   28.680   0.3499   28.390   0.2358 0.2830000 0.4219000 
1 1 1  -24    8    3 o   19.190   0.1855   19.170   0.3112   19.210   0.2021 -0.4111000E-01 0.3710000 
1 1 1  -24    8    4 o   33.710   0.2336   33.800   0.3854   33.620   0.2640 0.1743000 0.4671000 
1 1 1  -24    8    5 o   34.630   0.2070   34.520   0.3135   34.740   0.2704 -0.2169000 0.4140000 
1 1 1  -24    8    6 o   38.960   0.2571   39.130   0.4209   38.780   0.2953 0.3456000 0.5142000 
1 1 1  -24    8    7 o   52.290   0.2924   51.580   0.4379   53.010   0.3876 -1.426000 0.5848000 
1 1 1  -24    8    8 o   15.810   0.1948   15.600   0.3254   16.020   0.2144 -0.4267000 0.3897000 
1 1 1  -24    8    9 o   35.650   0.2306   35.660   0.3256   35.640   0.3268 0.1496000E-01 0.4613000 
1 1 1  -24    8   10 o   67.020   0.4411   67.800   0.5644   66.240   0.6779 1.556000 0.8821000 
1 1 1  -24    8   11 o   17.120   0.2142   16.790   0.2717   17.460   0.3313 -0.6673000 0.4285000 
1 1 1  -24    8   12 o   52.770   0.3187   52.940   0.4525   52.590   0.4491 0.3522000 0.6375000 
1 1 1  -24    8   13 o   24.840   0.1953   24.640   0.2766   25.040   0.2758 -0.4039000 0.3906000 
1 1 1  -24    8   14 o   34.350   0.2305   34.350   0.3267   34.340   0.3253 0.8785000E-02 0.4611000 
1 1 1  -24    8   15 f   25.440   0.2054   25.430   0.2939   25.450   0.2872 -0.2040000E-01 0.4109000 
1 1 1  -24    8   16 o   22.070   0.2307   22.950   0.3626   21.180   0.2854 1.776000 0.4614000 
1 1 1  -24    8   17 o   36.250   0.3627   36.120   0.4242   36.370   0.5885 -0.2516000 0.7254000 
1 1 1  -24    8   18 f   16.910   0.3064   17.360   0.3630   16.450   0.4937 0.9047000 0.6128000 
1 1 1  -24    8   19 o   13.270   0.2367   13.210   0.3388   13.330   0.3306 -0.1189000 0.4733000 
1 1 1  -24    8   20 f   5.6310   0.5197   5.9910   0.7582   5.2720   0.7110 0.7195000 1.039000 
1 1 1  -24    8   21 o   21.490   0.1933   21.150   0.2539   21.820   0.2916 -0.6666000 0.3866000 
1 1 1  -24    8   22 o   15.900   0.2080   16.000   0.2733   15.790   0.3137 0.2090000 0.4160000 
1 1 1  -24    8   23 o   10.480   0.3168   11.040   0.4088   9.9210   0.4842 1.122000 0.6337000 
1 1 1  -24    8   24 o   13.180   0.2339   12.820   0.3143   13.540   0.3464 -0.7259000 0.4677000 
1 1 1  -24    8   25 o   4.6930   0.6489   4.2440   0.9245   5.1420   0.9110 -0.8979000 1.298000 
1 1 1  -24    8   26 o   9.7460   0.2889   10.110   0.3759   9.3800   0.4389 0.7313000 0.5779000 
1 1 1  -24    8   27 o   2.5880   0.6645   3.2720   0.9754   1.9040   0.9027 1.368000 1.329000 
1 1 1  -24    8   28 o   10.840   0.3095   10.490   0.3779   11.180   0.4902 -0.6916000 0.6189000 
1 1 1  -24    8   29 f   10.480   0.2845   10.710   0.3813   10.250   0.4223 0.4690000 0.5690000 
1 1 1  -24    8   30 o   8.6430   0.3393   8.1220   0.4882   9.1640   0.4713 -1.041000 0.6786000 
1 1 1  -24    8   31 f   3.1410   0.7295   4.0180   1.0350   2.2650   1.0290 1.753000 1.459000 
1 1 1  -24    8   32 o   3.2670   0.7632   3.3380   1.0890   3.1960   1.0700 0.1417000 1.526000 
1 1 1  -24   10    1 o   10.860   0.2722   10.740   0.4442   10.980   0.3148 -0.2322000 0.5445000 
1 1 1  -24   10    2 f   36.150   0.2668   36.580   0.4199   35.720   0.3293 0.8603000 0.5337000 
1 1 1  -24   10    3 o   35.140   0.2307   35.350   0.3289   34.920   0.3236 0.4342000 0.4614000 
1 1 1  -24   10    4 o   43.910   0.2722   44.140   0.3874   43.680   0.3826 0.4612000 0.5445000 
1 1 1  -24   10    5 o   52.590   0.3175   52.800   0.4510   52.380   0.4469 0.4263000 0.6349000 
1 1 1  -24   10    6 f   42.860   0.2676   42.670   0.3777   43.050   0.3792 -0.3836000 0.5352000 
1 1 1  -24   10    7 o   33.660   0.2258   34.080   0.3225   33.250   0.3160 0.8279000 0.4515000 
1 1 1  -24   10    8 o   25.450   0.1977   25.350   0.2811   25.540   0.2781 -0.1898000 0.3954000 
1 1 1  -24   10    9 o   19.500   0.2149   19.880   0.3329   19.120   0.2717 0.7614000 0.4297000 
1 1 1  -24   10   10 o   32.880   0.2254   32.990   0.3200   32.760   0.3175 0.2277000 0.4508000 
1 1 1  -24   10   11 o   31.960   0.2226   31.790   0.3130   32.120   0.3166 -0.3268000 0.4452000 
1 1 1  -24   10   12 o   13.600   0.2236   13.470   0.3222   13.730   0.3101 -0.2568000 0.4472000 
1 1 1  -24   10   13 o   19.720   0.2026   19.850   0.2838   19.580   0.2892 0.2634000 0.4052000 
1 1 1  -24   10   14 o   18.650   0.2094   18.830   0.2942   18.480   0.2980 0.3565000 0.4187000 
1 1 1  -24   10   15 o   7.2590   0.5198   8.6500   0.5688   5.8690   0.8701 2.781000 1.040000 
1 1 1  -24   10   16 o   14.270   0.2916   14.150   0.4149   14.380   0.4099 -0.2309000 0.5832000 
1 1 1  -24   10   17 o   9.2530   0.3136   8.9450   0.4536   9.5610   0.4331 -0.6168000 0.6272000 
1 1 1  -24   10   18 o   22.870   0.2942   23.170   0.3039   22.580   0.5038 0.5830000 0.5884000 
1 1 1  -24   10   19 o   16.960   0.3291   17.290   0.3889   16.640   0.5311 0.6484000 0.6583000 
1 1 1  -24   10   20 o   8.6250   0.3752   8.3640   0.5151   8.8850   0.5457 -0.5214000 0.7504000 
1 1 1  -24   10   21 o   19.070   0.2710   18.940   0.4060   19.190   0.3590 -0.2448000 0.5419000 
1 1 1  -24   10   22 o   17.220   0.2764   17.210   0.4144   17.240   0.3658 -0.2664000E-01 0.5527000 
1 1 1  -24   10   23 o   9.0920   0.3214   8.9430   0.4660   9.2420   0.4427 -0.2996000 0.6427000 
1 1 1  -24   10   24 o   17.210   0.2489   17.150   0.3206   17.260   0.3809 -0.1076000 0.4978000 
1 1 1  -24   10   25 o   2.5260   0.7009   2.4240   0.9514   2.6280   1.0300 -0.2035000 1.402000 
1 1 1  -24   10   26 o   9.4900   0.3444   9.0440   0.4257   9.9370   0.5415 -0.8929000 0.6888000 
1 1 1  -24   10   27 o   11.730   0.2994   11.960   0.3456   11.510   0.4891 0.4407000 0.5989000 
1 1 1  -24   10   28 o   6.2070   0.4501   5.6970   0.6499   6.7170   0.6228 -1.019000 0.9002000 
1 1 1  -24   10   29 o   2.7440   0.7208   2.8840   1.0210   2.6040   1.0180 0.2800000 1.442000 
1 1 1  -24   10   30 o   3.5300   0.7634   2.3980   1.0230   4.6610   1.1330 -2.263000 1.527000 
1 1 1  -24   10   31 o   1.7580   0.5865   1.4790   0.7271   2.0370   0.9204 -0.5584000 1.173000 
1 1 1  -24   10   32 o   3.8010   0.7647   4.4160   1.0660   3.1860   1.0970 1.230000 1.529000 
1 1 1  -24   12    1 o   16.370   0.1775   16.590   0.2530   16.140   0.2491 0.4448000 0.3550000 
1 1 1  -24   12    2 o   12.610   0.1973   12.680   0.2773   12.530   0.2808 0.1526000 0.3946000 
1 1 1  -24   12    3 o   11.850   0.2048   12.200   0.2850   11.490   0.2943 0.7189000 0.4097000 
1 1 1  -24   12    4 o   11.200   0.2120   11.110   0.3000   11.280   0.2997 -0.1668000 0.4240000 
1 1 1  -24   12    5 o   29.110   0.1832   28.900   0.2581   29.320   0.2600 -0.4249000 0.3664000 
1 1 1  -24   12    6 o   17.460   0.1901   17.750   0.2886   17.180   0.2476 0.5667000 0.3802000 
1 1 1  -24   12    7 o   28.010   0.1976   28.060   0.3006   27.950   0.2567 0.1165000 0.3953000 
1 1 1  -24   12    8 o   12.720   0.2219   13.110   0.3327   12.320   0.2937 0.7812000 0.4438000 
1 1 1  -24   12    9 o   18.400   0.1911   18.610   0.2903   18.200   0.2487 0.4062000 0.3822000 
1 1 1  -24   12   10 o   29.880   0.2055   29.790   0.3109   29.970   0.2687 -0.1806000 0.4109000 
1 1 1  -24   12   11 o   12.090   0.2469   11.770   0.3811   12.410   0.3140 -0.6400000 0.4938000 
1 1 1  -24   12   12 o   13.020   0.3202   12.970   0.4372   13.080   0.4680 -0.1098000 0.6405000 
1 1 1  -24   12   13 f   10.430   0.3688   10.130   0.5129   10.730   0.5302 -0.6002000 0.7377000 
1 1 1  -24   12   14 o   7.6230   0.3881   7.1590   0.5801   8.0870   0.5156 -0.9277000 0.7761000 
1 1 1  -24   12   15 f   7.4400   0.3960   7.6310   0.5445   7.2480   0.5751 0.3827000 0.7920000 
1 1 1  -24   12   16 o   13.980   0.2490   14.200   0.3535   13.760   0.3507 0.4420000 0.4980000 
1 1 1  -24   12   17 o   4.3200   0.6685   4.2170   0.9832   4.4230   0.9059 -0.2058000 1.337000 
1 1 1  -24   12   18 o   18.610   0.2445   18.520   0.3794   18.710   0.3084 -0.1908000 0.4890000 
1 1 1  -24   12   19 o   19.980   0.3309   20.060   0.3903   19.900   0.5344 0.1609000 0.6617000 
1 1 1  -24   12   20 o   3.4590   0.9132   3.1050   1.1770   3.8140   1.3970 -0.7089000 1.826000 
1 1 1  -24   12   21 o   10.350   0.4329   10.350   0.4283   10.340   0.7524 0.1651000E-01 0.8657000 
1 1 1  -24   12   22 o   22.160   0.2207   22.020   0.3132   22.300   0.3109 -0.2804000 0.4413000 
1 1 1  -24   12   23 o   16.140   0.2684   16.540   0.3382   15.740   0.4170 0.8016000 0.5369000 
1 1 1  -24   12   24 o   5.0130   0.6779   5.6650   0.7928   4.3620   1.1000 1.303000 1.356000 
1 1 1  -24   12   25 o   4.4480   0.7395   4.5150   0.9879   4.3810   1.1010 0.1340000 1.479000 
1 1 1  -24   12   26 o   13.000   0.2726   13.300   0.3914   12.690   0.3794 0.6057000 0.5451000 
1 1 1  -24   12   27 o   4.1340   0.7185   3.6490   1.1040   4.6190   0.9194 -0.9691000 1.437000 
1 1 1  -24   12   28 o   11.640   0.2827   11.990   0.3735   11.300   0.4244 0.6892000 0.5654000 
1 1 1  -24   12   29 o   9.3200   0.4174   9.6700   0.5182   8.9690   0.6545 0.7008000 0.8348000 
1 1 1  -24   12   30 o   10.320   0.3116   10.440   0.4116   10.210   0.4679 0.2343000 0.6232000 
1 1 1  -24   12   31 o   7.5370   0.4400   7.8410   0.6138   7.2330   0.6306 0.6085000 0.8800000 
1 1 1  -24   14    1 o   24.170   0.2097   24.160   0.2976   24.170   0.2955 -0.1299000E-01 0.4194000 
1 1 1  -24   14    2 o   36.330   0.2445   36.460   0.3456   36.210   0.3460 0.2465000 0.4891000 
1 1 1  -24   14    3 o   23.790   0.2071   24.090   0.2911   23.490   0.2946 0.5981000 0.4142000 
1 1 1  -24   14    4 o   27.500   0.2146   27.460   0.3011   27.540   0.3058 -0.8033000E-01 0.4292000 
1 1 1  -24   14    5 o   5.0570   0.5960   6.2930   0.6193   3.8210   1.0180 2.471000 1.192000 
1 1 1  -24   14    6 o   36.140   0.2444   35.960   0.3437   36.310   0.3475 -0.3444000 0.4888000 
1 1 1  -24   14    7 o   29.630   0.3146  ?   ?    29.630   0.3146      ?      ? 
1 1 1  -24   14    8 o   24.810   0.2365   25.000   0.3648   24.610   0.3010 0.3941000 0.4730000 
1 1 1  -24   14    9 o   35.550   0.2734   35.620   0.4237   35.480   0.3457 0.1457000 0.5468000 
1 1 1  -24   14   10 o   34.990   0.2289   34.790   0.3458   35.200   0.2999 -0.4083000 0.4577000 
1 1 1  -24   14   11 o   7.1840   0.4026   6.6330   0.6534   7.7350   0.4705 -1.102000 0.8052000 
1 1 1  -24   14   12 o   8.8110   0.3270   8.5720   0.5086   9.0500   0.4111 -0.4781000 0.6540000 
1 1 1  -24   14   13 o   10.540   0.3083   10.510   0.4359   10.570   0.4360 -0.5965000E-01 0.6165000 
1 1 1  -24   14   14 o   23.060   0.2207   23.250   0.3131   22.880   0.3111 0.3758000 0.4414000 
1 1 1  -24   14   15 o   28.240   0.2533   28.550   0.3953   27.930   0.3168 0.6149000 0.5065000 
1 1 1  -24   14   16 o   12.400   0.3057   12.010   0.4767   12.780   0.3828 -0.7727000 0.6114000 
1 1 1  -24   14   17 o   5.3080   0.7103   4.4610   1.1790   6.1550   0.7925 -1.694000 1.421000 
1 1 1  -24   14   18 o   14.250   0.4578   14.250   0.4578  ?   ?       ?      ? 
1 1 1  -24   14   19 o   10.660   0.3025   11.040   0.4201   10.280   0.4353 0.7586000 0.6050000 
1 1 1  -24   14   20 o   17.600   0.2347   18.170   0.3276   17.040   0.3362 1.126000 0.4694000 
1 1 1  -24   14   21 o   3.9760   0.9066   3.6390   1.0570   4.3130   1.4730 -0.6740000 1.813000 
1 1 1  -24   14   22 o   14.030   0.3653   14.030   0.3653  ?   ?       ?      ? 
1 1 1  -24   14   23 o   6.7410   0.5071   6.2970   0.7024   7.1840   0.7317 -0.8869000 1.014000 
1 1 1  -24   14   24 o   2.8550   0.7544   2.7220   1.0610   2.9880   1.0720 -0.2660000 1.509000 
1 1 1  -24   14   25 o   12.150   0.2866   11.700   0.4191   12.590   0.3912 -0.8898000 0.5733000 
1 1 1  -24   14   26 o   10.530   0.3180   10.910   0.4380   10.150   0.4611 0.7577000 0.6360000 
1 1 1  -24   14   27 o   4.1030   0.8186   5.0100   1.0870   3.1970   1.2240 1.812000 1.637000 
1 1 1  -24   14   28 o   5.2130   0.6309   4.9220   0.9761   5.5030   0.7997 -0.5812000 1.262000 
1 1 1  -24   14   29 o   3.6250   0.7253   2.6310   1.0820   4.6190   0.9663 -1.988000 1.451000 
1 1 1  -24   14   30 o   5.4520   0.7215   4.0740   1.2750   6.8290   0.6756 -2.755000 1.443000 
1 1 1  -24   16    1 o   13.160   0.2348   13.400   0.3250   12.910   0.3390 0.4895000 0.4697000 
1 1 1  -24   16    2 o   4.2330   0.6220   5.4170   0.6943   3.0500   1.0320 2.368000 1.244000 
1 1 1  -24   16    3 o   29.010   0.1985   29.310   0.2816   28.720   0.2797 0.5920000 0.3970000 
1 1 1  -24   16    4 f   16.850   0.2031   17.190   0.2860   16.520   0.2884 0.6651000 0.4062000 
1 1 1  -24   16    5 o   16.060   0.2056   15.980   0.2917   16.150   0.2899 -0.1636000 0.4112000 
1 1 1  -24   16    6 f   14.120   0.2186   14.270   0.3042   13.960   0.3140 0.3063000 0.4372000 
1 1 1  -24   16    7 o   26.390   0.2099   26.390   0.3181   26.390   0.2739 0.3183000E-02 0.4198000 
1 1 1  -24   16    8 o   18.130   0.2127   18.130   0.3233   18.140   0.2765 -0.4105000E-02 0.4254000 
1 1 1  -24   16    9 o   21.680   0.2095   21.560   0.3194   21.790   0.2713 -0.2291000 0.4190000 
1 1 1  -24   16   10 o   28.820   0.2161   28.660   0.3279   28.970   0.2816 -0.3127000 0.4322000 
1 1 1  -24   16   11 o   18.110   0.2311   18.200   0.3240   18.010   0.3298 0.1819000 0.4623000 
1 1 1  -24   16   12 o   10.230   0.3583   10.340   0.5529   10.120   0.4558 0.2163000 0.7165000 
1 1 1  -24   16   13 o   11.830   0.4387   11.720   0.7318   11.940   0.4839 -0.2226000 0.8773000 
1 1 1  -24   16   14 o   10.290   0.3670   9.4660   0.6069   11.120   0.4128 -1.656000 0.7340000 
1 1 1  -24   16   15 o   8.6680   0.4283   9.2300   0.4986   8.1060   0.6964 1.124000 0.8565000 
1 1 1  -24   16   16 o   15.740   0.2481   15.900   0.3444   15.570   0.3573 0.3254000 0.4963000 
1 1 1  -24   16   17 o   8.7190   0.3617   8.5770   0.5283   8.8620   0.4940 -0.2852000 0.7233000 
1 1 1  -24   16   18 f   8.3770   0.3836   8.4090   0.5343   8.3450   0.5506 0.6382000E-01 0.7672000 
1 1 1  -24   16   19 o   22.130   0.2303   22.100   0.3239   22.160   0.3276 -0.6188000E-01 0.4607000 
1 1 1  -24   16   20 o   12.570   0.3236   12.960   0.3904   12.180   0.5163 0.7738000 0.6473000 
1 1 1  -24   16   21 o   10.280   0.3585   10.300   0.4576   10.260   0.5519 0.4697000E-01 0.7170000 
1 1 1  -24   16   22 o   5.3000   0.8088   6.3960   0.6789   4.2030   1.4680 2.193000 1.618000 
1 1 1  -24   16   23 o   16.650   0.3573   16.540   0.3574   16.760   0.6187 -0.2276000 0.7145000 
1 1 1  -24   16   24 o   8.7910   0.3743   9.0710   0.5166   8.5120   0.5417 0.5598000 0.7485000 
1 1 1  -24   16   25 o   9.5650   0.4547   9.8210   0.6118   9.3080   0.6729 0.5137000 0.9094000 
1 1 1  -24   16   26 o   4.2630   0.8655   4.5120   1.1700   4.0140   1.2760 0.4981000 1.731000 
1 1 1  -24   16   27 o   6.0000   0.5510   6.0800   0.7848   5.9190   0.7736 0.1616000 1.102000 
1 1 1  -24   16   28 o   3.7750   0.7611   4.4170   1.0320   3.1340   1.1190 1.283000 1.522000 
1 1 1  -24   16   29 o   3.4220   1.4440   3.4220   1.4440  ?   ?       ?      ? 
1 1 1  -24   18    1 o   3.2000   0.7353   4.0620   1.0680   2.3380   1.0110 1.724000 1.471000 
1 1 1  -24   18    2 f   6.3630   0.5377   5.7920   0.8079   6.9350   0.7099 -1.143000 1.075000 
1 1 1  -24   18    3 o   9.4750   0.3627   9.3570   0.5075   9.5920   0.5185 -0.2350000 0.7255000 
1 1 1  -24   18    4 o   12.570   0.3202   12.130   0.4172   13.010   0.4860 -0.8849000 0.6405000 
1 1 1  -24   18    5 o   14.020   0.4534   14.020   0.4534  ?   ?       ?      ? 
1 1 1  -24   18    6 o   13.930   0.3208   14.030   0.4480   13.830   0.4593 0.2051000 0.6416000 
1 1 1  -24   18    7 o   4.9790   0.8877   4.0050   1.5130   5.9520   0.9296 -1.947000 1.775000 
1 1 1  -24   18    8 o   17.280   0.3544   17.260   0.6257   17.310   0.3331 -0.5080000E-01 0.7088000 
1 1 1  -24   18    9 o   2.6130   0.7746   2.8540   1.1790   2.3710   1.0050 0.4834000 1.549000 
1 1 1  -24   18   10 o   14.550   0.2936   14.780   0.4669   14.330   0.3562 0.4441000 0.5873000 
1 1 1  -24   18   11 o   16.710   0.2320   16.160   0.3557   17.260   0.2980 -1.094000 0.4641000 
1 1 1  -24   18   12 o   4.6730   0.6169   5.1390   0.8520   4.2080   0.8923 0.9302000 1.234000 
1 1 1  -24   18   13 o   26.010   0.2156   25.890   0.3260   26.120   0.2824 -0.2288000 0.4313000 
1 1 1  -24   18   14 o   6.0030   0.4899   6.1860   0.7219   5.8200   0.6625 0.3658000 0.9798000 
1 1 1  -24   18   15 o   7.9280   0.3740   8.0480   0.5574   7.8070   0.4988 0.2407000 0.7480000 
1 1 1  -24   18   16 o   2.9820   0.7206   3.7820   1.0650   2.1820   0.9710 1.601000 1.441000 
1 1 1  -24   18   17 o   8.3490   0.4234   8.6040   0.5332   8.0930   0.6579 0.5110000 0.8469000 
1 1 1  -24   18   18 o   4.2660   0.7576   3.7940   1.0650   4.7380   1.0780 -0.9446000 1.515000 
1 1 1  -24   18   19 o   2.4750   0.7455   2.2780   0.9908   2.6720   1.1140 -0.3946000 1.491000 
1 1 1  -24   18   20 o   12.070   0.3006   12.620   0.4129   11.520   0.4371 1.094000 0.6013000 
1 1 1  -24   18   21 o   8.7200   0.3837   8.1200   0.5679   9.3190   0.5162 -1.199000 0.7674000 
1 1 1  -24   18   22 o   7.3380   0.4475   7.0490   0.6590   7.6260   0.6057 -0.5763000 0.8951000 
1 1 1  -24   18   23 o   5.4400   0.9028   5.6640   1.0240   5.2160   1.4870 0.4475000 1.806000 
1 1 1  -24   18   24 o   7.3950   0.6886   7.3460   0.7879   7.4440   1.1300 -0.9800000E-01 1.377000 
1 1 1  -24   18   25 o   9.3790   0.3764   9.1580   0.5460   9.6010   0.5183 -0.4424000 0.7528000 
1 1 1  -24   18   26 o   6.9990   0.5024   7.8650   0.6194   6.1330   0.7911 1.732000 1.005000 
1 1 1  -24   18   27 o   3.6660   0.7983   3.8440   1.1420   3.4880   1.1160 0.3561000 1.597000 
1 1 1  -24   20    1 o   9.4510   0.3161   9.6220   0.4351   9.2790   0.4587 0.3431000 0.6322000 
1 1 1  -24   20    2 o   7.2490   0.3969   7.6920   0.5281   6.8070   0.5927 0.8847000 0.7938000 
1 1 1  -24   20    3 o   4.5330   0.6216   4.2800   0.9166   4.7860   0.8399 -0.5061000 1.243000 
1 1 1  -24   20    4 o   3.7770   0.6947   3.2940   1.0350   4.2610   0.9271 -0.9671000 1.389000 
1 1 1  -24   20    5 o   17.560   0.2117   17.530   0.2974   17.590   0.3013 -0.6284000E-01 0.4234000 
1 1 1  -24   20    6 o   15.270   0.2235   15.370   0.3121   15.170   0.3200 0.1993000 0.4470000 
1 1 1  -24   20    7 o   9.6890   0.3343   9.6810   0.5020   9.6970   0.4415 -0.1546000E-01 0.6685000 
1 1 1  -24   20    8 o   14.150   0.2553   13.910   0.3902   14.380   0.3293 -0.4663000 0.5106000 
1 1 1  -24   20    9 o   7.1480   0.4226   7.3030   0.6266   6.9930   0.5673 0.3096000 0.8453000 
1 1 1  -24   20   10 o   11.130   0.2975   11.410   0.4475   10.860   0.3921 0.5581000 0.5950000 
1 1 1  -24   20   11 o   8.4230   0.3728   8.5510   0.5657   8.2950   0.4858 0.2557000 0.7456000 
1 1 1  -24   20   12 o   1.7810   0.5923   1.6330   0.7974   1.9290   0.8760 -0.2959000 1.185000 
1 1 1  -24   20   13 o   3.6840   0.7567   3.3300   1.1020   4.0380   1.0370 -0.7082000 1.513000 
1 1 1  -24   20   14 o   5.2370   0.6063   5.5370   0.8119   4.9370   0.9007 0.6004000 1.213000 
1 1 1  -24   20   15 o   6.4500   0.4937   6.6430   0.6803   6.2570   0.7155 0.3861000 0.9873000 
1 1 1  -24   20   16 o   12.230   0.3258   12.200   0.4099   12.260   0.5065 -0.6450000E-01 0.6516000 
1 1 1  -24   20   17 o   8.9140   0.4216   9.0510   0.5331   8.7780   0.6533 0.2729000 0.8432000 
1 1 1  -24   20   18 o   10.760   0.3355   10.490   0.4703   11.030   0.4785 -0.5347000 0.6709000 
1 1 1  -24   20   19 o   4.4110   0.7166   4.9770   0.9206   3.8450   1.0990 1.132000 1.433000 
1 1 1  -24   20   20 o   11.130   0.4051   10.910   0.5590   11.350   0.5865 -0.4337000 0.8102000 
1 1 1  -24   20   21 o   5.3420   0.7808   6.3720   0.8746   4.3110   1.2940 2.061000 1.562000 
1 1 1  -24   20   22 f   6.6650   0.5171   6.0460   0.8074   7.2840   0.6462 -1.238000 1.034000 
1 1 1  -24   20   23 o   9.4280   0.4264   9.1660   0.6790   9.6900   0.5158 -0.5244000 0.8527000 
1 1 1  -24   20   24 o   4.9940   0.8583   5.9410   0.8396   4.0480   1.4970 1.893000 1.717000 
1 1 1  -24   20   25 o   2.2520   0.7283   2.5610   1.0850   1.9420   0.9715 0.6188000 1.457000 
1 1 1  -24   22    1 o   3.8830   0.7664   3.3330   1.1310   4.4330   1.0340 -1.100000 1.533000 
1 1 1  -24   22    2 o   8.3580   0.4129   7.6280   0.6289   9.0890   0.5350 -1.461000 0.8257000 
1 1 1  -24   22    3 o   12.140   0.3100   12.290   0.4382   11.990   0.4386 0.3045000 0.6200000 
1 1 1  -24   22    4 o   4.7190   0.7119   4.6380   1.0320   4.8000   0.9814 -0.1623000 1.424000 
1 1 1  -24   22    5 o   15.840   0.2666   15.140   0.3857   16.550   0.3681 -1.406000 0.5332000 
1 1 1  -24   22    6 o   15.780   0.2624   15.290   0.3790   16.270   0.3631 -0.9770000 0.5248000 
1 1 1  -24   22    7 o   6.1210   0.5388   5.9860   0.7819   6.2560   0.7415 -0.2698000 1.078000 
1 1 1  -24   22    8 o   2.8320   0.7742   3.0160   1.1150   2.6470   1.0750 0.3693000 1.548000 
1 1 1  -24   22    9 o   9.7510   0.3541   9.8700   0.4917   9.6320   0.5098 0.2381000 0.7082000 
1 1 1  -24   22   10 o   8.3450   0.3876   8.0590   0.6147   8.6320   0.4723 -0.5730000 0.7752000 
1 1 1  -24   22   11 o   8.8470   0.3662   8.7330   0.5691   8.9620   0.4612 -0.2291000 0.7325000 
1 1 1  -24   22   12 o   10.270   0.3197   10.450   0.4786   10.100   0.4240 0.3536000 0.6394000 
1 1 1  -24   22   13 o   5.0660   0.6547   4.4860   1.0230   5.6450   0.8179 -1.159000 1.309000 
1 1 1  -24   22   14 o   7.1050   0.5098   6.7060   0.6760   7.5050   0.7633 -0.7993000 1.020000 
1 1 1  -24   22   15 o   5.0480   0.7079   5.0180   0.8978   5.0780   1.0950 -0.5940000E-01 1.416000 
1 1 1  -24   22   16 f   2.3300   0.6977   2.6540   1.0600   2.0070   0.9071 0.6468000 1.395000 
1 1 1  -24   22   17 o   9.3680   0.4190   9.3630   0.6260   9.3720   0.5571 -0.9693000E-02 0.8380000 
1 1 1  -24   22   18 o   5.3480   0.7024   5.2260   1.0380   5.4710   0.9470 -0.2445000 1.405000 
1 1 1  -24   22   19 o   7.1770   0.4394   6.9910   0.6546   7.3620   0.5864 -0.3707000 0.8789000 
1 1 1  -24   22   20 o   3.3940   0.7410   2.4710   1.0390   4.3170   1.0560 -1.846000 1.482000 
1 1 1  -24   22   21 o   2.5860   0.7532   2.8550   1.1150   2.3170   1.0130 0.5384000 1.506000 
1 1 1  -24   22   22 o   3.6980   0.8101   3.8740   1.1460   3.5210   1.1450 0.3529000 1.620000 
1 1 1  -24   22   23 o   3.9990   0.7760   4.7730   1.0580   3.2250   1.1350 1.548000 1.552000 
1 1 1  -24   24    1 o   2.7170   0.7279   2.5500   1.0070   2.8840   1.0520 -0.3342000 1.456000 
1 1 1  -24   24    2 o   5.4050   0.5538   6.0030   0.6743   4.8060   0.8786 1.197000 1.108000 
1 1 1  -24   24    3 o   5.1040   0.5631   5.1510   0.7753   5.0570   0.8167 0.9354000E-01 1.126000 
1 1 1  -24   24    4 o   3.0880   0.7254   3.5200   1.0230   2.6560   1.0290 0.8636000 1.451000 
1 1 1  -24   24    5 o   2.4510   0.6875   2.9780   1.0540   1.9230   0.8824 1.055000 1.375000 
1 1 1  -24   24    6 o   5.8970   0.5047   6.6570   0.6083   5.1370   0.8056 1.521000 1.009000 
1 1 1  -24   24    7 o   2.6820   0.7183   2.9830   1.0460   2.3800   0.9852 0.6031000 1.437000 
1 1 1  -24   24    8 o   4.2800   0.6960   4.6500   0.9796   3.9110   0.9890 0.7389000 1.392000 
1 1 1  -24   24    9 o   2.5100   0.6998   2.0180   0.9316   3.0020   1.0450 -0.9845000 1.400000 
1 1 1  -24   24   10 o   9.8330   0.3357   9.9500   0.5105   9.7150   0.4361 0.2351000 0.6714000 
1 1 1  -24   24   11 o   4.7230   0.9445   3.6140   1.2200   5.8320   1.4420 -2.217000 1.889000 
1 1 1  -24   24   12 o   6.1700   0.8328   5.9470   0.9292   6.3940   1.3820 -0.4472000 1.666000 
1 1 1  -24   24   13 o   5.5610   0.6747   5.2770   1.0610   5.8450   0.8336 -0.5685000 1.349000 
1 1 1  -24   24   14 o   2.8330   0.7535   3.2110   1.1240   2.4560   1.0040 0.7553000 1.507000 
1 1 1  -24   24   15 o   13.720   0.2695   13.400   0.4064   14.050   0.3541 -0.6474000 0.5390000 
1 1 1  -24   24   16 o   6.2720   0.4993   6.5370   0.7180   6.0080   0.6940 0.5296000 0.9985000 
1 1 1  -24   24   17 o   9.6130   0.3442   9.9290   0.5079   9.2980   0.4648 0.6313000 0.6884000 
1 1 1  -24   24   18 o   4.9320   0.6629   5.1410   0.9357   4.7230   0.9393 0.4171000 1.326000 
1 1 1  -24   24   19 o   4.6030   0.7064   5.0140   0.9593   4.1910   1.0370 0.8233000 1.413000 
1 1 1  -24   24   20 f   2.6040   0.7308   2.0930   0.9594   3.1150   1.1030 -1.022000 1.462000 
1 1 1  -24   24   21 o   2.9920   1.3800   2.9920   1.3800  ?   ?       ?      ? 
1 1 1  -24   26    1 o   4.2750   0.6739   3.4190   1.0690   5.1310   0.8213 -1.712000 1.348000 
1 1 1  -24   26    2 f   8.0140   0.3880   7.8930   0.5560   8.1350   0.5413 -0.2418000 0.7759000 
1 1 1  -24   26    3 o   4.0100   0.7175   4.1020   1.0050   3.9170   1.0240 0.1849000 1.435000 
1 1 1  -24   26    4 o   4.6210   0.6454   4.5650   0.9308   4.6770   0.8943 -0.1115000 1.291000 
1 1 1  -24   26    5 o   3.9560   0.6913   4.9210   0.8819   2.9910   1.0650 1.930000 1.383000 
1 1 1  -24   26    6 o   6.7790   0.4416   7.3000   0.5819   6.2580   0.6645 1.042000 0.8832000 
1 1 1  -24   26    7 o   7.0800   0.4619   7.0490   0.7068   7.1110   0.5949 -0.6212000E-01 0.9239000 
1 1 1  -24   26    8 o   3.5670   0.8058   3.9620   1.1330   3.1730   1.1460 0.7885000 1.612000 
1 1 1  -24   26    9 o   2.5770   0.7830   2.2530   1.0050   2.9020   1.2010 -0.6494000 1.566000 
1 1 1  -24   26   10 o   2.9350   0.7948   3.3310   1.1700   2.5400   1.0760 0.7908000 1.590000 
1 1 1  -24   26   11 o   3.8720   0.7631   3.6900   1.1610   4.0550   0.9910 -0.3650000 1.526000 
1 1 1  -24   26   12 o   4.4390   0.6388   2.6090   1.1000   6.2700   0.6494 -3.661000 1.278000 
1 1 1  -24   26   13 o   2.4920   0.7268   2.3850   1.0370   2.5980   1.0190 -0.2123000 1.454000 
1 1 1  -24   26   14 o   9.3940   0.3652   9.1590   0.5664   9.6280   0.4611 -0.4684000 0.7304000 
1 1 1  -24   26   15 o   3.9250   0.7701   3.7690   1.1490   4.0810   1.0250 -0.3120000 1.540000 
1 1 1  -24   26   16 o   6.6460   0.5001   6.5380   0.7540   6.7530   0.6570 -0.2147000 1.000000 
1 1 1  -24   26   17 o   4.3080   0.9992   4.9790   1.5300   3.6370   1.2850 1.342000 1.998000 
1 1 1  -24   28    1 o   4.9900   0.7048   4.5870   0.9863   5.3930   1.0070 -0.8058000 1.410000 
1 1 1  -24   28    2 o   7.0930   0.4539   7.7500   0.5831   6.4350   0.6959 1.315000 0.9079000 
1 1 1  -24   28    3 o   2.1960   0.6867   2.1320   0.9539   2.2600   0.9881 -0.1283000 1.373000 
1 1 1  -24   28    4 o   5.6180   0.5617   5.8530   0.7575   5.3830   0.8296 0.4701000 1.123000 
1 1 1  -24   28    5 o   3.0830   0.7952   3.2680   1.1030   2.8980   1.1460 0.3698000 1.590000 
1 1 1  -24   28    6 o   3.7370   0.8671   3.4990   1.1020   3.9750   1.3390 -0.4764000 1.734000 
1 1 1  -24   28    7 o   2.1520   0.7020   2.0090   0.9495   2.2950   1.0340 -0.2863000 1.404000 
1 1 1  -24   28    8 o   2.9870   0.7695   3.7060   1.1760   2.2680   0.9928 1.437000 1.539000 
1 1 1  -24   28    9 o   2.9220   0.8103   3.9070   1.3340   1.9360   0.9204 1.971000 1.621000 
1 1 1  -24   28   10 o   2.3520   0.7935   2.3810   1.1680   2.3230   1.0740 0.5738000E-01 1.587000 
1 1 1  -24   28   11 o   6.1470   0.9462   4.4620   1.6980   7.8310   0.8351 -3.369000 1.892000 
1 1 1  -24   28   12 o   3.2820   0.9935   3.5070   1.5360   3.0580   1.2600 0.4485000 1.987000 
1 1 1  -23    1    1 o   26.620   0.2294   26.830   0.3974   26.400   0.2295 0.4353000 0.4589000 
1 1 1  -23    1    2 o   18.970   0.1338   19.090   0.2180   18.850   0.1553 0.2413000 0.2676000 
1 1 1  -23    1    3 o   10.640   0.1559   9.9650   0.2897   11.320   0.1153 -1.353000 0.3118000 
1 1 1  -23    1    4 o   3.0820   0.3621   3.1870   0.4691   2.9780   0.5519 0.2082000 0.7243000 
1 1 1  -23    1    5 o   3.8370   0.2297   3.4930   0.4219   4.1810   0.1816 -0.6887000 0.4593000 
1 1 1  -23    1    6 o   27.310   0.1427   27.290   0.2018   27.330   0.2019 -0.3728000E-01 0.2855000 
1 1 1  -23    1    7 o   23.700   0.1486   23.590   0.2096   23.800   0.2108 -0.2028000 0.2973000 
1 1 1  -23    1    8 o   39.310   0.2325   39.550   0.3306   39.070   0.3271 0.4804000 0.4651000 
1 1 1  -23    1    9 o   19.130   0.1377   19.720   0.1972   18.540   0.1922 1.186000 0.2754000 
1 1 1  -23    1   10 o   37.010   0.1931   37.060   0.2734   36.950   0.2727 0.1085000 0.3861000 
1 1 1  -23    1   11 o   33.650   0.1940   33.020   0.2900   34.270   0.2578 -1.246000 0.3881000 
1 1 1  -23    1   12 o   14.700   0.2272   14.560   0.3739   14.830   0.2584 -0.2689000 0.4545000 
1 1 1  -23    1   13 o   57.600   0.5888   57.900   0.8368   57.300   0.8284 0.6087000 1.178000 
1 1 1  -23    1   14 o   73.030   0.4522   72.500   0.5172   73.570   0.7420 -1.071000 0.9045000 
1 1 1  -23    1   15 o   43.290   0.2804   43.080   0.3226   43.500   0.4587 -0.4127000 0.5608000 
1 1 1  -23    1   16 o   26.560   0.1667   26.740   0.2365   26.380   0.2349 0.3618000 0.3333000 
1 1 1  -23    1   17 o   22.900   0.1623   22.670   0.2288   23.120   0.2303 -0.4498000 0.3246000 
1 1 1  -23    1   18 o   25.860   0.1717   26.060   0.2436   25.660   0.2420 0.3960000 0.3434000 
1 1 1  -23    1   19 o   26.800   0.1764   26.760   0.2489   26.840   0.2501 -0.7131000E-01 0.3529000 
1 1 1  -23    1   20 o   22.360   0.1714   22.720   0.2419   22.000   0.2429 0.7169000 0.3428000 
1 1 1  -23    1   21 o   5.3210   0.6257   4.1620   1.0370   6.4800   0.7011 -2.318000 1.251000 
1 1 1  -23    1   22 o   33.080   0.2003   32.820   0.2817   33.330   0.2849 -0.5047000 0.4006000 
1 1 1  -23    1   23 o   7.2540   0.3266   6.5690   0.5019   7.9390   0.4182 -1.370000 0.6532000 
1 1 1  -23    1   24 o   24.900   0.1832   24.880   0.2595   24.920   0.2586 -0.4263000E-01 0.3664000 
1 1 1  -23    1   25 o   14.500   0.2572   14.740   0.3362   14.260   0.3894 0.4793000 0.5145000 
1 1 1  -23    1   26 o   21.460   0.2427   21.400   0.3015   21.520   0.3805 -0.1273000 0.4855000 
1 1 1  -23    1   27 o   3.9840   0.6369   4.2860   0.8022   3.6820   0.9893 0.6034000 1.274000 
1 1 1  -23    1   28 o   5.2080   0.5123   5.6370   0.6178   4.7790   0.8175 0.8575000 1.025000 
1 1 1  -23    1   29 o   8.7990   0.3216   8.5890   0.4341   9.0090   0.4746 -0.4205000 0.6432000 
1 1 1  -23    1   30 o   7.4100   0.3745   7.1710   0.5052   7.6500   0.5531 -0.4784000 0.7491000 
1 1 1  -23    1   31 o   6.1980   0.4523   6.6620   0.5571   5.7350   0.7127 0.9276000 0.9047000 
1 1 1  -23    1   32 o   8.6040   0.3429   8.1960   0.4788   9.0130   0.4910 -0.8169000 0.6858000 
1 1 1  -23    1   33 o   2.4890   0.7646   2.3290   1.0460   2.6480   1.1150 -0.3187000 1.529000 
1 1 1  -23    1   34 o   2.2690   0.7185   2.1110   0.9332   2.4260   1.0930 -0.3152000 1.437000 
1 1 1  -23    3    1 o   15.480   0.1150   15.350   0.1707   15.620   0.1542 -0.2689000 0.2300000 
1 1 1  -23    3    2 o   27.650   0.1766   27.330   0.2828   27.970   0.2115 -0.6468000 0.3532000 
1 1 1  -23    3    3 o   26.350   0.1540   26.330   0.2340   26.380   0.2004 -0.5033000E-01 0.3080000 
1 1 1  -23    3    4 o   13.630   0.1325   14.050   0.2293   13.210   0.1328 0.8383000 0.2650000 
1 1 1  -23    3    5 o   17.690   0.1463   17.070   0.2339   18.310   0.1759 -1.243000 0.2926000 
1 1 1  -23    3    6 o   13.540   0.1433   13.070   0.1611   14.020   0.2372 -0.9525000 0.2867000 
1 1 1  -23    3    7 o   31.990   0.2174   32.030   0.2745   31.940   0.3373 0.8681000E-01 0.4349000 
1 1 1  -23    3    8 o   25.410   0.1648   25.390   0.2325   25.430   0.2338 -0.3363000E-01 0.3297000 
1 1 1  -23    3    9 o   20.980   0.1704   21.040   0.2665   20.930   0.2124 0.1052000 0.3408000 
1 1 1  -23    3   10 o   37.820   0.2573   37.850   0.3996   37.790   0.3244 0.6632000E-01 0.5147000 
1 1 1  -23    3   11 o   45.680   0.4090   45.590   0.6681   45.770   0.4720 -0.1812000 0.8180000 
1 1 1  -23    3   12 o   30.400   0.2403   29.370   0.3329   31.420   0.3465 -2.050000 0.4805000 
1 1 1  -23    3   13 o   74.840   0.4881   74.740   0.6157   74.950   0.7575 -0.2050000 0.9761000 
1 1 1  -23    3   14 o   29.800   0.1871   29.920   0.2455   29.680   0.2825 0.2361000 0.3742000 
1 1 1  -23    3   15 o   27.000   0.2614   26.660   0.2353   27.340   0.4668 -0.6744000 0.5228000 
1 1 1  -23    3   16 o   65.010   0.5268   64.920   0.4688   65.090   0.9435 -0.1705000 1.054000 
1 1 1  -23    3   17 o   32.410   0.2050   33.000   0.2709   31.810   0.3078 1.196000 0.4100000 
1 1 1  -23    3   18 o   18.490   0.1803   18.580   0.2374   18.390   0.2715 0.1878000 0.3606000 
1 1 1  -23    3   19 o   13.200   0.2084   13.240   0.2802   13.160   0.3087 0.8238000E-01 0.4169000 
1 1 1  -23    3   20 o   24.750   0.2247   24.870   0.2854   24.630   0.3472 0.2397000 0.4494000 
1 1 1  -23    3   21 o   19.470   0.2208   19.230   0.2902   19.710   0.3328 -0.4766000 0.4416000 
1 1 1  -23    3   22 o   10.110   0.2607   10.380   0.3400   9.8400   0.3954 0.5356000 0.5215000 
1 1 1  -23    3   23 o   4.9540   0.4995   4.7870   0.6894   5.1210   0.7228 -0.3347000 0.9989000 
1 1 1  -23    3   24 o   16.010   0.2035   16.100   0.2683   15.920   0.3060 0.1789000 0.4069000 
1 1 1  -23    3   25 o   30.610   0.2542   30.730   0.3265   30.490   0.3898 0.2432000 0.5084000 
1 1 1  -23    3   26 o   2.2960   0.7040   2.2390   0.9512   2.3540   1.0380 -0.1148000 1.408000 
1 1 1  -23    3   27 f   7.0250   0.3702   6.5260   0.5313   7.5240   0.5156 -0.9979000 0.7403000 
1 1 1  -23    3   28 o   7.1440   0.3733   6.7870   0.5106   7.5010   0.5448 -0.7142000 0.7466000 
1 1 1  -23    3   29 o   2.0440   0.6340   2.2710   0.9389   1.8180   0.8524 0.4533000 1.268000 
1 1 1  -23    3   30 o   2.8520   0.7131   3.0100   1.0000   2.6940   1.0160 0.3162000 1.426000 
1 1 1  -23    3   31 o   13.950   0.2422   14.250   0.3170   13.660   0.3663 0.5875000 0.4844000 
1 1 1  -23    3   32 o   3.0930   0.7604   3.7380   1.0670   2.4490   1.0840 1.289000 1.521000 
1 1 1  -23    3   33 o   5.0830   0.7205   4.8560   0.9700   5.3100   1.0660 -0.4533000 1.441000 
1 1 1  -23    5    1 o   21.440   0.1744   21.390   0.2664   21.480   0.2252 -0.9312000E-01 0.3489000 
1 1 1  -23    5    2 o   22.910   0.1788   22.590   0.2728   23.240   0.2310 -0.6502000 0.3575000 
1 1 1  -23    5    3 o   13.900   0.1458   14.360   0.2050   13.450   0.2072 0.9073000 0.2915000 
1 1 1  -23    5    4 o   11.700   0.1345   11.750   0.2065   11.660   0.1725 0.8887000E-01 0.2691000 
1 1 1  -23    5    5 o   17.390   0.1454   17.480   0.2039   17.290   0.2072 0.1946000 0.2907000 
1 1 1  -23    5    6 o   37.610   0.2579   37.770   0.4022   37.450   0.3229 0.3220000 0.5158000 
1 1 1  -23    5    7 o   14.810   0.1705   14.600   0.2679   15.020   0.2112 -0.4285000 0.3411000 
1 1 1  -23    5    8 o   41.120   0.2788   41.050   0.4327   41.190   0.3518 -0.1407000 0.5576000 
1 1 1  -23    5    9 o   21.040   0.2399   20.370   0.3933   21.710   0.2749 -1.335000 0.4799000 
1 1 1  -23    5   10 f   46.860   0.3439   46.780   0.4875   46.940   0.4850 -0.1566000 0.6877000 
1 1 1  -23    5   11 o   49.200   0.2945   49.620   0.4200   48.790   0.4130 0.8216000 0.5890000 
1 1 1  -23    5   12 o   25.300   0.2057   25.320   0.2612   25.270   0.3179 0.5575000E-01 0.4115000 
1 1 1  -23    5   13 o   9.2470   0.2741   9.2260   0.3576   9.2680   0.4156 -0.4223000E-01 0.5483000 
1 1 1  -23    5   14 o   56.670   0.3153   56.760   0.4132   56.580   0.4765 0.1719000 0.6307000 
1 1 1  -23    5   15 o   18.610   0.1705   18.300   0.2236   18.910   0.2575 -0.6080000 0.3410000 
1 1 1  -23    5   16 o   28.170   0.1924   29.110   0.2539   27.220   0.2891 1.893000 0.3848000 
1 1 1  -23    5   17 o   12.390   0.2990   12.990   0.2705   11.790   0.5334 1.195000 0.5981000 
1 1 1  -23    5   18 o   52.470   0.4360   52.630   0.3918   52.310   0.7790 0.3185000 0.8719000 
1 1 1  -23    5   19 o   4.6230   0.6469   5.4510   0.6706   3.7960   1.1060 1.655000 1.294000 
1 1 1  -23    5   20 o   30.340   0.2057   30.170   0.2695   30.510   0.3108 -0.3393000 0.4114000 
1 1 1  -23    5   21 o   5.7160   0.4588   6.2220   0.6014   5.2100   0.6931 1.011000 0.9176000 
1 1 1  -23    5   22 o   18.370   0.1921   18.710   0.2557   18.040   0.2866 0.6659000 0.3841000 
1 1 1  -23    5   23 o   15.190   0.2079   14.810   0.2837   15.560   0.3039 -0.7575000 0.4158000 
1 1 1  -23    5   24 o   8.3540   0.3734   7.6630   0.5494   9.0450   0.5058 -1.383000 0.7467000 
1 1 1  -23    5   25 o   9.8970   0.3387   9.6830   0.4391   10.110   0.5159 -0.4274000 0.6775000 
1 1 1  -23    5   26 o   6.2940   0.4264   6.9700   0.5087   5.6190   0.6844 1.351000 0.8528000 
1 1 1  -23    5   27 f   8.2980   0.3291   8.3260   0.4448   8.2690   0.4852 0.5637000E-01 0.6582000 
1 1 1  -23    5   28 o   10.540   0.2776   10.680   0.3712   10.390   0.4130 0.2893000 0.5553000 
1 1 1  -23    5   29 o   13.900   0.2367   13.710   0.3139   14.100   0.3543 -0.3897000 0.4733000 
1 1 1  -23    5   30 o   11.000   0.2756   10.900   0.3675   11.100   0.4107 -0.1967000 0.5512000 
1 1 1  -23    5   31 o   1.7510   0.5880   1.8920   0.8622   1.6100   0.7997 0.2825000 1.176000 
1 1 1  -23    5   32 o   2.0690   0.7125   1.7750   0.8471   2.3630   1.1460 -0.5871000 1.425000 
1 1 1  -23    5   33 o   2.6240   0.7360   2.2340   0.9906   3.0140   1.0890 -0.7800000 1.472000 
1 1 1  -23    7    1 o   20.550   0.1712   20.470   0.2224   20.630   0.2603 -0.1661000 0.3423000 
1 1 1  -23    7    2 o   34.190   0.2134   34.280   0.3028   34.090   0.3008 0.1947000 0.4268000 
1 1 1  -23    7    3 o   14.980   0.1619   15.100   0.2126   14.860   0.2441 0.2365000 0.3237000 
1 1 1  -23    7    4 o   31.610   0.2010   31.560   0.2840   31.670   0.2845 -0.1113000 0.4020000 
1 1 1  -23    7    5 o   43.040   0.3664  ?   ?    43.040   0.3664      ?      ? 
1 1 1  -23    7    6 o   50.380   0.4247   49.770   0.7340   50.990   0.4275 -1.222000 0.8494000 
1 1 1  -23    7    7 o   24.550   0.2017   24.340   0.3189   24.760   0.2469 -0.4236000 0.4033000 
1 1 1  -23    7    8 o   30.890   0.2273   30.390   0.3484   31.380   0.2920 -0.9983000 0.4546000 
1 1 1  -23    7    9 o   59.270   0.3505   59.320   0.4962   59.220   0.4951 0.1002000 0.7010000 
1 1 1  -23    7   10 o   57.660   0.3422   57.600   0.4832   57.730   0.4846 -0.1337000 0.6844000 
1 1 1  -23    7   11 o   31.240   0.2356   31.330   0.2985   31.150   0.3646 0.1850000 0.4712000 
1 1 1  -23    7   12 o   29.410   0.2057   29.600   0.2931   29.210   0.2885 0.3897000 0.4113000 
1 1 1  -23    7   13 o   10.580   0.2469   10.260   0.3701   10.910   0.3268 -0.6509000 0.4937000 
1 1 1  -23    7   14 o   7.7400   0.3212   8.0620   0.4444   7.4190   0.4639 0.6429000 0.6424000 
1 1 1  -23    7   15 o   36.580   0.2402   36.420   0.3382   36.750   0.3411 -0.3315000 0.4804000 
1 1 1  -23    7   16 o   3.5640   0.6911   3.5580   0.9967   3.5710   0.9577 -0.1260000E-01 1.382000 
1 1 1  -23    7   17 o   13.800   0.2294   13.850   0.3269   13.740   0.3219 0.1111000 0.4588000 
1 1 1  -23    7   18 o   18.860   0.2999   18.940   0.3531   18.780   0.4849 0.1601000 0.5998000 
1 1 1  -23    7   19 o   21.390   0.2718   21.330   0.2493   21.460   0.4832 -0.1278000 0.5437000 
1 1 1  -23    7   20 o   25.230   0.2362   25.860   0.2924   24.600   0.3710 1.266000 0.4724000 
1 1 1  -23    7   21 o   10.420   0.2601   10.390   0.3475   10.460   0.3870 -0.6849000E-01 0.5201000 
1 1 1  -23    7   22 o   13.410   0.2275   13.420   0.2974   13.400   0.3445 0.2038000E-01 0.4551000 
1 1 1  -23    7   23 o   10.740   0.3027   10.790   0.4123   10.700   0.4432 0.8350000E-01 0.6053000 
1 1 1  -23    7   24 o   4.4760   0.5761   4.2880   0.7967   4.6640   0.8323 -0.3759000 1.152000 
1 1 1  -23    7   25 f   2.0390   0.6309   2.5110   0.9973   1.5670   0.7731 0.9446000 1.262000 
1 1 1  -23    7   26 o   5.1440   0.5278   5.9560   0.5726   4.3310   0.8867 1.624000 1.056000 
1 1 1  -23    7   27 o   3.1790   0.6802   3.7520   0.9172   2.6070   1.0050 1.145000 1.360000 
1 1 1  -23    7   28 o   4.4030   0.6231   4.5640   0.8195   4.2420   0.9388 0.3222000 1.246000 
1 1 1  -23    7   29 o   10.140   0.2982   10.870   0.3757   9.4070   0.4633 1.466000 0.5965000 
1 1 1  -23    7   30 o   7.7080   0.4337   8.0970   0.4814   7.3200   0.7215 0.7766000 0.8674000 
1 1 1  -23    7   31 o   7.4420   0.7536   8.2260   0.5578   6.6570   1.4000 1.569000 1.507000 
1 1 1  -23    7   32 f   1.9680   0.6345   1.9420   0.8846   1.9950   0.9098 -0.5298000E-01 1.269000 
1 1 1  -23    7   33 o   2.3560   0.7210   2.4340   1.0400   2.2770   0.9993 0.1564000 1.442000 
1 1 1  -23    9    1 o   24.750   0.1602   24.890   0.2269   24.600   0.2262 0.2921000 0.3203000 
1 1 1  -23    9    2 o   16.990   0.1500   16.870   0.2126   17.110   0.2116 -0.2362000 0.2999000 
1 1 1  -23    9    3 o   38.820   0.2614   38.860   0.4302   38.770   0.2972 0.9418000E-01 0.5229000 
1 1 1  -23    9    4 o   18.660   0.1922   18.970   0.3211   18.340   0.2112 0.6315000 0.3843000 
1 1 1  -23    9    5 o   5.9960   0.3986   5.6000   0.6974   6.3930   0.3862 -0.7930000 0.7972000 
1 1 1  -23    9    6 o   25.650   0.1769   25.410   0.2681   25.880   0.2308 -0.4667000 0.3537000 
1 1 1  -23    9    7 o   56.300   0.3140   56.210   0.4747   56.390   0.4113 -0.1772000 0.6281000 
1 1 1  -23    9    8 o   67.800   0.3992   68.080   0.5669   67.510   0.5621 0.5783000 0.7984000 
1 1 1  -23    9    9 o   13.820   0.2239   13.950   0.2851   13.690   0.3454 0.2653000 0.4479000 
1 1 1  -23    9   10 o   44.830   0.3111   44.260   0.4787   45.400   0.3976 -1.140000 0.6223000 
1 1 1  -23    9   11 o   26.780   0.2014   26.910   0.2871   26.650   0.2826 0.2604000 0.4029000 
1 1 1  -23    9   12 o   46.390   0.2872   46.190   0.4049   46.590   0.4074 -0.3949000 0.5744000 
1 1 1  -23    9   13 o   20.300   0.1965   20.410   0.2799   20.180   0.2758 0.2247000 0.3929000 
1 1 1  -23    9   14 o   35.650   0.2387   35.690   0.3391   35.610   0.3362 0.7604000E-01 0.4775000 
1 1 1  -23    9   15 o   35.250   0.2389   35.250   0.3391   35.260   0.3366 -0.1033000E-01 0.4777000 
1 1 1  -23    9   16 o   39.190   0.3154   39.230   0.4464   39.150   0.4456 0.8604000E-01 0.6308000 
1 1 1  -23    9   17 o   9.5800   0.5615   9.5800   0.5615  ?   ?       ?      ? 
1 1 1  -23    9   18 o   21.760   0.2100   21.570   0.3049   21.950   0.2888 -0.3829000 0.4199000 
1 1 1  -23    9   19 o   21.640   0.3648   21.640   0.3648  ?   ?       ?      ? 
1 1 1  -23    9   20 o   20.730   0.3123   20.700   0.3687   20.760   0.5043 -0.6033000E-01 0.6247000 
1 1 1  -23    9   21 o   11.150   0.3909   11.450   0.3872   10.840   0.6792 0.6134000 0.7818000 
1 1 1  -23    9   22 o   8.5170   0.4143   9.1750   0.5767   7.8580   0.5951 1.317000 0.8287000 
1 1 1  -23    9   23 o   10.790   0.2661   11.080   0.3419   10.500   0.4078 0.5845000 0.5321000 
1 1 1  -23    9   24 o   15.630   0.2582   16.110   0.3246   15.150   0.4017 0.9560000 0.5164000 
1 1 1  -23    9   25 o   24.020   0.2053   24.010   0.2712   24.020   0.3082 -0.1131000E-02 0.4105000 
1 1 1  -23    9   26 o   10.740   0.2716   10.720   0.3617   10.760   0.4053 -0.3558000E-01 0.5433000 
1 1 1  -23    9   27 o   4.2020   0.6364   5.1890   0.7042   3.2160   1.0600 1.973000 1.273000 
1 1 1  -23    9   28 o   3.8890   0.7496   3.3670   1.0030   4.4110   1.1140 -1.044000 1.499000 
1 1 1  -23    9   29 o   8.4970   0.3994   8.4840   0.4694   8.5110   0.6463 -0.2731000E-01 0.7988000 
1 1 1  -23    9   30 o   7.2670   0.5099   7.6450   0.6136   6.8900   0.8146 0.7545000 1.020000 
1 1 1  -23    9   31 o   1.8330   0.6036   1.8960   0.8706   1.7700   0.8363 0.1264000 1.207000 
1 1 1  -23    9   32 o   1.8760   0.6207   1.8200   0.8676   1.9320   0.8880 -0.1127000 1.241000 
1 1 1  -23   11    1 o   20.850   0.2124   20.510   0.3552   21.200   0.2331 -0.6817000 0.4249000 
1 1 1  -23   11    2 o   6.8620   0.3920   7.1240   0.6583   6.6010   0.4258 0.5229000 0.7840000 
1 1 1  -23   11    3 o   23.240   0.2120   23.640   0.3552   22.840   0.2315 0.8093000 0.4240000 
1 1 1  -23   11    4 o   56.490   0.2934   56.470   0.4149   56.500   0.4150 -0.2991000E-01 0.5868000 
1 1 1  -23   11    5 o   58.010   0.3005   58.010   0.4250   58.010   0.4248 -0.4013000E-02 0.6009000 
1 1 1  -23   11    6 o   61.920   0.3452   61.970   0.5230   61.870   0.4506 0.1066000 0.6903000 
1 1 1  -23   11    7 f   51.250   0.2920   50.900   0.4398   51.600   0.3841 -0.7001000 0.5839000 
1 1 1  -23   11    8 o   18.640   0.1861   18.480   0.2861   18.800   0.2381 -0.3292000 0.3723000 
1 1 1  -23   11    9 o   38.120   0.2325   38.030   0.3523   38.210   0.3036 -0.1837000 0.4650000 
1 1 1  -23   11   10 o   33.390   0.2137   32.930   0.3215   33.850   0.2816 -0.9211000 0.4274000 
1 1 1  -23   11   11 o   28.740   0.2158   29.130   0.3072   28.350   0.3031 0.7759000 0.4316000 
1 1 1  -23   11   12 o   27.340   0.2127   27.240   0.3007   27.450   0.3008 -0.2097000 0.4254000 
1 1 1  -23   11   13 o   34.370   0.2649   34.270   0.4083   34.470   0.3377 -0.2002000 0.5299000 
1 1 1  -23   11   14 o   27.740   0.3847  ?   ?    27.740   0.3847      ?      ? 
1 1 1  -23   11   15 o   19.910   0.2419   19.450   0.3042   20.380   0.3763 -0.9309000 0.4838000 
1 1 1  -23   11   16 o   29.510   0.2512   29.360   0.3194   29.650   0.3879 -0.2844000 0.5025000 
1 1 1  -23   11   17 o   18.530   0.2182   18.270   0.3157   18.790   0.3015 -0.5231000 0.4365000 
1 1 1  -23   11   18 o   23.760   0.2377   23.860   0.3685   23.670   0.3004 0.1955000 0.4754000 
1 1 1  -23   11   19 o   17.050   0.2290   16.830   0.3330   17.270   0.3146 -0.4466000 0.4581000 
1 1 1  -23   11   20 o   6.4730   0.5848   6.1890   0.9317   6.7570   0.7069 -0.5673000 1.170000 
1 1 1  -23   11   21 o   3.3550   0.9101   3.3630   1.2360   3.3470   1.3360 0.1552000E-01 1.820000 
1 1 1  -23   11   22 o   25.690   0.3153   25.660   0.3231   25.720   0.5415 -0.5502000E-01 0.6306000 
1 1 1  -23   11   23 o   10.180   0.3530   10.100   0.4616   10.260   0.5342 -0.1616000 0.7060000 
1 1 1  -23   11   24 o   2.8210   0.7385   3.4430   1.0840   2.2000   1.0030 1.243000 1.477000 
1 1 1  -23   11   25 o   24.200   0.2290   23.970   0.3272   24.440   0.3206 -0.4718000 0.4581000 
1 1 1  -23   11   26 o   11.060   0.2781   11.270   0.3704   10.850   0.4151 0.4208000 0.5563000 
1 1 1  -23   11   27 o   5.7190   0.6231   6.8740   0.5547   4.5640   1.1160 2.310000 1.246000 
1 1 1  -23   11   28 o   10.200   0.3049   10.420   0.3982   9.9860   0.4619 0.4361000 0.6099000 
1 1 1  -23   11   29 o   3.9490   0.7522   4.9300   0.9371   2.9680   1.1770 1.962000 1.504000 
1 1 1  -23   11   30 o   3.3690   0.7380   2.9090   1.0360   3.8300   1.0510 -0.9208000 1.476000 
1 1 1  -23   11   31 o   2.5300   0.7368   2.3140   1.0120   2.7460   1.0710 -0.4328000 1.474000 
1 1 1  -23   13    1 o   47.870   0.2804   47.750   0.4248   47.980   0.3659 -0.2346000 0.5607000 
1 1 1  -23   13    2 f   17.570   0.1795   17.420   0.2553   17.710   0.2523 -0.2932000 0.3589000 
1 1 1  -23   13    3 o   25.060   0.1780   25.110   0.2519   25.000   0.2515 0.1129000 0.3560000 
1 1 1  -23   13    4 o   47.920   0.2578   48.220   0.3665   47.610   0.3627 0.6160000 0.5156000 
1 1 1  -23   13    5 o   15.840   0.1846   15.830   0.2617   15.860   0.2605 -0.2879000E-01 0.3692000 
1 1 1  -23   13    6 o   34.190   0.2028   33.920   0.2854   34.460   0.2882 -0.5439000 0.4056000 
1 1 1  -23   13    7 o   18.110   0.2226   17.630   0.3667   18.590   0.2525 -0.9566000 0.4452000 
1 1 1  -23   13    8 o   14.350   0.2465   14.180   0.4043   14.530   0.2822 -0.3552000 0.4930000 
1 1 1  -23   13    9 o   22.850   0.2303   22.940   0.3557   22.750   0.2928 0.1873000 0.4607000 
1 1 1  -23   13   10 o   30.980   0.2525   30.740   0.3897   31.210   0.3212 -0.4633000 0.5050000 
1 1 1  -23   13   11 o   35.610   0.2731   35.280   0.4206   35.940   0.3483 -0.6635000 0.5461000 
1 1 1  -23   13   12 o   16.770   0.2277   16.580   0.3252   16.960   0.3189 -0.3726000 0.4555000 
1 1 1  -23   13   13 o   33.670   0.2409   33.770   0.3417   33.560   0.3397 0.2057000 0.4818000 
1 1 1  -23   13   14 o   12.030   0.2727   12.060   0.3924   12.000   0.3789 0.6399000E-01 0.5455000 
1 1 1  -23   13   15 o   10.650   0.3069   10.290   0.4538   11.010   0.4133 -0.7194000 0.6138000 
1 1 1  -23   13   16 o   26.160   0.2469   26.010   0.3826   26.300   0.3122 -0.2842000 0.4939000 
1 1 1  -23   13   17 o   5.1380   0.6503   4.9880   1.0410   5.2880   0.7794 -0.2996000 1.301000 
1 1 1  -23   13   18 o   11.360   0.3569   11.330   0.5403   11.400   0.4663 -0.7370000E-01 0.7137000 
1 1 1  -23   13   19 o   4.3960   0.7830   5.0870   1.0630   3.7050   1.1500 1.382000 1.566000 
1 1 1  -23   13   20 o   11.720   0.2811   11.970   0.3935   11.480   0.4017 0.4901000 0.5623000 
1 1 1  -23   13   21 o   15.080   0.2445   14.970   0.3496   15.190   0.3421 -0.2169000 0.4891000 
1 1 1  -23   13   22 o   2.8110   1.0660   2.8110   1.0660  ?   ?       ?      ? 
1 1 1  -23   13   23 o   10.730   0.4352   10.370   0.4507   11.100   0.7447 -0.7353000 0.8704000 
1 1 1  -23   13   24 o   3.5760   0.7350   4.1960   1.0090   2.9550   1.0690 1.241000 1.470000 
1 1 1  -23   13   25 o   9.2090   0.3853   8.9950   0.5181   9.4230   0.5704 -0.4281000 0.7706000 
1 1 1  -23   13   26 o   8.8840   0.4131   8.1260   0.5845   9.6420   0.5838 -1.516000 0.8262000 
1 1 1  -23   13   27 o   7.5880   0.4301   7.1690   0.6505   8.0060   0.5629 -0.8370000 0.8602000 
1 1 1  -23   13   28 o   7.7630   0.5534   6.8370   0.8750   8.6890   0.6778 -1.851000 1.107000 
1 1 1  -23   13   29 o   10.740   0.3311   10.440   0.4952   11.040   0.4397 -0.6030000 0.6622000 
1 1 1  -23   13   30 o   10.030   0.3343   10.510   0.4376   9.5580   0.5054 0.9537000 0.6685000 
1 1 1  -23   15    1 o   17.470   0.1990   17.500   0.2826   17.440   0.2803 0.5385000E-01 0.3980000 
1 1 1  -23   15    2 o   20.510   0.1904   20.840   0.2697   20.170   0.2688 0.6782000 0.3808000 
1 1 1  -23   15    3 f   26.960   0.1914   26.810   0.2709   27.110   0.2705 -0.3013000 0.3829000 
1 1 1  -23   15    4 o   9.2610   0.2967   8.8560   0.4387   9.6670   0.3995 -0.8111000 0.5934000 
1 1 1  -23   15    5 o   40.220   0.2312   40.530   0.3284   39.920   0.3254 0.6163000 0.4623000 
1 1 1  -23   15    6 o   14.340   0.2146   14.390   0.3020   14.290   0.3051 0.9682000E-01 0.4292000 
1 1 1  -23   15    7 o   22.910   0.2060   23.310   0.3133   22.510   0.2676 0.8005000 0.4120000 
1 1 1  -23   15    8 o   16.420   0.2197   16.410   0.3328   16.420   0.2869 -0.1773000E-01 0.4394000 
1 1 1  -23   15    9 o   18.190   0.2139   18.110   0.3302   18.280   0.2719 -0.1701000 0.4277000 
1 1 1  -23   15   10 o   23.120   0.2068   23.030   0.3166   23.220   0.2663 -0.1844000 0.4137000 
1 1 1  -23   15   11 o   3.2820   0.7210   2.8850   1.0760   3.6790   0.9597 -0.7937000 1.442000 
1 1 1  -23   15   12 o   41.140   0.2564   41.400   0.3907   40.870   0.3320 0.5254000 0.5127000 
1 1 1  -23   15   13 o   9.0090   0.3574   8.5720   0.5367   9.4460   0.4722 -0.8738000 0.7149000 
1 1 1  -23   15   14 o   18.660   0.2575   18.420   0.3933   18.890   0.3324 -0.4767000 0.5150000 
1 1 1  -23   15   15 o   7.7890   0.5247   7.0870   0.8167   8.4900   0.6589 -1.404000 1.049000 
1 1 1  -23   15   16 o   7.5180   0.5247   6.8850   0.8301   8.1510   0.6422 -1.266000 1.049000 
1 1 1  -23   15   17 f   9.3080   0.3532   9.0960   0.5070   9.5190   0.4918 -0.4230000 0.7064000 
1 1 1  -23   15   18 f   9.6290   0.3400   9.3660   0.4988   9.8910   0.4623 -0.5257000 0.6801000 
1 1 1  -23   15   19 o   8.8960   0.3604   8.9770   0.5122   8.8140   0.5071 0.1624000 0.7208000 
1 1 1  -23   15   20 o   21.480   0.2542   21.410   0.3242   21.560   0.3917 -0.1500000 0.5085000 
1 1 1  -23   15   21 o   6.5180   0.5213   6.0940   0.7066   6.9420   0.7665 -0.8478000 1.043000 
1 1 1  -23   15   22 o   3.5300   0.7576   3.4150   1.0930   3.6460   1.0490 -0.2305000 1.515000 
1 1 1  -23   15   23 o   4.8290   0.9244   4.8290   0.9244  ?   ?       ?      ? 
1 1 1  -23   15   24 o   18.090   0.3478   18.090   0.3478  ?   ?       ?      ? 
1 1 1  -23   15   25 o   2.9150   0.7741   2.3640   1.0120   3.4670   1.1710 -1.104000 1.548000 
1 1 1  -23   15   26 o   8.8700   0.4786   9.5670   0.6178   8.1730   0.7311 1.394000 0.9572000 
1 1 1  -23   15   27 o   2.5810   0.7404   2.8360   1.0910   2.3260   1.0020 0.5105000 1.481000 
1 1 1  -23   15   28 o   7.5800   0.4462   7.6040   0.6332   7.5560   0.6288 0.4851000E-01 0.8923000 
1 1 1  -23   15   29 o   3.4430   0.8023   3.8060   1.1560   3.0810   1.1120 0.7246000 1.605000 
1 1 1  -23   17    1 o   3.8750   0.7880   3.6980   1.1240   4.0530   1.1050 -0.3542000 1.576000 
1 1 1  -23   17    2 o   4.9920   0.5649   4.8700   0.8168   5.1140   0.7805 -0.2439000 1.130000 
1 1 1  -23   17    3 o   18.280   0.2020   18.210   0.2835   18.360   0.2878 -0.1473000 0.4039000 
1 1 1  -23   17    4 o   5.3670   0.5145   5.6570   0.6791   5.0770   0.7729 0.5807000 1.029000 
1 1 1  -23   17    5 o   11.940   0.2481   11.860   0.3523   12.030   0.3494 -0.1703000 0.4962000 
1 1 1  -23   17    6 o   11.350   0.2562   11.290   0.3616   11.420   0.3631 -0.1291000 0.5124000 
1 1 1  -23   17    7 o   7.7890   0.4190   7.4580   0.6058   8.1210   0.5791 -0.6628000 0.8381000 
1 1 1  -23   17    8 o   19.890   0.2590   19.720   0.4056   20.060   0.3221 -0.3393000 0.5179000 
1 1 1  -23   17    9 o   3.7280   0.7820   4.7800   1.1370   2.6750   1.0740 2.104000 1.564000 
1 1 1  -23   17   10 o   23.560   0.2567   23.490   0.4002   23.630   0.3215 -0.1423000 0.5134000 
1 1 1  -23   17   11 o   11.580   0.4450   11.570   0.7894   11.590   0.4108 -0.1347000E-01 0.8899000 
1 1 1  -23   17   12 o   11.570   0.3314   12.220   0.5085   10.920   0.4250 1.295000 0.6627000 
1 1 1  -23   17   13 o   11.510   0.2813   11.610   0.4217   11.420   0.3723 0.1848000 0.5625000 
1 1 1  -23   17   14 f   2.3900   0.6906   2.8790   1.0770   1.9000   0.8645 0.9791000 1.381000 
1 1 1  -23   17   15 o   17.980   0.2403   18.040   0.3361   17.920   0.3436 0.1216000 0.4807000 
1 1 1  -23   17   16 o   6.7880   0.4653   6.6820   0.6601   6.8950   0.6561 -0.2127000 0.9307000 
1 1 1  -23   17   17 o   16.340   0.2483   16.000   0.3568   16.690   0.3454 -0.6873000 0.4966000 
1 1 1  -23   17   18 o   6.5470   0.5325   7.0890   0.6399   6.0040   0.8513 1.085000 1.065000 
1 1 1  -23   17   19 o   10.730   0.3463   10.170   0.4632   11.290   0.5149 -1.116000 0.6926000 
1 1 1  -23   17   20 o   7.2460   0.4449   7.7670   0.5796   6.7250   0.6751 1.042000 0.8898000 
1 1 1  -23   17   21 o   14.400   0.2955   14.480   0.3766   14.320   0.4556 0.1678000 0.5911000 
1 1 1  -23   17   22 o   2.7630   0.7905   2.7060   1.0770   2.8200   1.1580 -0.1133000 1.581000 
1 1 1  -23   17   23 o   8.8950   0.3799   8.6970   0.5527   9.0920   0.5214 -0.3950000 0.7598000 
1 1 1  -23   17   24 o   3.5340   0.8267   2.5310   1.1120   4.5380   1.2240 -2.006000 1.653000 
1 1 1  -23   17   25 o   5.7120   0.8440   4.8210   1.1640   6.6030   1.2230 -1.782000 1.688000 
1 1 1  -23   17   26 o   6.5690   0.5585   6.7370   0.7232   6.4010   0.8513 0.3365000 1.117000 
1 1 1  -23   17   27 o   5.5600   0.6479   4.4320   1.0820   6.6870   0.7127 -2.255000 1.296000 
1 1 1  -23   17   28 f   2.7110   0.7810   2.5220   1.1220   2.8990   1.0870 -0.3774000 1.562000 
1 1 1  -23   19    1 o   17.180   0.2179   17.120   0.3051   17.250   0.3113 -0.1329000 0.4358000 
1 1 1  -23   19    2 o   7.9320   0.4192   7.2350   0.6433   8.6280   0.5376 -1.393000 0.8384000 
1 1 1  -23   19    3 o   16.570   0.2483   16.840   0.3496   16.310   0.3527 0.5246000 0.4966000 
1 1 1  -23   19    4 o   7.2230   0.4517   6.7960   0.6716   7.6490   0.6042 -0.8530000 0.9034000 
1 1 1  -23   19    5 o   6.2040   0.5139   6.2530   0.7192   6.1550   0.7344 0.9755000E-01 1.028000 
1 1 1  -23   19    6 o   19.040   0.2020   18.790   0.2844   19.290   0.2870 -0.5000000 0.4041000 
1 1 1  -23   19    7 o   2.9260   0.7530   3.3260   1.1240   2.5260   1.0030 0.7997000 1.506000 
1 1 1  -23   19    8 o   3.4140   0.7444   4.0160   1.0820   2.8110   1.0230 1.206000 1.489000 
1 1 1  -23   19    9 o   14.780   0.2460   15.070   0.3733   14.480   0.3205 0.5925000 0.4921000 
1 1 1  -23   19   10 o   11.320   0.2974   10.540   0.4739   12.100   0.3595 -1.559000 0.5948000 
1 1 1  -23   19   11 o   6.5560   0.4626   7.2770   0.6404   5.8350   0.6677 1.443000 0.9251000 
1 1 1  -23   19   12 o   9.0610   0.3360   9.0020   0.5071   9.1210   0.4409 -0.1193000 0.6720000 
1 1 1  -23   19   13 f   2.4240   0.7093   2.4850   1.0320   2.3620   0.9730 0.1225000 1.419000 
1 1 1  -23   19   14 o   1.9880   0.6351   2.3150   0.9945   1.6600   0.7903 0.6550000 1.270000 
1 1 1  -23   19   15 o   10.160   0.3287   10.480   0.4582   9.8440   0.4714 0.6375000 0.6575000 
1 1 1  -23   19   16 o   6.2420   0.5309   5.1230   0.8819   7.3610   0.5914 -2.238000 1.062000 
1 1 1  -23   19   17 o   3.0670   0.7769   2.7000   1.0760   3.4350   1.1210 -0.7357000 1.554000 
1 1 1  -23   19   18 o   7.3940   0.4385   7.5840   0.5996   7.2030   0.6399 0.3814000 0.8770000 
1 1 1  -23   19   19 o   7.2900   0.4930   6.6750   0.6866   7.9050   0.7078 -1.231000 0.9860000 
1 1 1  -23   19   20 o   11.100   0.3535   10.960   0.4547   11.250   0.5414 -0.2953000 0.7070000 
1 1 1  -23   19   21 o   8.2680   0.4124   8.0330   0.5964   8.5030   0.5698 -0.4700000 0.8249000 
1 1 1  -23   19   22 o   8.8380   0.5123   9.0890   0.6600   8.5870   0.7837 0.5019000 1.025000 
1 1 1  -23   19   23 o   8.4980   0.4114   7.8580   0.6219   9.1390   0.5387 -1.281000 0.8228000 
1 1 1  -23   19   24 o   2.2360   0.7015   2.4630   1.0470   2.0100   0.9343 0.4529000 1.403000 
1 1 1  -23   19   25 o   8.3810   0.4997   8.5310   0.6006   8.2300   0.7988 0.3012000 0.9994000 
1 1 1  -23   19   26 o   2.4870   0.7743   2.7840   1.1140   2.1900   1.0750 0.5944000 1.549000 
1 1 1  -23   21    1 o   18.080   0.2168   17.970   0.3059   18.200   0.3074 -0.2275000 0.4336000 
1 1 1  -23   21    2 o   5.2250   0.5591   4.4730   0.8789   5.9780   0.6912 -1.505000 1.118000 
1 1 1  -23   21    3 o   5.8630   0.4872   5.2810   0.7429   6.4450   0.6305 -1.164000 0.9744000 
1 1 1  -23   21    4 o   6.2330   0.4561   6.5350   0.6085   5.9300   0.6795 0.6049000 0.9122000 
1 1 1  -23   21    5 o   2.9350   0.7352   2.9200   1.0380   2.9510   1.0410 -0.3099000E-01 1.470000 
1 1 1  -23   21    6 o   4.1680   0.6452   3.4870   1.0100   4.8480   0.8028 -1.361000 1.290000 
1 1 1  -23   21    7 o   8.5620   0.3734   8.4060   0.5729   8.7170   0.4789 -0.3110000 0.7467000 
1 1 1  -23   21    8 o   11.070   0.3001   10.830   0.4592   11.310   0.3865 -0.4762000 0.6002000 
1 1 1  -23   21    9 o   8.9630   0.3743   8.9700   0.5307   8.9570   0.5281 0.1312000E-01 0.7487000 
1 1 1  -23   21   10 o   9.0290   0.3778   9.4310   0.5309   8.6270   0.5378 0.8041000 0.7557000 
1 1 1  -23   21   11 o   5.6500   0.5865   6.2430   0.7724   5.0570   0.8828 1.185000 1.173000 
1 1 1  -23   21   12 f   9.2490   0.3591   8.7610   0.5303   9.7370   0.4843 -0.9753000 0.7182000 
1 1 1  -23   21   13 o   4.0820   0.6899   4.9790   0.9035   3.1840   1.0430 1.795000 1.380000 
1 1 1  -23   21   14 o   9.2360   0.3407   9.4060   0.5074   9.0650   0.4548 0.3409000 0.6814000 
1 1 1  -23   21   15 o   10.860   0.3042   10.680   0.4682   11.030   0.3887 -0.3476000 0.6085000 
1 1 1  -23   21   16 o   10.340   0.3124   10.370   0.4596   10.320   0.4234 0.4280000E-01 0.6249000 
1 1 1  -23   21   17 o   2.4220   0.6969   3.0790   1.0930   1.7660   0.8648 1.313000 1.394000 
1 1 1  -23   21   18 o   2.5310   0.7606   2.5230   1.0410   2.5390   1.1100 -0.1538000E-01 1.521000 
1 1 1  -23   21   19 o   4.4760   0.8418   5.3710   1.0350   3.5820   1.3280 1.790000 1.684000 
1 1 1  -23   21   20 o   3.5570   0.7819   4.0390   1.0870   3.0750   1.1240 0.9640000 1.564000 
1 1 1  -23   21   21 o   4.9000   0.6764   3.8650   1.1040   5.9340   0.7819 -2.069000 1.353000 
1 1 1  -23   21   22 o   2.7710   0.7588   2.3290   1.0200   3.2120   1.1240 -0.8832000 1.518000 
1 1 1  -23   21   23 o   3.1460   0.7977   3.5110   1.1440   2.7820   1.1120 0.7291000 1.595000 
1 1 1  -23   21   24 o   3.9510   0.7945   3.6020   1.1650   4.3000   1.0800 -0.6988000 1.589000 
1 1 1  -23   23    1 o   9.2610   0.3272   9.2100   0.4632   9.3130   0.4623 -0.1028000 0.6545000 
1 1 1  -23   23    2 o   6.8860   0.4108   6.6060   0.5958   7.1670   0.5659 -0.5610000 0.8217000 
1 1 1  -23   23    3 o   8.4190   0.3513   8.4520   0.4935   8.3860   0.5000 0.6574000E-01 0.7025000 
1 1 1  -23   23    4 o   17.170   0.2210   16.860   0.3118   17.490   0.3132 -0.6329000 0.4420000 
1 1 1  -23   23    5 o   5.8290   0.4941   5.7690   0.6975   5.8890   0.7001 -0.1200000 0.9882000 
1 1 1  -23   23    6 f   5.6220   0.5084   5.7850   0.6888   5.4600   0.7481 0.3250000 1.017000 
1 1 1  -23   23    7 o   7.8580   0.4040   7.8140   0.6205   7.9020   0.5176 -0.8823000E-01 0.8080000 
1 1 1  -23   23    8 o   2.2770   0.6974   2.2400   0.9974   2.3140   0.9751 -0.7404000E-01 1.395000 
1 1 1  -23   23    9 o   5.7970   0.5393   6.4230   0.7312   5.1710   0.7929 1.252000 1.079000 
1 1 1  -23   23   10 o   2.6540   0.7297   2.3480   1.0230   2.9600   1.0410 -0.6117000 1.459000 
1 1 1  -23   23   11 o   9.2010   0.3608   8.7280   0.5783   9.6730   0.4316 -0.9446000 0.7216000 
1 1 1  -23   23   12 o   6.3110   0.4996   5.7960   0.8155   6.8260   0.5774 -1.030000 0.9992000 
1 1 1  -23   23   13 o   5.7600   0.5207   5.7830   0.7804   5.7360   0.6894 0.4691000E-01 1.041000 
1 1 1  -23   23   14 o   6.0230   0.6812   5.8750   0.9500   6.1700   0.9766 -0.2945000 1.362000 
1 1 1  -23   23   15 o   4.5940   0.8909   5.4730   1.0060   3.7160   1.4710 1.756000 1.782000 
1 1 1  -23   23   16 o   5.8430   0.7303   6.3290   0.8890   5.3560   1.1590 0.9734000 1.461000 
1 1 1  -23   23   17 o   4.7530   0.6511   4.2760   1.0420   5.2300   0.7807 -0.9533000 1.302000 
1 1 1  -23   23   18 o   1.9390   0.6367   2.1020   0.9553   1.7760   0.8419 0.3255000 1.273000 
1 1 1  -23   23   19 o   2.2940   0.7002   2.6240   1.0710   1.9650   0.9021 0.6589000 1.400000 
1 1 1  -23   23   20 o   5.4550   0.5988   5.5910   0.8712   5.3190   0.8218 0.2720000 1.198000 
1 1 1  -23   23   21 o   4.7420   0.7124   5.7670   0.8430   3.7160   1.1490 2.051000 1.425000 
1 1 1  -23   23   22 o   6.2470   0.8688   5.1100   1.5820   7.3840   0.7191 -2.274000 1.738000 
1 1 1  -23   25    1 o   4.3280   0.7252   5.2980   0.8807   3.3590   1.1520 1.940000 1.450000 
1 1 1  -23   25    2 o   5.6910   0.5334   6.1140   0.6927   5.2670   0.8112 0.8472000 1.067000 
1 1 1  -23   25    3 o   3.9390   0.6946   4.6570   0.8887   3.2210   1.0680 1.437000 1.389000 
1 1 1  -23   25    4 o   7.0460   0.4308   7.2010   0.5924   6.8910   0.6255 0.3101000 0.8615000 
1 1 1  -23   25    5 o   6.0140   0.5645   5.7770   0.8147   6.2500   0.7817 -0.4731000 1.129000 
1 1 1  -23   25    6 o   11.310   0.3271   11.470   0.4489   11.140   0.4760 0.3263000 0.6542000 
1 1 1  -23   25    7 o   14.190   0.3167   13.820   0.4920   14.560   0.3989 -0.7356000 0.6334000 
1 1 1  -23   25    8 o   10.860   0.3691   10.940   0.5632   10.780   0.4772 0.1611000 0.7382000 
1 1 1  -23   25    9 f   11.310   0.3597   11.490   0.5475   11.140   0.4668 0.3481000 0.7195000 
1 1 1  -23   25   10 o   4.5230   0.7892   4.4410   1.2030   4.6050   1.0220 -0.1639000 1.578000 
1 1 1  -23   25   11 o   2.4480   0.7046   2.0360   0.9439   2.8600   1.0460 -0.8244000 1.409000 
1 1 1  -23   25   12 o   6.8210   0.5775   6.9630   0.7170   6.6780   0.9055 0.2853000 1.155000 
1 1 1  -23   25   13 o   2.2960   0.7307   2.0890   0.9580   2.5040   1.1040 -0.4149000 1.461000 
1 1 1  -23   25   14 o   2.7910   0.7555   3.0490   1.1160   2.5320   1.0190 0.5167000 1.511000 
1 1 1  -23   25   15 o   2.7980   0.7567   2.6440   1.0780   2.9520   1.0620 -0.3080000 1.513000 
1 1 1  -23   25   16 o   4.5030   0.6990   5.0710   0.9381   3.9350   1.0360 1.137000 1.398000 
1 1 1  -23   25   17 f   2.1520   0.6819   2.4100   1.0380   1.8940   0.8846 0.5157000 1.364000 
1 1 1  -23   25   18 o   2.5670   0.7591   2.2850   1.0140   2.8480   1.1300 -0.5630000 1.518000 
1 1 1  -23   25   19 o   2.1130   0.7363   2.3440   1.1460   1.8830   0.9248 0.4608000 1.473000 
1 1 1  -23   27    1 o   4.8020   0.6340   4.7710   0.9244   4.8340   0.8680 -0.6248000E-01 1.268000 
1 1 1  -23   27    2 o   3.1090   0.7396   2.5660   1.0370   3.6510   1.0550 -1.085000 1.479000 
1 1 1  -23   27    3 o   3.6450   0.7339   4.2510   0.9964   3.0390   1.0780 1.212000 1.468000 
1 1 1  -23   27    4 o   6.3900   0.4865   5.8630   0.7453   6.9180   0.6254 -1.055000 0.9729000 
1 1 1  -23   27    5 o   2.4780   0.7202   2.5510   1.0330   2.4060   1.0030 0.1447000 1.440000 
1 1 1  -23   27    6 o   6.5060   0.4641   6.9500   0.6218   6.0620   0.6891 0.8879000 0.9282000 
1 1 1  -23   27    7 f   2.2640   0.7013   2.0960   0.9738   2.4320   1.0090 -0.3364000 1.403000 
1 1 1  -23   27    8 o   2.8240   0.7585   2.5490   1.0690   3.0990   1.0760 -0.5498000 1.517000 
1 1 1  -23   27    9 o   7.5000   0.5431   7.3960   0.6663   7.6030   0.8578 -0.2066000 1.086000 
1 1 1  -23   27   10 o   2.2570   0.7352   2.2130   1.0070   2.3010   1.0720 -0.8778000E-01 1.470000 
1 1 1  -23   27   11 o   2.4760   0.7509   2.2360   1.0140   2.7160   1.1080 -0.4804000 1.502000 
1 1 1  -23   27   12 o   4.4440   0.7286   3.9160   1.1750   4.9730   0.8616 -1.057000 1.457000 
1 1 1  -23   27   13 o   1.9660   0.6520   1.7460   0.8508   2.1850   0.9881 -0.4394000 1.304000 
1 1 1  -23   27   14 o   3.6230   0.8991   2.7580   1.2940   4.4870   1.2490 -1.730000 1.798000 
1 1 1  -23   27   15 o   2.1330   0.7466   2.6110   1.2440   1.6550   0.8262 0.9561000 1.493000 
1 1 1  -23   29    1 o   1.9490   0.6532   1.7550   0.8552   2.1440   0.9877 -0.3892000 1.306000 
1 1 1  -23   29    2 o   3.4690   0.8094   2.5700   1.1580   4.3680   1.1320 -1.798000 1.619000 
1 1 1  -23   29    3 o   2.9410   0.8462   3.0960   1.2650   2.7850   1.1240 0.3107000 1.692000 
1 1 1  -23   29    4 o   1.9910   0.6792   2.2340   1.0600   1.7490   0.8492 0.4847000 1.358000 
1 1 1  -23   29    5 o   3.2910   0.8886   3.9070   1.3390   2.6740   1.1680 1.233000 1.777000 
1 1 1  -23   29    6 o   2.1060   0.7218   2.3380   1.0910   1.8740   0.9450 0.4639000 1.444000 
1 1 1  -23   29    7 o   2.7340   0.9065   2.1930   1.0890   3.2750   1.4500 -1.081000 1.813000 
1 1 1  -23   29    8 o   9.1510   0.5316   9.3890   0.7315   8.9130   0.7716 0.4766000 1.063000 
1 1 1  -23   29    9 o   3.1090   0.8014   3.8120   1.2050   2.4060   1.0570 1.406000 1.603000 
1 1 1  -22    0    1 f   36.450   0.3736   36.450   0.3736   36.450   0.3736 -0.000000 0.000000 
1 1 1  -22    0    2 o   12.550   0.1879   12.550   0.1879   12.550   0.1879 -0.000000 0.000000 
1 1 1  -22    0    3 o   13.060   0.1786   13.060   0.1786   13.060   0.1786 -0.000000 0.000000 
1 1 1  -22    0    4 o   63.270   0.5170   63.270   0.5170   63.270   0.5170 -0.000000 0.000000 
1 1 1  -22    0    5 o   1.6720   0.5578   1.6720   0.5578   1.6720   0.5578 -0.000000 0.000000 
1 1 1  -22    0    6 o   33.780   0.2440   33.780   0.2440   33.780   0.2440 -0.000000 0.000000 
1 1 1  -22    0    7 o   50.320   0.5068   50.320   0.5068   50.320   0.5068 -0.000000 0.000000 
1 1 1  -22    0    8 o   23.980   0.2662   23.980   0.2662   23.980   0.2662 -0.000000 0.000000 
1 1 1  -22    0    9 o   17.040   0.1603   17.040   0.1603   17.040   0.1603 -0.000000 0.000000 
1 1 1  -22    0   10 o   21.950   0.2142   21.950   0.2142   21.950   0.2142 -0.000000 0.000000 
1 1 1  -22    0   11 o   56.090   0.4015   56.090   0.4015   56.090   0.4015 -0.000000 0.000000 
1 1 1  -22    0   12 o   31.730   0.2449   31.730   0.2449   31.730   0.2449 -0.000000 0.000000 
1 1 1  -22    0   13 o   73.230   0.7373   73.230   0.7373   73.230   0.7373 -0.000000 0.000000 
1 1 1  -22    0   14 o   70.610   0.5836   70.610   0.5836   70.610   0.5836 -0.000000 0.000000 
1 1 1  -22    0   15 o   58.620   0.6002   58.620   0.6002   58.620   0.6002 -0.000000 0.000000 
1 1 1  -22    0   16 o   38.150   0.4161   38.150   0.4161   38.150   0.4161 -0.000000 0.000000 
1 1 1  -22    0   17 o   7.9210   0.3767   7.9210   0.3767   7.9210   0.3767 -0.000000 0.000000 
1 1 1  -22    0   18 o   44.290   0.3368   44.290   0.3368   44.290   0.3368 -0.000000 0.000000 
1 1 1  -22    0   19 o   41.920   0.3247   41.920   0.3247   41.920   0.3247 -0.000000 0.000000 
1 1 1  -22    0   20 o   5.7240   0.5657   5.7240   0.5657   5.7240   0.5657 -0.000000 0.000000 
1 1 1  -22    0   21 o   11.140   0.4402   11.140   0.4402   11.140   0.4402 -0.000000 0.000000 
1 1 1  -22    0   22 o   7.2940   0.4622   7.2940   0.4622   7.2940   0.4622 -0.000000 0.000000 
1 1 1  -22    0   23 o   25.160   0.2551   25.160   0.2551   25.160   0.2551 -0.000000 0.000000 
1 1 1  -22    0   24 o   4.2690   0.8622   4.2690   0.8622   4.2690   0.8622 -0.000000 0.000000 
1 1 1  -22    0   25 o   6.9430   0.7245   6.9430   0.7245   6.9430   0.7245 -0.000000 0.000000 
1 1 1  -22    0   26 o   6.6320   0.5318   6.6320   0.5318   6.6320   0.5318 -0.000000 0.000000 
1 1 1  -22    0   27 o   23.270   0.2622   23.270   0.2622   23.270   0.2622 -0.000000 0.000000 
1 1 1  -22    0   28 o   20.630   0.2659   20.630   0.2659   20.630   0.2659 -0.000000 0.000000 
1 1 1  -22    0   29 o   6.0250   0.6022   6.0250   0.6022   6.0250   0.6022 -0.000000 0.000000 
1 1 1  -22    0   30 o   1.6540   1.0310   1.6540   1.0310   1.6540   1.0310 -0.000000 0.000000 
1 1 1  -22    0   31 o   9.1730   0.4836   9.1730   0.4836   9.1730   0.4836 -0.000000 0.000000 
1 1 1  -22    0   32 o   1.7480   1.1060   1.7480   1.1060   1.7480   1.1060 -0.000000 0.000000 
1 1 1  -22    0   33 o   1.6410   1.1030   1.6410   1.1030   1.6410   1.1030 -0.000000 0.000000 
1 1 1  -22    0   34 o   0.9262   0.6796   0.9262   0.6796   0.9262   0.6796 -0.000000 0.000000 
1 1 1  -22    2    1 o   13.840   0.1203   14.040   0.1797   13.640   0.1600 0.4056000 0.2406000 
1 1 1  -22    2    2 o   8.9540   0.1303   8.8040   0.2184   9.1040   0.1423 -0.3000000 0.2606000 
1 1 1  -22    2    3 o   17.260   0.2297   17.820   0.3256   16.710   0.3240 1.117000 0.4593000 
1 1 1  -22    2    4 o   31.140   0.3288   31.330   0.4663   30.950   0.4636 0.3808000 0.6576000 
1 1 1  -22    2    5 o   28.240   0.2601   28.540   0.4299   27.940   0.2930 0.5930000 0.5203000 
1 1 1  -22    2    6 f   3.7220   0.2496   3.8580   0.3068   3.5850   0.3937 0.2731000 0.4991000 
1 1 1  -22    2    7 o   20.250   0.1367   20.110   0.1922   20.380   0.1946 -0.2720000 0.2735000 
1 1 1  -22    2    8 o   23.410   0.1527   23.580   0.2167   23.240   0.2152 0.3398000 0.3054000 
1 1 1  -22    2    9 f   31.110   0.1794   31.350   0.2360   30.880   0.2701 0.4743000 0.3587000 
1 1 1  -22    2   10 o   36.310   0.2062   36.170   0.2690   36.440   0.3126 -0.2730000 0.4124000 
1 1 1  -22    2   11 f   43.120   0.2414   42.970   0.3148   43.270   0.3660 -0.3073000 0.4828000 
1 1 1  -22    2   12 f   71.840   0.4687   70.900   0.5839   72.780   0.7335 -1.873000 0.9375000 
1 1 1  -22    2   13 o   43.020   0.3194   43.100   0.4519   42.950   0.4515 0.1497000 0.6388000 
1 1 1  -22    2   14 o   45.220   0.3060   45.090   0.4732   45.340   0.3880 -0.2494000 0.6120000 
1 1 1  -22    2   15 o   47.290   0.2684   46.770   0.3481   47.820   0.4087 -1.046000 0.5369000 
1 1 1  -22    2   16 o   38.030   0.3262   38.510   0.2986   37.540   0.5800 0.9715000 0.6524000 
1 1 1  -22    2   17 o   37.430   0.3251   37.760   0.2969   37.110   0.5785 0.6477000 0.6502000 
1 1 1  -22    2   18 o   20.970   0.2537   20.990   0.2358   20.950   0.4493 0.3957000E-01 0.5074000 
1 1 1  -22    2   19 o   21.750   0.1828   21.810   0.2411   21.690   0.2747 0.1252000 0.3655000 
1 1 1  -22    2   20 o   9.6770   0.3149   9.8010   0.3968   9.5530   0.4890 0.2477000 0.6297000 
1 1 1  -22    2   21 o   27.590   0.3002   27.590   0.3002  ?   ?       ?      ? 
1 1 1  -22    2   22 o   6.7460   0.3677   6.5760   0.5053   6.9150   0.5344 -0.3382000 0.7355000 
1 1 1  -22    2   23 o   8.9300   0.2932   8.8470   0.3904   9.0120   0.4375 -0.1655000 0.5864000 
1 1 1  -22    2   24 o   8.3640   0.3158   8.1000   0.4309   8.6270   0.4618 -0.5275000 0.6317000 
1 1 1  -22    2   25 o   25.160   0.3242   25.260   0.3786   25.060   0.5263 0.1984000 0.6483000 
1 1 1  -22    2   26 o   10.850   0.2844   10.850   0.3936   10.850   0.4105 0.4591000E-02 0.5687000 
1 1 1  -22    2   27 o   8.8720   0.3024   8.2170   0.4281   9.5270   0.4272 -1.310000 0.6048000 
1 1 1  -22    2   28 o   4.4410   0.5781   4.5300   0.7534   4.3520   0.8771 0.1773000 1.156000 
1 1 1  -22    2   29 o   3.4620   0.6939   2.8810   0.9881   4.0430   0.9745 -1.162000 1.388000 
1 1 1  -22    2   30 o   5.7470   0.4757   5.4930   0.6611   6.0020   0.6842 -0.5095000 0.9514000 
1 1 1  -22    2   31 o   5.9380   0.4740   6.1520   0.6006   5.7250   0.7334 0.4269000 0.9479000 
1 1 1  -22    2   32 o   12.060   0.3266   12.040   0.4080   12.070   0.5102 -0.3012000E-01 0.6533000 
1 1 1  -22    2   33 o   5.4220   0.5968   5.6410   0.8120   5.2020   0.8748 0.4392000 1.194000 
1 1 1  -22    2   34 o   3.0650   0.7185   2.0860   0.9281   4.0440   1.0970 -1.957000 1.437000 
1 1 1  -22    4    1 o   25.470   0.2382  ?   ?    25.470   0.2382      ?      ? 
1 1 1  -22    4    2 o   33.660   0.1902   33.520   0.2856   33.800   0.2512 -0.2767000 0.3803000 
1 1 1  -22    4    3 o   27.680   0.1499   27.900   0.2129   27.460   0.2110 0.4408000 0.2998000 
1 1 1  -22    4    4 f   19.090   0.1287   19.070   0.1953   19.110   0.1675 -0.3730000E-01 0.2573000 
1 1 1  -22    4    5 o   41.700   0.2320   41.940   0.3532   41.460   0.3010 0.4815000 0.4640000 
1 1 1  -22    4    6 o   41.630   0.2481   41.550   0.3504   41.700   0.3514 -0.1516000 0.4962000 
1 1 1  -22    4    7 o   52.150   0.3430   51.790   0.5295   52.510   0.4362 -0.7201000 0.6860000 
1 1 1  -22    4    8 o   29.920   0.1906   29.340   0.2669   30.500   0.2721 -1.165000 0.3811000 
1 1 1  -22    4    9 o   19.710   0.1720   20.140   0.2703   19.280   0.2126 0.8627000 0.3439000 
1 1 1  -22    4   10 f   25.340   0.2121   24.760   0.2999   25.920   0.3001 -1.156000 0.4242000 
1 1 1  -22    4   11 o   31.480   0.3019   31.260   0.4924   31.700   0.3495 -0.4416000 0.6038000 
1 1 1  -22    4   12 o   28.260   0.2335   28.250   0.3297   28.280   0.3309 -0.2981000E-01 0.4671000 
1 1 1  -22    4   13 o   49.630   0.3334   49.530   0.4214   49.730   0.5168 -0.1984000 0.6668000 
1 1 1  -22    4   14 o   30.470   0.1915   30.570   0.2522   30.380   0.2882 0.1863000 0.3829000 
1 1 1  -22    4   15 o   14.030   0.1941   14.710   0.2686   13.360   0.2802 1.350000 0.3882000 
1 1 1  -22    4   16 o   7.6300   0.2871   7.6500   0.3773   7.6090   0.4329 0.4087000E-01 0.5743000 
1 1 1  -22    4   17 o   21.920   0.1808   22.230   0.2364   21.620   0.2736 0.6134000 0.3616000 
1 1 1  -22    4   18 o   33.940   0.3188   34.590   0.3304   33.280   0.5452 1.312000 0.6376000 
1 1 1  -22    4   19 o   21.010   0.2627   20.880   0.2424   21.130   0.4661 -0.2508000 0.5254000 
1 1 1  -22    4   20 o   3.7010   0.7220   3.2340   0.9983   4.1690   1.0430 -0.9349000 1.444000 
1 1 1  -22    4   21 o   17.640   0.2072   17.700   0.2982   17.570   0.2878 0.1322000 0.4144000 
1 1 1  -22    4   22 o   9.4880   0.2759   9.7680   0.3641   9.2090   0.4147 0.5588000 0.5519000 
1 1 1  -22    4   23 o   19.610   0.1936   19.760   0.2575   19.460   0.2892 0.3019000 0.3872000 
1 1 1  -22    4   24 o   19.820   0.2321   19.940   0.3071   19.700   0.3480 0.2436000 0.4642000 
1 1 1  -22    4   25 o   15.930   0.3110   15.960   0.3249   15.910   0.5304 0.4963000E-01 0.6220000 
1 1 1  -22    4   26 o   14.110   0.2275   13.930   0.3043   14.290   0.3384 -0.3652000 0.4551000 
1 1 1  -22    4   27 o   6.7450   0.3907   6.9950   0.4966   6.4950   0.6033 0.4998000 0.7814000 
1 1 1  -22    4   28 o   2.1190   0.6356   1.6000   0.7615   2.6380   1.0180 -1.037000 1.271000 
1 1 1  -22    4   29 o   9.8330   0.3014   9.5620   0.4027   10.100   0.4486 -0.5406000 0.6028000 
1 1 1  -22    4   30 o   6.5670   0.4344   7.1420   0.5151   5.9920   0.6996 1.150000 0.8688000 
1 1 1  -22    4   31 o   9.2560   0.3216   9.1160   0.4342   9.3950   0.4744 -0.2795000 0.6431000 
1 1 1  -22    4   32 o   11.450   0.3501   11.290   0.4356   11.620   0.5482 -0.3354000 0.7002000 
1 1 1  -22    4   33 o   2.3390   0.7032   2.7090   1.0740   1.9680   0.9075 0.7412000 1.406000 
1 1 1  -22    6    1 o   27.000   0.1675   27.220   0.2524   26.780   0.2203 0.4385000 0.3350000 
1 1 1  -22    6    2 o   39.620   0.2079   39.370   0.2924   39.860   0.2957 -0.4973000 0.4159000 
1 1 1  -22    6    3 o   10.090   0.1781   9.7390   0.2584   10.440   0.2453 -0.7021000 0.3563000 
1 1 1  -22    6    4 o   25.530   0.1980   25.230   0.3080   25.830   0.2489 -0.6014000 0.3960000 
1 1 1  -22    6    5 o   23.420   0.1889   23.140   0.2941   23.700   0.2371 -0.5537000 0.3778000 
1 1 1  -22    6    6 f   21.310   0.1512   21.240   0.2304   21.370   0.1957 -0.1221000 0.3023000 
1 1 1  -22    6    7 f   24.930   0.2134   25.180   0.3053   24.680   0.2984 0.4975000 0.4269000 
1 1 1  -22    6    8 o   17.780   0.1948   17.630   0.2792   17.940   0.2717 -0.3077000 0.3896000 
1 1 1  -22    6    9 o   43.500   0.3230   44.040   0.4636   42.970   0.4499 1.072000 0.6460000 
1 1 1  -22    6   10 o   33.770   0.2422   33.530   0.3744   34.020   0.3074 -0.4858000 0.4844000 
1 1 1  -22    6   11 o   29.410   0.2464   29.170   0.3514   29.660   0.3455 -0.4965000 0.4928000 
1 1 1  -22    6   12 o   35.340   0.2545   35.710   0.3261   34.970   0.3909 0.7418000 0.5091000 
1 1 1  -22    6   13 o   47.830   0.2909   47.960   0.4131   47.700   0.4098 0.2583000 0.5819000 
1 1 1  -22    6   14 o   27.400   0.1998   27.370   0.2846   27.430   0.2805 -0.6065000E-01 0.3996000 
1 1 1  -22    6   15 o   6.9550   0.3462   6.6530   0.5229   7.2570   0.4539 -0.6039000 0.6924000 
1 1 1  -22    6   16 o   17.370   0.1954   17.710   0.2787   17.030   0.2739 0.6819000 0.3908000 
1 1 1  -22    6   17 o   37.930   0.2314   37.750   0.3016   38.120   0.3510 -0.3710000 0.4627000 
1 1 1  -22    6   18 o   29.070   0.2139   29.270   0.3027   28.860   0.3023 0.4061000 0.4278000 
1 1 1  -22    6   19 o   9.0960   0.3596   9.4570   0.4127   8.7340   0.5890 0.7236000 0.7192000 
1 1 1  -22    6   20 o   15.290   0.2973   15.600   0.3066   14.980   0.5093 0.6163000 0.5945000 
1 1 1  -22    6   21 o   18.950   0.2298   19.010   0.2914   18.880   0.3555 0.1277000 0.4597000 
1 1 1  -22    6   22 o   5.1380   0.4921   5.2580   0.6413   5.0170   0.7465 0.2411000 0.9842000 
1 1 1  -22    6   23 o   16.810   0.2016   16.770   0.2685   16.840   0.3008 -0.6505000E-01 0.4032000 
1 1 1  -22    6   24 o   5.2820   0.5822   6.1270   0.6737   4.4380   0.9498 1.689000 1.164000 
1 1 1  -22    6   25 f   10.780   0.3168   10.620   0.4095   10.950   0.4836 -0.3322000 0.6337000 
1 1 1  -22    6   26 o   11.480   0.2556   11.800   0.3395   11.160   0.3822 0.6358000 0.5112000 
1 1 1  -22    6   27 o   6.7050   0.3991   6.3940   0.5647   7.0170   0.5641 -0.6229000 0.7982000 
1 1 1  -22    6   28 o   8.6090   0.3282   8.6200   0.4369   8.5970   0.4898 0.2304000E-01 0.6564000 
1 1 1  -22    6   29 o   11.820   0.2633   11.810   0.3561   11.830   0.3881 -0.2743000E-01 0.5267000 
1 1 1  -22    6   30 o   11.870   0.2668   12.050   0.3524   11.690   0.4006 0.3588000 0.5335000 
1 1 1  -22    6   31 o   2.2740   0.7187   2.1640   0.9661   2.3850   1.0640 -0.2208000 1.437000 
1 1 1  -22    6   32 o   3.5360   0.8143   3.3200   1.0490   3.7530   1.2460 -0.4326000 1.629000 
1 1 1  -22    6   33 o   2.6400   0.7787   2.1830   0.9842   3.0970   1.2070 -0.9143000 1.557000 
1 1 1  -22    8    1 o   20.580   0.1549   20.620   0.2322   20.540   0.2052 0.8106000E-01 0.3099000 
1 1 1  -22    8    2 o   26.450   0.1741   26.290   0.2637   26.620   0.2275 -0.3391000 0.3483000 
1 1 1  -22    8    3 o   23.030   0.1499   23.030   0.2125   23.030   0.2116 0.4103000E-02 0.2999000 
1 1 1  -22    8    4 o   39.260   0.2101   39.190   0.2969   39.340   0.2975 -0.1488000 0.4203000 
1 1 1  -22    8    5 o   55.490   0.3080   55.360   0.4652   55.630   0.4038 -0.2741000 0.6160000 
1 1 1  -22    8    6 o   25.610   0.1723   25.300   0.2605   25.920   0.2255 -0.6202000 0.3446000 
1 1 1  -22    8    7 o   29.040   0.2126   29.220   0.3512   28.860   0.2397 0.3598000 0.4252000 
1 1 1  -22    8    8 o   50.820   0.3422   50.890   0.5314   50.740   0.4312 0.1462000 0.6843000 
1 1 1  -22    8    9 o   40.090   0.2816   40.300   0.4380   39.880   0.3541 0.4187000 0.5632000 
1 1 1  -22    8   10 o   5.3410   0.4658   5.8260   0.5467   4.8560   0.7544 0.9696000 0.9317000 
1 1 1  -22    8   11 o   38.230   0.2442   38.650   0.3488   37.810   0.3417 0.8380000 0.4883000 
1 1 1  -22    8   12 o   51.300   0.3109   51.250   0.4399   51.340   0.4394 -0.8802000E-01 0.6218000 
1 1 1  -22    8   13 o   36.810   0.2400   36.820   0.3406   36.800   0.3382 0.2261000E-01 0.4800000 
1 1 1  -22    8   14 o   5.7070   0.4489   6.2290   0.5818   5.1850   0.6839 1.044000 0.8979000 
1 1 1  -22    8   15 o   22.780   0.2308   23.320   0.3660   22.240   0.2813 1.083000 0.4616000 
1 1 1  -22    8   16 o   23.720   0.2062   23.890   0.2969   23.550   0.2863 0.3333000 0.4124000 
1 1 1  -22    8   17 o   35.780   0.2963   35.690   0.4182   35.870   0.4197 -0.1876000 0.5925000 
1 1 1  -22    8   18 o   31.550   0.2266   31.620   0.3231   31.490   0.3177 0.1287000 0.4532000 
1 1 1  -22    8   19 f   6.1190   0.4495   5.8670   0.6738   6.3710   0.5953 -0.5041000 0.8991000 
1 1 1  -22    8   20 o   2.8290   0.7328   3.4450   1.1210   2.2130   0.9440 1.232000 1.466000 
1 1 1  -22    8   21 o   18.280   0.2861   18.010   0.2649   18.550   0.5072 -0.5365000 0.5722000 
1 1 1  -22    8   22 o   12.290   0.3754   13.110   0.3664   11.480   0.6553 1.630000 0.7508000 
1 1 1  -22    8   23 o   23.780   0.2377   23.980   0.3071   23.590   0.3628 0.3891000 0.4753000 
1 1 1  -22    8   24 o   14.430   0.2293   14.360   0.2994   14.500   0.3475 -0.1472000 0.4587000 
1 1 1  -22    8   25 o   8.9060   0.3659   8.9650   0.4620   8.8470   0.5675 0.1182000 0.7318000 
1 1 1  -22    8   26 o   17.930   0.2098   18.240   0.2806   17.620   0.3121 0.6216000 0.4197000 
1 1 1  -22    8   27 o   14.480   0.2308   14.670   0.3092   14.300   0.3427 0.3677000 0.4616000 
1 1 1  -22    8   28 o   10.450   0.2869   10.600   0.3893   10.300   0.4214 0.3018000 0.5737000 
1 1 1  -22    8   29 f   5.9490   0.4738   6.0280   0.6417   5.8690   0.6974 0.1593000 0.9477000 
1 1 1  -22    8   30 o   2.7490   0.7290   2.5470   0.9994   2.9520   1.0620 -0.4048000 1.458000 
1 1 1  -22    8   31 o   2.9740   0.7927   3.6210   1.1070   2.3260   1.1340 1.295000 1.585000 
1 1 1  -22    8   32 o   6.7850   0.4804   6.6800   0.7123   6.8900   0.6447 -0.2100000 0.9607000 
1 1 1  -22    8   33 f   8.6770   1.0760   8.6770   1.0760  ?   ?       ?      ? 
1 1 1  -22   10    1 o   9.1010   0.2589   8.7860   0.3908   9.4160   0.3396 -0.6296000 0.5178000 
1 1 1  -22   10    2 o   43.950   0.2725   44.170   0.3873   43.740   0.3835 0.4320000 0.5450000 
1 1 1  -22   10    3 o   19.470   0.1820   19.580   0.2604   19.360   0.2544 0.2175000 0.3640000 
1 1 1  -22   10    4 o   5.6470   0.3882   5.8190   0.5481   5.4760   0.5498 0.3435000 0.7764000 
1 1 1  -22   10    5 o   20.960   0.2114   20.760   0.3345   21.160   0.2584 -0.3993000 0.4227000 
1 1 1  -22   10    6 o   35.260   0.2599   35.220   0.4049   35.310   0.3261 -0.9393000E-01 0.5199000 
1 1 1  -22   10    7 o   26.650   0.1977   26.420   0.2810   26.890   0.2782 -0.4727000 0.3954000 
1 1 1  -22   10    8 o   38.060   0.2291   37.910   0.3468   38.200   0.2993 -0.2822000 0.4581000 
1 1 1  -22   10    9 o   35.370   0.2189   35.480   0.3324   35.260   0.2848 0.2231000 0.4377000 
1 1 1  -22   10   10 o   10.340   0.2628   10.290   0.3667   10.380   0.3765 -0.9030000E-01 0.5256000 
1 1 1  -22   10   11 o   31.550   0.2212   31.430   0.3130   31.670   0.3126 -0.2427000 0.4424000 
1 1 1  -22   10   12 o   30.010   0.2169   30.030   0.3073   29.990   0.3063 0.3738000E-01 0.4338000 
1 1 1  -22   10   13 o   13.630   0.2304   13.610   0.3280   13.650   0.3237 -0.3617000E-01 0.4608000 
1 1 1  -22   10   14 o   6.8130   0.5059   6.1110   0.8616   7.5160   0.5304 -1.405000 1.012000 
1 1 1  -22   10   15 o   49.920   0.3792   49.810   0.5354   50.030   0.5370 -0.2271000 0.7583000 
1 1 1  -22   10   16 o   26.830   0.2637   26.620   0.3732   27.050   0.3727 -0.4288000 0.5274000 
1 1 1  -22   10   17 o   9.3510   0.3171   9.6440   0.4478   9.0580   0.4491 0.5853000 0.6342000 
1 1 1  -22   10   18 o   14.770   0.2378   14.350   0.3534   15.190   0.3183 -0.8443000 0.4756000 
1 1 1  -22   10   19 f   19.100   0.2423   19.480   0.3807   18.730   0.2999 0.7581000 0.4846000 
1 1 1  -22   10   20 o   21.090   0.2185   21.150   0.3185   21.040   0.2993 0.1065000 0.4371000 
1 1 1  -22   10   21 o   3.6290   0.7927   4.7010   1.1730   2.5580   1.0670 2.143000 1.585000 
1 1 1  -22   10   22 o   9.9500   0.4681   11.160   0.4151   8.7400   0.8392 2.420000 0.9363000 
1 1 1  -22   10   23 o   12.030   0.3847   11.950   0.3932   12.120   0.6614 -0.1722000 0.7694000 
1 1 1  -22   10   24 o   15.210   0.2717   15.650   0.3383   14.770   0.4252 0.8801000 0.5434000 
1 1 1  -22   10   25 o   10.530   0.2894   10.030   0.3975   11.030   0.4208 -0.9958000 0.5789000 
1 1 1  -22   10   26 o   10.600   0.2852   10.750   0.3767   10.450   0.4283 0.2968000 0.5704000 
1 1 1  -22   10   27 o   14.690   0.2362   14.540   0.3173   14.850   0.3500 -0.3047000 0.4724000 
1 1 1  -22   10   28 o   1.5320   0.5283   1.6690   0.7956   1.3940   0.6954 0.2749000 1.057000 
1 1 1  -22   10   29 o   7.1910   0.4675   7.3080   0.5388   7.0750   0.7641 0.2326000 0.9349000 
1 1 1  -22   10   30 o   2.3240   0.7590   2.3720   1.0200   2.2770   1.1240 0.9467000E-01 1.518000 
1 1 1  -22   10   31 o   8.2500   0.3753   8.8010   0.4746   7.6980   0.5815 1.103000 0.7506000 
1 1 1  -22   10   32 o   2.2930   0.6976   2.7620   1.1000   1.8240   0.8579 0.9379000 1.395000 
1 1 1  -22   12    1 o   25.110   0.1749   25.360   0.2478   24.860   0.2470 0.5004000 0.3499000 
1 1 1  -22   12    2 o   32.550   0.2436   33.010   0.4033   32.100   0.2734 0.9118000 0.4872000 
1 1 1  -22   12    3 o   19.900   0.2147   19.800   0.3563   19.990   0.2396 -0.1911000 0.4293000 
1 1 1  -22   12    4 f   12.930   0.2788  ?   ?    12.930   0.2788      ?      ? 
1 1 1  -22   12    5 o   49.870   0.2651   49.710   0.3740   50.040   0.3757 -0.3290000 0.5301000 
1 1 1  -22   12    6 o   66.930   0.3721   67.160   0.5648   66.690   0.4845 0.4732000 0.7441000 
1 1 1  -22   12    7 o   24.320   0.1895   24.190   0.2885   24.440   0.2460 -0.2476000 0.3791000 
1 1 1  -22   12    8 o   14.460   0.2217   14.340   0.3197   14.570   0.3073 -0.2286000 0.4434000 
1 1 1  -22   12    9 o   28.240   0.2002   28.370   0.3045   28.120   0.2599 0.2544000 0.4004000 
1 1 1  -22   12   10 o   42.450   0.2539   42.290   0.3835   42.600   0.3328 -0.3106000 0.5078000 
1 1 1  -22   12   11 o   6.3500   0.4321   6.1320   0.6321   6.5680   0.5893 -0.4364000 0.8642000 
1 1 1  -22   12   12 o   14.600   0.2952   14.760   0.3971   14.430   0.4368 0.3218000 0.5903000 
1 1 1  -22   12   13 o   22.810   0.3707   22.810   0.3707  ?   ?       ?      ? 
1 1 1  -22   12   14 o   29.040   0.2249   29.250   0.3198   28.830   0.3164 0.4162000 0.4499000 
1 1 1  -22   12   15 o   37.750   0.2563   37.980   0.3649   37.520   0.3602 0.4662000 0.5127000 
1 1 1  -22   12   16 o   10.270   0.3081   10.210   0.4507   10.340   0.4202 -0.1306000 0.6162000 
1 1 1  -22   12   17 o   11.370   0.3130   11.300   0.4931   11.440   0.3858 -0.1478000 0.6260000 
1 1 1  -22   12   18 o   21.290   0.2189   21.420   0.3162   21.150   0.3027 0.2783000 0.4377000 
1 1 1  -22   12   19 o   3.2690   0.8376   3.4430   1.2280   3.0940   1.1390 0.3494000 1.675000 
1 1 1  -22   12   20 o   8.3840   0.4416   8.6290   0.6400   8.1390   0.6088 0.4892000 0.8833000 
1 1 1  -22   12   21 o   27.260   0.2262   26.950   0.3202   27.570   0.3195 -0.6204000 0.4523000 
1 1 1  -22   12   22 o   16.090   0.2375   16.140   0.3391   16.030   0.3326 0.1160000 0.4750000 
1 1 1  -22   12   23 o   7.8400   0.6769   8.1520   0.5462   7.5270   1.2390 0.6250000 1.354000 
1 1 1  -22   12   24 o   5.0000   0.8363   4.6840   0.9675   5.3170   1.3640 -0.6327000 1.673000 
1 1 1  -22   12   25 o   2.5530   0.7480   2.2440   0.9890   2.8610   1.1230 -0.6174000 1.496000 
1 1 1  -22   12   26 o   4.9720   0.6391   4.3780   1.0170   5.5650   0.7744 -1.187000 1.278000 
1 1 1  -22   12   27 o   7.4570   0.4303   7.7920   0.5926   7.1220   0.6240 0.6698000 0.8605000 
1 1 1  -22   12   28 o   3.0480   0.8077   3.6650   1.1180   2.4300   1.1660 1.235000 1.615000 
1 1 1  -22   12   29 o   6.1720   0.4928   6.1850   0.6631   6.1590   0.7291 0.2559000E-01 0.9855000 
1 1 1  -22   12   30 o   9.1990   0.3421   9.0180   0.4670   9.3790   0.5000 -0.3611000 0.6842000 
1 1 1  -22   12   31 o   2.6100   0.7557   2.7180   1.0950   2.5030   1.0410 0.2155000 1.511000 
1 1 1  -22   14    1 f   33.990   0.3395   34.250   0.5910   33.730   0.3342 0.5223000 0.6790000 
1 1 1  -22   14    2 o   35.240   0.2729   35.100   0.4260   35.380   0.3411 -0.2810000 0.5457000 
1 1 1  -22   14    3 o   23.470   0.2067   23.900   0.2940   23.040   0.2907 0.8664000 0.4134000 
1 1 1  -22   14    4 o   41.600   0.2680   41.730   0.3796   41.470   0.3783 0.2626000 0.5360000 
1 1 1  -22   14    5 o   27.350   0.2128   27.370   0.2998   27.320   0.3021 0.4682000E-01 0.4256000 
1 1 1  -22   14    6 o   36.970   0.2482   36.840   0.3495   37.110   0.3526 -0.2732000 0.4965000 
1 1 1  -22   14    7 o   32.410   0.2595   32.520   0.4019   32.300   0.3285 0.2229000 0.5191000 
1 1 1  -22   14    8 f   18.410   0.2418   18.390   0.3730   18.430   0.3078 -0.3930000E-01 0.4836000 
1 1 1  -22   14    9 o   7.1020   0.4747   7.6830   0.6771   6.5220   0.6657 1.161000 0.9495000 
1 1 1  -22   14   10 o   9.7280   0.3030   9.8370   0.4560   9.6200   0.3993 0.2170000 0.6061000 
1 1 1  -22   14   11 o   16.730   0.2178   16.350   0.3322   17.120   0.2817 -0.7646000 0.4355000 
1 1 1  -22   14   12 o   23.580   0.2166   23.590   0.3081   23.560   0.3045 0.3194000E-01 0.4332000 
1 1 1  -22   14   13 o   20.190   0.2211   20.020   0.3131   20.360   0.3124 -0.3449000 0.4423000 
1 1 1  -22   14   14 o   28.740   0.2288   28.600   0.3229   28.880   0.3244 -0.2800000 0.4577000 
1 1 1  -22   14   15 o   10.890   0.3348   11.200   0.5054   10.570   0.4391 0.6257000 0.6695000 
1 1 1  -22   14   16 o   30.740   0.2624   30.090   0.3341   31.380   0.4046 -1.292000 0.5247000 
1 1 1  -22   14   17 o   14.720   0.3088   14.510   0.4574   14.920   0.4151 -0.4030000 0.6177000 
1 1 1  -22   14   18 f   14.180   0.2609   13.780   0.3758   14.580   0.3619 -0.8000000 0.5217000 
1 1 1  -22   14   19 o   10.390   0.3118   10.360   0.4492   10.430   0.4325 -0.6827000E-01 0.6236000 
1 1 1  -22   14   20 o   8.8230   0.3552   9.0870   0.4975   8.5590   0.5073 0.5276000 0.7105000 
1 1 1  -22   14   21 o   20.780   0.2535   20.700   0.3207   20.860   0.3927 -0.1664000 0.5070000 
1 1 1  -22   14   22 o   2.2100   0.6841   2.1000   0.9412   2.3190   0.9929 -0.2191000 1.368000 
1 1 1  -22   14   23 o   10.440   0.3165   10.870   0.4392   10.010   0.4558 0.8649000 0.6330000 
1 1 1  -22   14   24 o   14.140   0.2644   14.670   0.3699   13.620   0.3778 1.050000 0.5288000 
1 1 1  -22   14   25 o   6.0150   0.7392   5.1640   0.8718   6.8660   1.1940 -1.703000 1.478000 
1 1 1  -22   14   26 o   4.0030   1.0660   4.0030   1.0660  ?   ?       ?      ? 
1 1 1  -22   14   27 o   5.0020   0.9361   5.6870   1.0620   4.3180   1.5420 1.369000 1.872000 
1 1 1  -22   14   28 o   5.7580   0.5717   5.7560   0.8414   5.7600   0.7742 -0.3512000E-02 1.143000 
1 1 1  -22   14   29 o   14.360   0.2794   14.460   0.4040   14.250   0.3860 0.2071000 0.5587000 
1 1 1  -22   14   30 o   11.390   0.3680   11.150   0.5877   11.620   0.4431 -0.4655000 0.7360000 
1 1 1  -22   16    1 f   25.850   0.1938   25.870   0.2755   25.820   0.2725 0.5626000E-01 0.3875000 
1 1 1  -22   16    2 o   33.960   0.2119   33.950   0.3005   33.970   0.2989 -0.2586000E-01 0.4238000 
1 1 1  -22   16    3 o   13.790   0.2275   13.670   0.3260   13.920   0.3173 -0.2476000 0.4549000 
1 1 1  -22   16    4 o   32.790   0.2085   32.360   0.2930   33.220   0.2967 -0.8625000 0.4170000 
1 1 1  -22   16    5 o   23.890   0.1908   23.760   0.2704   24.010   0.2693 -0.2446000 0.3816000 
1 1 1  -22   16    6 o   7.5780   0.3604   7.2000   0.5285   7.9560   0.4901 -0.7561000 0.7208000 
1 1 1  -22   16    7 f   12.350   0.2665   12.290   0.4103   12.410   0.3402 -0.1206000 0.5330000 
1 1 1  -22   16    8 o   15.830   0.2283   16.040   0.3451   15.620   0.2991 0.4231000 0.4566000 
1 1 1  -22   16    9 o   15.660   0.2339   15.630   0.3595   15.700   0.2993 -0.6623000E-01 0.4678000 
1 1 1  -22   16   10 o   26.190   0.2127   25.900   0.3224   26.480   0.2775 -0.5769000 0.4254000 
1 1 1  -22   16   11 o   20.330   0.2516   20.210   0.3895   20.450   0.3186 -0.2418000 0.5032000 
1 1 1  -22   16   12 o   38.160   0.2959   38.300   0.4601   38.020   0.3723 0.2824000 0.5918000 
1 1 1  -22   16   13 o   13.620   0.3765   13.760   0.6588   13.480   0.3649 0.2795000 0.7531000 
1 1 1  -22   16   14 o   10.110   0.4066   10.060   0.5885   10.160   0.5610 -0.1013000 0.8131000 
1 1 1  -22   16   15 o   4.1410   0.6976   5.3290   0.8465   2.9530   1.1090 2.376000 1.395000 
1 1 1  -22   16   16 o   14.850   0.2572   14.350   0.3710   15.350   0.3564 -0.9958000 0.5144000 
1 1 1  -22   16   17 o   7.6320   0.4170   7.8400   0.5746   7.4250   0.6045 0.4154000 0.8340000 
1 1 1  -22   16   18 o   12.950   0.2790   12.460   0.4045   13.430   0.3845 -0.9671000 0.5581000 
1 1 1  -22   16   19 o   15.990   0.2766   16.480   0.3453   15.500   0.4323 0.9787000 0.5533000 
1 1 1  -22   16   20 o   20.330   0.2617   20.310   0.3304   20.350   0.4059 -0.3831000E-01 0.5234000 
1 1 1  -22   16   21 f   12.480   0.2821   12.400   0.4042   12.570   0.3935 -0.1697000 0.5641000 
1 1 1  -22   16   22 o   15.720   0.2526   15.750   0.3585   15.690   0.3560 0.6697000E-01 0.5052000 
1 1 1  -22   16   23 o   4.8530   0.6669   5.8390   0.7834   3.8680   1.0790 1.971000 1.334000 
1 1 1  -22   16   24 o   15.020   0.2945   15.550   0.3767   14.490   0.4528 1.060000 0.5890000 
1 1 1  -22   16   25 o   2.4450   0.8098   2.1390   1.0050   2.7510   1.2700 -0.6116000 1.620000 
1 1 1  -22   16   26 o   13.140   0.4199   13.220   0.4196   13.060   0.7274 0.1603000 0.8397000 
1 1 1  -22   16   27 o   3.0060   0.7541   3.9200   1.1020   2.0910   1.0290 1.828000 1.508000 
1 1 1  -22   16   28 o   6.0650   0.5805   7.2800   0.6580   4.8500   0.9565 2.430000 1.161000 
1 1 1  -22   16   29 o   7.8070   0.5121   7.8320   0.8063   7.7820   0.6315 0.4914000E-01 1.024000 
1 1 1  -22   18    1 o   8.1120   0.3593   7.7000   0.5212   8.5230   0.4947 -0.8228000 0.7186000 
1 1 1  -22   18    2 o   9.3460   0.3360   9.1040   0.5126   9.5880   0.4347 -0.4843000 0.6721000 
1 1 1  -22   18    3 o   11.220   0.3163   11.320   0.4394   11.130   0.4550 0.1901000 0.6325000 
1 1 1  -22   18    4 o   13.190   0.2817   13.480   0.3867   12.900   0.4097 0.5763000 0.5634000 
1 1 1  -22   18    5 o   14.070   0.2697   14.160   0.3662   13.980   0.3960 0.1871000 0.5393000 
1 1 1  -22   18    6 o   24.100   0.2312   23.970   0.3247   24.230   0.3292 -0.2670000 0.4624000 
1 1 1  -22   18    7 o   8.4480   0.4419   8.4710   0.6977   8.4250   0.5425 0.4606000E-01 0.8838000 
1 1 1  -22   18    8 o   9.2540   0.4053   9.5280   0.6295   8.9800   0.5107 0.5484000 0.8106000 
1 1 1  -22   18    9 o   9.4780   0.4086   9.6360   0.6562   9.3210   0.4869 0.3155000 0.8171000 
1 1 1  -22   18   10 o   4.6190   0.7728   4.3820   1.2550   4.8570   0.9029 -0.4750000 1.546000 
1 1 1  -22   18   11 o   9.8750   0.3230   9.6590   0.5009   10.090   0.4081 -0.4308000 0.6461000 
1 1 1  -22   18   12 o   19.040   0.2170   18.790   0.3302   19.280   0.2815 -0.4969000 0.4339000 
1 1 1  -22   18   13 o   18.870   0.2191   19.070   0.3304   18.680   0.2879 0.3857000 0.4382000 
1 1 1  -22   18   14 o   18.000   0.2537   18.440   0.4125   17.560   0.2956 0.8806000 0.5074000 
1 1 1  -22   18   15 o   18.910   0.2222   18.570   0.3376   19.250   0.2889 -0.6775000 0.4443000 
1 1 1  -22   18   16 o   5.1450   0.6397   5.5070   0.8187   4.7820   0.9831 0.7244000 1.279000 
1 1 1  -22   18   17 f   5.0840   0.6829   5.1110   0.8937   5.0580   1.0330 0.5360000E-01 1.366000 
1 1 1  -22   18   18 o   8.9580   0.3718   9.5350   0.4948   8.3820   0.5551 1.153000 0.7436000 
1 1 1  -22   18   19 o   10.360   0.3301   10.150   0.4753   10.570   0.4582 -0.4117000 0.6602000 
1 1 1  -22   18   20 o   9.5250   0.3594   9.9830   0.4891   9.0670   0.5268 0.9159000 0.7188000 
1 1 1  -22   18   21 o   7.4750   0.4441   7.4690   0.6148   7.4810   0.6412 -0.1258000E-01 0.8883000 
1 1 1  -22   18   22 o   11.780   0.3458   11.990   0.4275   11.580   0.5436 0.4169000 0.6915000 
1 1 1  -22   18   23 o   3.5580   0.8490   4.5860   1.1930   2.5290   1.2080 2.057000 1.698000 
1 1 1  -22   18   24 o   5.2850   0.6417   5.8770   0.8115   4.6920   0.9942 1.184000 1.283000 
1 1 1  -22   18   25 f   4.8530   0.6828   5.7970   0.8212   3.9090   1.0910 1.888000 1.366000 
1 1 1  -22   18   26 o   3.1540   0.8058   2.9450   1.1350   3.3620   1.1440 -0.4163000 1.612000 
1 1 1  -22   18   27 o   3.6330   0.9461   3.9570   1.2640   3.3100   1.4080 0.6464000 1.892000 
1 1 1  -22   20    1 o   11.380   0.2788   10.900   0.4006   11.850   0.3879 -0.9490000 0.5576000 
1 1 1  -22   20    2 o   3.6560   0.7212   3.9030   0.9789   3.4080   1.0590 0.4956000 1.442000 
1 1 1  -22   20    3 o   2.4630   0.6999   2.8080   1.0360   2.1180   0.9410 0.6900000 1.400000 
1 1 1  -22   20    4 o   15.970   0.2226   16.200   0.3091   15.730   0.3205 0.4741000 0.4453000 
1 1 1  -22   20    5 o   12.680   0.2540   12.680   0.3557   12.680   0.3627 -0.2715000E-02 0.5080000 
1 1 1  -22   20    6 o   7.0540   0.3987   6.6430   0.5944   7.4650   0.5314 -0.8219000 0.7973000 
1 1 1  -22   20    7 o   11.410   0.2963   11.400   0.4505   11.410   0.3851 -0.1391000E-01 0.5926000 
1 1 1  -22   20    8 o   22.500   0.2198   22.650   0.3317   22.350   0.2884 0.2997000 0.4396000 
1 1 1  -22   20    9 o   9.9710   0.3196   10.160   0.4773   9.7860   0.4253 0.3711000 0.6393000 
1 1 1  -22   20   10 o   17.130   0.2341   17.070   0.3603   17.190   0.2992 -0.1136000 0.4683000 
1 1 1  -22   20   11 o   2.5440   0.7127   2.1980   0.9888   2.8910   1.0260 -0.6931000 1.425000 
1 1 1  -22   20   12 o   11.010   0.3157   10.770   0.4555   11.250   0.4372 -0.4794000 0.6314000 
1 1 1  -22   20   13 o   5.0310   0.6346   4.8710   0.9388   5.1900   0.8542 -0.3186000 1.269000 
1 1 1  -22   20   14 o   2.4410   0.7189   2.6630   1.0550   2.2190   0.9764 0.4432000 1.438000 
1 1 1  -22   20   15 o   8.9400   0.3507   9.0800   0.5187   8.8000   0.4721 0.2798000 0.7014000 
1 1 1  -22   20   16 f   10.320   0.3110   10.500   0.4656   10.130   0.4125 0.3701000 0.6221000 
1 1 1  -22   20   17 o   8.2730   0.3796   8.1370   0.5789   8.4080   0.4912 -0.2707000 0.7592000 
1 1 1  -22   20   18 o   8.7650   0.3888   8.6320   0.5441   8.8980   0.5556 -0.2664000 0.7777000 
1 1 1  -22   20   19 o   11.350   0.3148   11.730   0.4237   10.970   0.4657 0.7584000 0.6295000 
1 1 1  -22   20   20 f   5.6910   0.8752   4.8560   1.1410   6.5270   1.3280 -1.670000 1.750000 
1 1 1  -22   20   21 o   9.6560   0.5706   9.3860   0.6462   9.9260   0.9406 -0.5404000 1.141000 
1 1 1  -22   20   22 o   6.8990   0.4841   7.1420   0.6698   6.6560   0.6991 0.4860000 0.9681000 
1 1 1  -22   20   23 o   5.9700   0.5787   6.0620   0.8065   5.8780   0.8303 0.1844000 1.157000 
1 1 1  -22   20   24 o   3.0310   0.7970   2.9730   1.1180   3.0900   1.1360 -0.1163000 1.594000 
1 1 1  -22   20   25 o   2.2760   0.7310   2.7680   1.1810   1.7830   0.8619 0.9846000 1.462000 
1 1 1  -22   20   26 o   3.3340   1.4620   3.3340   1.4620  ?   ?       ?      ? 
1 1 1  -22   22    1 o   8.4490   0.4081   8.1380   0.6010   8.7600   0.5521 -0.6219000 0.8161000 
1 1 1  -22   22    2 o   6.7800   0.5018   6.1720   0.7559   7.3870   0.6601 -1.215000 1.004000 
1 1 1  -22   22    3 f   9.5110   0.3707   9.5080   0.5256   9.5150   0.5230 -0.7195000E-02 0.7415000 
1 1 1  -22   22    4 o   12.080   0.3140   11.940   0.4482   12.230   0.4399 -0.2936000 0.6280000 
1 1 1  -22   22    5 o   3.5940   0.8010   3.5670   1.1510   3.6210   1.1140 -0.5396000E-01 1.602000 
1 1 1  -22   22    6 o   7.7240   0.4297   7.6420   0.6139   7.8050   0.6014 -0.1631000 0.8595000 
1 1 1  -22   22    7 o   4.4590   0.7193   4.0820   1.0730   4.8360   0.9577 -0.7538000 1.439000 
1 1 1  -22   22    8 o   5.6320   0.5902   5.3960   0.8711   5.8690   0.7966 -0.4728000 1.180000 
1 1 1  -22   22    9 o   10.810   0.3092   10.730   0.4679   10.890   0.4043 -0.1647000 0.6183000 
1 1 1  -22   22   10 o   8.3920   0.3831   8.1860   0.6012   8.5990   0.4750 -0.4136000 0.7662000 
1 1 1  -22   22   11 o   6.2810   0.4980   6.6990   0.7177   5.8620   0.6907 0.8373000 0.9961000 
1 1 1  -22   22   12 o   11.610   0.2931   11.780   0.4401   11.440   0.3872 0.3390000 0.5862000 
1 1 1  -22   22   13 o   5.3500   0.5787   5.2510   0.9007   5.4490   0.7268 -0.1977000 1.157000 
1 1 1  -22   22   14 o   4.3730   0.6832   3.7130   1.1120   5.0330   0.7939 -1.321000 1.366000 
1 1 1  -22   22   15 o   5.2640   0.5953   4.6420   0.9794   5.8860   0.6770 -1.243000 1.191000 
1 1 1  -22   22   16 o   5.3710   0.5725   5.0180   0.8948   5.7250   0.7145 -0.7066000 1.145000 
1 1 1  -22   22   17 o   8.5790   0.4911   8.8480   0.6530   8.3100   0.7337 0.5379000 0.9822000 
1 1 1  -22   22   18 o   6.1340   0.8408   5.9740   0.9214   6.2940   1.4070 -0.3197000 1.682000 
1 1 1  -22   22   19 o   9.7270   0.3707   8.7860   0.5531   10.670   0.4937 -1.882000 0.7414000 
1 1 1  -22   22   20 o   2.3730   0.6961   1.6760   0.8152   3.0700   1.1290 -1.393000 1.392000 
1 1 1  -22   22   21 f   2.0760   0.6707   2.2660   0.9989   1.8870   0.8952 0.3791000 1.341000 
1 1 1  -22   22   22 o   2.9170   0.7712   3.4340   1.1420   2.4000   1.0370 1.035000 1.542000 
1 1 1  -22   22   23 o   7.9440   0.5102   8.7430   0.7350   7.1460   0.7076 1.597000 1.020000 
1 1 1  -22   24    1 o   3.5910   0.7251   3.8910   0.9931   3.2910   1.0570 0.5997000 1.450000 
1 1 1  -22   24    2 o   4.7490   0.6148   4.3050   0.9302   5.1920   0.8041 -0.8872000 1.230000 
1 1 1  -22   24    3 o   8.7050   0.3403   9.0150   0.4614   8.3950   0.5003 0.6197000 0.6806000 
1 1 1  -22   24    4 o   3.6470   0.7061   3.0150   1.0440   4.2790   0.9510 -1.264000 1.412000 
1 1 1  -22   24    5 o   4.9860   0.5835   4.2750   0.9211   5.6960   0.7164 -1.421000 1.167000 
1 1 1  -22   24    6 o   2.2320   0.6755   2.0650   0.9167   2.4000   0.9924 -0.3351000 1.351000 
1 1 1  -22   24    7 o   5.3900   0.5869   5.1800   0.9197   5.6000   0.7292 -0.4203000 1.174000 
1 1 1  -22   24    8 o   2.5310   0.7254   2.3050   1.0140   2.7570   1.0380 -0.4524000 1.451000 
1 1 1  -22   24    9 f   10.150   0.3241   10.430   0.4804   9.8670   0.4351 0.5593000 0.6482000 
1 1 1  -22   24   10 o   5.5500   0.5917   4.8630   0.9992   6.2370   0.6342 -1.374000 1.183000 
1 1 1  -22   24   11 o   4.0820   0.7425   5.2220   1.0530   2.9420   1.0470 2.281000 1.485000 
1 1 1  -22   24   12 o   4.4730   0.7416   3.3700   1.2240   5.5750   0.8379 -2.206000 1.483000 
1 1 1  -22   24   13 o   3.4580   0.8295   3.8770   1.2160   3.0390   1.1280 0.8376000 1.659000 
1 1 1  -22   24   14 o   6.6580   0.4728   6.6760   0.7002   6.6410   0.6356 0.3461000E-01 0.9457000 
1 1 1  -22   24   15 o   4.8010   0.7319   6.1650   0.7581   3.4380   1.2520 2.727000 1.464000 
1 1 1  -22   24   16 o   4.9140   0.7587   5.5780   0.8685   4.2490   1.2440 1.329000 1.517000 
1 1 1  -22   24   17 o   5.3690   0.6387   4.8790   0.9657   5.8590   0.8363 -0.9803000 1.277000 
1 1 1  -22   24   18 o   2.5760   0.7385   2.3990   1.0380   2.7530   1.0500 -0.3546000 1.477000 
1 1 1  -22   24   19 o   2.6150   0.7465   2.4660   1.0410   2.7640   1.0700 -0.2979000 1.493000 
1 1 1  -22   24   20 f   4.1130   0.8369   3.5300   1.2750   4.6950   1.0850 -1.165000 1.674000 
1 1 1  -22   24   21 o   2.1630   0.7344   1.8910   0.9550   2.4350   1.1160 -0.5444000 1.469000 
1 1 1  -22   26    1 f   2.8150   0.7323   3.2690   1.0800   2.3610   0.9888 0.9084000 1.465000 
1 1 1  -22   26    2 o   3.3860   0.7343   2.8610   1.0640   3.9110   1.0120 -1.050000 1.469000 
1 1 1  -22   26    3 o   3.0010   0.7610   3.4060   1.0820   2.5970   1.0700 0.8084000 1.522000 
1 1 1  -22   26    4 o   6.5950   0.4578   6.9330   0.6299   6.2560   0.6644 0.6777000 0.9156000 
1 1 1  -22   26    5 o   2.2200   0.6745   1.9400   0.8928   2.5000   1.0110 -0.5602000 1.349000 
1 1 1  -22   26    6 o   3.0510   0.7264   2.4840   1.0140   3.6180   1.0400 -1.135000 1.453000 
1 1 1  -22   26    7 o   2.8820   0.7711   3.1010   1.1420   2.6640   1.0360 0.4363000 1.542000 
1 1 1  -22   26    8 o   1.9630   0.6428   1.9510   0.9181   1.9750   0.9000 -0.2422000E-01 1.286000 
1 1 1  -22   26    9 o   2.7700   0.7562   2.6400   1.0830   2.9010   1.0560 -0.2608000 1.512000 
1 1 1  -22   26   10 o   3.7950   0.7080   2.7680   1.1180   4.8230   0.8685 -2.055000 1.416000 
1 1 1  -22   26   11 o   4.7040   0.6975   4.0730   1.1530   5.3350   0.7848 -1.263000 1.395000 
1 1 1  -22   26   12 o   2.1470   0.6907   2.1570   0.9842   2.1370   0.9693 0.1976000E-01 1.381000 
1 1 1  -22   26   13 o   2.6500   0.7472   3.2780   1.1430   2.0220   0.9630 1.255000 1.494000 
1 1 1  -22   26   14 o   8.9600   0.4546   8.5140   0.6047   9.4050   0.6790 -0.8911000 0.9092000 
1 1 1  -22   26   15 o   3.5490   0.7539   4.4190   1.0740   2.6790   1.0590 1.739000 1.508000 
1 1 1  -22   26   16 o   5.2560   0.7698   4.6210   1.2680   5.8900   0.8740 -1.269000 1.540000 
1 1 1  -22   26   17 o   4.8990   0.8722   3.3480   1.4420   6.4510   0.9816 -3.103000 1.744000 
1 1 1  -22   26   18 o   6.0300   0.8174   4.4310   1.3680   7.6300   0.8955 -3.198000 1.635000 
1 1 1  -22   28    1 o   4.9040   0.7606   5.1940   1.0380   4.6140   1.1120 0.5802000 1.521000 
1 1 1  -22   28    2 o   5.5240   0.6316   5.4030   0.8347   5.6450   0.9482 -0.2412000 1.263000 
1 1 1  -22   28    3 o   3.5520   0.7662   3.7030   1.0730   3.4000   1.0950 0.3033000 1.532000 
1 1 1  -22   28    4 o   6.2720   0.5087   5.8600   0.7786   6.6840   0.6549 -0.8234000 1.017000 
1 1 1  -22   28    5 o   2.8610   0.7483   2.4850   1.0320   3.2380   1.0830 -0.7524000 1.497000 
1 1 1  -22   28    6 f   9.9810   0.3361   10.200   0.4668   9.7620   0.4838 0.4383000 0.6723000 
1 1 1  -22   28    7 o   3.2520   0.8368   3.0000   1.1660   3.5050   1.2010 -0.5052000 1.674000 
1 1 1  -22   28    8 o   2.7230   0.7959   2.2880   1.0680   3.1590   1.1800 -0.8709000 1.592000 
1 1 1  -22   28    9 o   6.6380   0.6565   7.6980   0.8652   5.5770   0.9876 2.121000 1.313000 
1 1 1  -22   28   10 f   2.9470   0.9291   2.9670   1.3950   2.9260   1.2280 0.4166000E-01 1.858000 
1 1 1  -22   28   11 o   3.9980   1.1050   3.6470   1.5680   4.3480   1.5560 -0.7013000 2.209000 
1 1 1  -22   28   12 o   2.7970   0.8468   2.1840   1.0840   3.4090   1.3020 -1.225000 1.694000 
1 1 1  -22   28   13 o   2.1890   0.7001   1.8050   0.8933   2.5730   1.0780 -0.7679000 1.400000 
1 1 1  -22   30    2 o   2.5120   1.2230  ?   ?    2.5120   1.2230      ?      ? 
1 1 1  -21    1    1 o   12.290   0.1580   11.850   0.2452   12.720   0.1994 -0.8711000 0.3161000 
1 1 1  -21    1    2 o   26.620   0.1705   26.610   0.2781   26.620   0.1973 -0.4179000E-02 0.3410000 
1 1 1  -21    1    3 o   48.300   0.4207   47.900   0.6836   48.700   0.4906 -0.8018000 0.8414000 
1 1 1  -21    1    4 o   23.040   0.1766   23.040   0.2487   23.050   0.2507 -0.8312000E-02 0.3531000 
1 1 1  -21    1    5 o   18.010   0.1102   18.210   0.1688   17.820   0.1418 0.3865000 0.2205000 
1 1 1  -21    1    6 f   26.140   0.1491   26.580   0.2274   25.700   0.1929 0.8828000 0.2982000 
1 1 1  -21    1    7 o   36.290   0.2145   36.470   0.3048   36.100   0.3018 0.3728000 0.4290000 
1 1 1  -21    1    8 o   28.310   0.1747   28.050   0.2453   28.560   0.2490 -0.5096000 0.3495000 
1 1 1  -21    1    9 o   42.260   0.2163   42.180   0.3054   42.340   0.3065 -0.1636000 0.4327000 
1 1 1  -21    1   10 o   31.100   0.1670   31.140   0.2365   31.070   0.2359 0.6421000E-01 0.3341000 
1 1 1  -21    1   11 o   16.210   0.1337   16.030   0.1766   16.380   0.2008 -0.3480000 0.2675000 
1 1 1  -21    1   12 o   20.260   0.1750   20.780   0.2745   19.740   0.2170 1.040000 0.3499000 
1 1 1  -21    1   13 o   62.090   0.3640   62.410   0.5174   61.770   0.5123 0.6439000 0.7281000 
1 1 1  -21    1   14 o   49.670   0.2571   49.900   0.3650   49.440   0.3620 0.4614000 0.5141000 
1 1 1  -21    1   15 o   26.110   0.1631   25.940   0.2305   26.290   0.2308 -0.3547000 0.3262000 
1 1 1  -21    1   16 o   25.560   0.2341  ?   ?    25.560   0.2341      ?      ? 
1 1 1  -21    1   17 o   20.290   0.2275   20.490   0.3200   20.080   0.3234 0.4129000 0.4549000 
1 1 1  -21    1   18 o   28.090   0.2168   28.270   0.2546   27.910   0.3510 0.3687000 0.4336000 
1 1 1  -21    1   19 o   44.970   0.2966   45.140   0.3449   44.790   0.4827 0.3526000 0.5933000 
1 1 1  -21    1   20 o   42.240   0.2685   42.240   0.3795   42.230   0.3801 0.7832000E-02 0.5371000 
1 1 1  -21    1   21 o   17.270   0.2508   17.380   0.3503   17.150   0.3591 0.2243000 0.5016000 
1 1 1  -21    1   22 o   24.190   0.1795   24.320   0.2541   24.060   0.2536 0.2635000 0.3590000 
1 1 1  -21    1   23 o   15.370   0.1913   15.710   0.2680   15.020   0.2730 0.6936000 0.3825000 
1 1 1  -21    1   24 o   19.850   0.1833   19.740   0.2600   19.960   0.2585 -0.2222000 0.3666000 
1 1 1  -21    1   25 o   1.9980   0.6765   1.8930   0.8994   2.1030   1.0110 -0.2103000 1.353000 
1 1 1  -21    1   26 o   10.630   0.2694   10.470   0.3617   10.780   0.3994 -0.3120000 0.5388000 
1 1 1  -21    1   27 o   16.930   0.2078   16.970   0.2735   16.880   0.3131 0.9310000E-01 0.4157000 
1 1 1  -21    1   28 o   7.1010   0.3724   6.5340   0.5343   7.6680   0.5188 -1.134000 0.7447000 
1 1 1  -21    1   29 o   9.0800   0.3147   8.8900   0.4246   9.2690   0.4646 -0.3791000 0.6294000 
1 1 1  -21    1   30 o   5.0950   0.5368   5.1200   0.7137   5.0700   0.8021 0.4925000E-01 1.074000 
1 1 1  -21    1   31 o   3.7600   0.6979   3.3600   0.9834   4.1590   0.9905 -0.7992000 1.396000 
1 1 1  -21    1   32 o   3.8520   0.7968   3.1350   1.0950   4.5690   1.1580 -1.433000 1.594000 
1 1 1  -21    1   33 o   3.9860   0.7495   3.6510   1.1160   4.3210   1.0000 -0.6704000 1.499000 
1 1 1  -21    1   34 o   4.9710   0.6356   5.6340   0.7168   4.3090   1.0500 1.325000 1.271000 
1 1 1  -21    3    1 o   22.430   0.1565   22.640   0.2563   22.220   0.1797 0.4198000 0.3130000 
1 1 1  -21    3    2 o   38.170   0.2259   37.860   0.3155   38.490   0.3233 -0.6235000 0.4518000 
1 1 1  -21    3    3 o   23.530   0.1707   23.120   0.2682   23.930   0.2112 -0.8042000 0.3414000 
1 1 1  -21    3    4 o   7.6320   0.1627   7.9980   0.2833   7.2660   0.1603 0.7318000 0.3255000 
1 1 1  -21    3    5 f   39.140   0.2323   38.960   0.3272   39.320   0.3300 -0.3580000 0.4647000 
1 1 1  -21    3    6 f   16.150   0.1578   16.390   0.2302   15.920   0.2158 0.4782000 0.3155000 
1 1 1  -21    3    7 o   33.800   0.1919   33.660   0.2500   33.940   0.2912 -0.2762000 0.3838000 
1 1 1  -21    3    8 o   17.560   0.1366   17.670   0.1927   17.440   0.1937 0.2329000 0.2732000 
1 1 1  -21    3    9 o   27.670   0.1661   27.620   0.2166   27.720   0.2517 -0.1020000 0.3321000 
1 1 1  -21    3   10 o   20.350   0.1423   20.480   0.1876   20.210   0.2140 0.2688000 0.2846000 
1 1 1  -21    3   11 o   27.040   0.1992   27.050   0.2532   27.020   0.3076 0.3449000E-01 0.3984000 
1 1 1  -21    3   12 o   60.700   0.3331   60.990   0.4379   60.410   0.5019 0.5753000 0.6661000 
1 1 1  -21    3   13 o   54.480   0.3616   54.550   0.4576   54.420   0.5599 0.1294000 0.7231000 
1 1 1  -21    3   14 o   24.540   0.3147  ?   ?    24.540   0.3147      ?      ? 
1 1 1  -21    3   15 o   23.480   0.2064   23.460   0.3203   23.510   0.2602 -0.4918000E-01 0.4127000 
1 1 1  -21    3   16 o   38.530   0.2731   38.780   0.3500   38.280   0.4194 0.4951000 0.5462000 
1 1 1  -21    3   17 o   29.400   0.1953   29.430   0.2565   29.380   0.2947 0.5027000E-01 0.3907000 
1 1 1  -21    3   18 o   41.040   0.2433   41.410   0.3217   40.670   0.3652 0.7417000 0.4867000 
1 1 1  -21    3   19 o   30.640   0.2957   30.850   0.2692   30.420   0.5266 0.4266000 0.5914000 
1 1 1  -21    3   20 o   18.800   0.2771   18.910   0.2872   18.690   0.4740 0.2212000 0.5542000 
1 1 1  -21    3   21 o   20.520   0.2240   20.480   0.2893   20.560   0.3422 -0.8310000E-01 0.4481000 
1 1 1  -21    3   22 o   12.370   0.2308   12.540   0.3050   12.210   0.3466 0.3281000 0.4617000 
1 1 1  -21    3   23 o   2.9120   0.6923   2.5300   0.9430   3.2940   1.0140 -0.7637000 1.385000 
1 1 1  -21    3   24 o   6.5200   0.3942   6.0500   0.5654   6.9890   0.5495 -0.9389000 0.7884000 
1 1 1  -21    3   25 o   18.140   0.3196   17.660   0.3861   18.620   0.5093 -0.9641000 0.6391000 
1 1 1  -21    3   26 o   15.150   0.2202   14.800   0.2907   15.510   0.3308 -0.7136000 0.4404000 
1 1 1  -21    3   27 o   18.650   0.2034   18.370   0.2695   18.940   0.3048 -0.5680000 0.4069000 
1 1 1  -21    3   28 o   14.350   0.2273   14.470   0.2988   14.220   0.3425 0.2512000 0.4546000 
1 1 1  -21    3   29 o   14.240   0.2333   14.060   0.3097   14.420   0.3490 -0.3580000 0.4666000 
1 1 1  -21    3   30 o   11.590   0.2669   11.640   0.3543   11.530   0.3994 0.1132000 0.5338000 
1 1 1  -21    3   31 o   5.8250   0.4806   5.7820   0.6535   5.8670   0.7049 -0.8536000E-01 0.9612000 
1 1 1  -21    3   32 o   6.6120   0.5543   7.1000   0.6123   6.1250   0.9241 0.9747000 1.109000 
1 1 1  -21    3   33 o   4.5930   0.6907   4.4070   1.0140   4.7800   0.9384 -0.3731000 1.381000 
1 1 1  -21    3   34 o   10.170   0.4097   10.820   0.6134   9.5250   0.5434 1.299000 0.8195000 
1 1 1  -21    5    1 o   7.5650   0.2184   7.1910   0.3365   7.9390   0.2784 -0.7479000 0.4368000 
1 1 1  -21    5    2 o   18.600   0.1477   19.270   0.2108   17.920   0.2069 1.343000 0.2953000 
1 1 1  -21    5    3 o   18.870   0.1698   19.170   0.2087   18.570   0.2680 0.5965000 0.3396000 
1 1 1  -21    5    4 o   22.140   0.1562   21.710   0.2179   22.570   0.2239 -0.8581000 0.3124000 
1 1 1  -21    5    5 o   28.750   0.2086   28.850   0.3254   28.660   0.2610 0.1953000 0.4172000 
1 1 1  -21    5    6 o   18.750   0.1711   18.790   0.2693   18.700   0.2111 0.9015000E-01 0.3422000 
1 1 1  -21    5    7 o   2.9060   0.4987   3.2670   0.6547   2.5450   0.7526 0.7226000 0.9975000 
1 1 1  -21    5    8 o   28.280   0.1858   28.290   0.2635   28.270   0.2621 0.2224000E-01 0.3716000 
1 1 1  -21    5    9 o   17.660   0.1873   17.780   0.2711   17.550   0.2586 0.2234000 0.3747000 
1 1 1  -21    5   11 o   11.020   0.1918   10.760   0.2795   11.290   0.2629 -0.5341000 0.3837000 
1 1 1  -21    5   12 o   25.480   0.3184  ?   ?    25.480   0.3184      ?      ? 
1 1 1  -21    5   13 o   33.690   0.2454   34.150   0.3838   33.230   0.3059 0.9209000 0.4908000 
1 1 1  -21    5   14 o   48.670   0.3307   49.200   0.5167   48.140   0.4128 1.057000 0.6614000 
1 1 1  -21    5   15 o   18.730   0.1713   18.920   0.2277   18.540   0.2561 0.3806000 0.3427000 
1 1 1  -21    5   16 o   38.820   0.2319   39.030   0.3049   38.610   0.3494 0.4139000 0.4638000 
1 1 1  -21    5   17 o   33.070   0.2111   32.860   0.2747   33.280   0.3207 -0.4218000 0.4223000 
1 1 1  -21    5   18 o   52.860   0.3004   53.070   0.3950   52.660   0.4527 0.4097000 0.6008000 
1 1 1  -21    5   19 o   41.810   0.2996   41.790   0.3777   41.830   0.4651 -0.4298000E-01 0.5991000 
1 1 1  -21    5   20 o   20.760   0.2209   20.620   0.2574   20.900   0.3591 -0.2783000 0.4418000 
1 1 1  -21    5   21 o   23.470   0.2848   24.000   0.2930   22.940   0.4883 1.058000 0.5695000 
1 1 1  -21    5   22 o   22.070   0.2793   22.080   0.2587   22.060   0.4950 0.1890000E-01 0.5585000 
1 1 1  -21    5   23 o   6.3040   0.4086   5.6350   0.6110   6.9730   0.5427 -1.338000 0.8172000 
1 1 1  -21    5   24 o   15.390   0.2785   15.420   0.4119   15.370   0.3750 0.4987000E-01 0.5571000 
1 1 1  -21    5   25 o   5.5160   0.5673   5.1740   0.7667   5.8580   0.8363 -0.6845000 1.135000 
1 1 1  -21    5   26 o   11.910   0.2491   11.940   0.3340   11.890   0.3696 0.4807000E-01 0.4981000 
1 1 1  -21    5   27 o   8.0390   0.3374   8.6160   0.4166   7.4620   0.5308 1.154000 0.6748000 
1 1 1  -21    5   28 o   7.2460   0.3738   7.2400   0.4973   7.2530   0.5582 -0.1280000E-01 0.7476000 
1 1 1  -21    5   29 o   8.8290   0.3268   8.5940   0.4419   9.0640   0.4816 -0.4709000 0.6536000 
1 1 1  -21    5   30 o   11.120   0.2817   11.090   0.3795   11.140   0.4165 -0.4852000E-01 0.5635000 
1 1 1  -21    5   31 o   6.6260   0.4403   6.5670   0.6034   6.6840   0.6414 -0.1167000 0.8807000 
1 1 1  -21    5   32 o   2.1030   0.6901   1.8920   0.8947   2.3140   1.0510 -0.4224000 1.380000 
1 1 1  -21    5   33 o   5.9420   0.5119   6.0950   0.6809   5.7880   0.7645 0.3066000 1.024000 
1 1 1  -21    7    1 o   21.690   0.1603   21.690   0.2274   21.680   0.2261 0.7351000E-02 0.3207000 
1 1 1  -21    7    2 o   23.630   0.1666   23.550   0.2366   23.700   0.2346 -0.1543000 0.3332000 
1 1 1  -21    7    3 o   28.320   0.1853   28.390   0.2632   28.240   0.2608 0.1470000 0.3705000 
1 1 1  -21    7    4 o   6.6800   0.2386   6.5420   0.3492   6.8170   0.3252 -0.2747000 0.4772000 
1 1 1  -21    7    5 o   29.920   0.2174   30.060   0.3392   29.790   0.2722 0.2635000 0.4349000 
1 1 1  -21    7    6 o   41.510   0.2825   41.920   0.4417   41.110   0.3523 0.8105000 0.5650000 
1 1 1  -21    7    7 o   7.7510   0.2276   8.3560   0.3375   7.1460   0.3055 1.210000 0.4552000 
1 1 1  -21    7    8 o   20.070   0.1710   20.310   0.2412   19.840   0.2425 0.4757000 0.3420000 
1 1 1  -21    7    9 o   26.300   0.2303   25.810   0.3248   26.790   0.3266 -0.9769000 0.4606000 
1 1 1  -21    7   10 o   38.600   0.2719   39.140   0.4252   38.060   0.3391 1.083000 0.5439000 
1 1 1  -21    7   11 f   18.340   0.2140   18.740   0.3026   17.940   0.3027 0.7939000 0.4280000 
1 1 1  -21    7   12 o   18.680   0.2033   18.860   0.3163   18.500   0.2556 0.3594000 0.4067000 
1 1 1  -21    7   13 o   40.280   0.2550   39.960   0.3603   40.610   0.3608 -0.6456000 0.5100000 
1 1 1  -21    7   14 o   9.4220   0.2788   9.7510   0.4013   9.0940   0.3871 0.6573000 0.5576000 
1 1 1  -21    7   15 o   13.680   0.2164   13.810   0.3076   13.540   0.3044 0.2757000 0.4327000 
1 1 1  -21    7   16 o   12.580   0.2642   12.050   0.4162   13.100   0.3255 -1.053000 0.5284000 
1 1 1  -21    7   17 o   20.980   0.2010   21.050   0.2878   20.920   0.2806 0.1225000 0.4020000 
1 1 1  -21    7   18 o   41.920   0.3301   41.880   0.4668   41.960   0.4670 -0.7435000E-01 0.6603000 
1 1 1  -21    7   19 o   30.640   0.2078   30.700   0.2734   30.570   0.3130 0.1274000 0.4156000 
1 1 1  -21    7   20 o   24.310   0.2079   24.460   0.2936   24.160   0.2944 0.3036000 0.4158000 
1 1 1  -21    7   21 o   18.230   0.1995   18.300   0.2634   18.150   0.2998 0.1545000 0.3990000 
1 1 1  -21    7   22 o   16.590   0.2984   16.790   0.2707   16.380   0.5319 0.4170000 0.5969000 
1 1 1  -21    7   23 o   5.9580   0.6832   6.6460   0.6262   5.2710   1.2140 1.374000 1.366000 
1 1 1  -21    7   24 o   22.860   0.2012   23.220   0.2624   22.490   0.3050 0.7322000 0.4024000 
1 1 1  -21    7   25 o   2.3310   0.7098   2.2960   0.9718   2.3650   1.0350 -0.6922000E-01 1.420000 
1 1 1  -21    7   26 o   2.0880   0.6372   1.7570   0.8174   2.4180   0.9778 -0.6605000 1.274000 
1 1 1  -21    7   27 o   5.8250   0.4681   6.0460   0.6160   5.6040   0.7049 0.4427000 0.9361000 
1 1 1  -21    7   28 f   2.8760   0.6681   2.0000   0.8866   3.7530   0.9996 -1.754000 1.336000 
1 1 1  -21    7   29 o   8.5110   0.3382   8.1980   0.4826   8.8240   0.4741 -0.6263000 0.6765000 
1 1 1  -21    7   30 o   9.9070   0.3096   9.7320   0.4252   10.080   0.4502 -0.3485000 0.6192000 
1 1 1  -21    7   31 o   4.4320   0.7587   5.0860   0.9004   3.7780   1.2220 1.308000 1.517000 
1 1 1  -21    7   32 o   3.4600   0.6796   2.2170   0.9944   4.7040   0.9266 -2.487000 1.359000 
1 1 1  -21    7   33 o   2.9710   0.7824   3.2690   1.0710   2.6730   1.1410 0.5963000 1.565000 
1 1 1  -21    9    1 o   17.840   0.1499   17.950   0.2127   17.720   0.2111 0.2332000 0.2997000 
1 1 1  -21    9    2 o   20.230   0.1481   20.270   0.2096   20.190   0.2093 0.7698000E-01 0.2962000 
1 1 1  -21    9    3 o   14.220   0.1533   14.140   0.2198   14.290   0.2138 -0.1559000 0.3066000 
1 1 1  -21    9    4 o   30.120   0.1755   30.230   0.2491   30.000   0.2473 0.2256000 0.3510000 
1 1 1  -21    9    5 o   31.160   0.1793   31.200   0.2538   31.130   0.2533 0.6695000E-01 0.3585000 
1 1 1  -21    9    6 o   27.050   0.1813   27.480   0.2779   26.630   0.2329 0.8496000 0.3626000 
1 1 1  -21    9    7 o   8.4100   0.2640   8.8400   0.3705   7.9800   0.3761 0.8594000 0.5279000 
1 1 1  -21    9    8 o   50.750   0.3444   51.280   0.5389   50.210   0.4290 1.071000 0.6888000 
1 1 1  -21    9    9 o   35.660   0.2854   35.740   0.4053   35.580   0.4019 0.1649000 0.5708000 
1 1 1  -21    9   10 o   45.960   0.3174   46.090   0.4932   45.840   0.3995 0.2429000 0.6347000 
1 1 1  -21    9   11 o   40.270   0.2564   40.180   0.3625   40.360   0.3626 -0.1875000 0.5127000 
1 1 1  -21    9   12 o   46.600   0.2882   46.790   0.4097   46.410   0.4054 0.3730000 0.5764000 
1 1 1  -21    9   13 o   43.560   0.2737   43.370   0.3866   43.760   0.3876 -0.3916000 0.5474000 
1 1 1  -21    9   14 o   6.0730   0.4418   6.7290   0.5556   5.4170   0.6871 1.312000 0.8836000 
1 1 1  -21    9   15 o   6.3840   0.4871   6.8650   0.5572   5.9020   0.7991 0.9630000 0.9742000 
1 1 1  -21    9   16 o   13.800   0.2955   13.870   0.4172   13.740   0.4187 0.1229000 0.5910000 
1 1 1  -21    9   17 o   31.700   0.2579   31.680   0.3284   31.710   0.3979 -0.2388000E-01 0.5159000 
1 1 1  -21    9   18 o   34.080   0.2664   34.560   0.4175   33.610   0.3310 0.9454000 0.5328000 
1 1 1  -21    9   19 o   18.350   0.2418   18.360   0.3791   18.330   0.3004 0.3361000E-01 0.4837000 
1 1 1  -21    9   20 o   16.940   0.2225   16.830   0.3240   17.060   0.3050 -0.2332000 0.4450000 
1 1 1  -21    9   21 o   12.670   0.2599   12.770   0.3788   12.560   0.3559 0.2041000 0.5198000 
1 1 1  -21    9   22 o   2.0890   0.6829   2.3000   1.0370   1.8790   0.8892 0.4210000 1.366000 
1 1 1  -21    9   23 o   4.5360   0.6955   5.2910   0.6660   3.7810   1.2210 1.510000 1.391000 
1 1 1  -21    9   24 o   5.3400   0.7753   5.3400   0.7753  ?   ?       ?      ? 
1 1 1  -21    9   25 o   17.490   0.2864   17.490   0.2864  ?   ?       ?      ? 
1 1 1  -21    9   26 o   10.120   0.2939   9.9240   0.3964   10.310   0.4340 -0.3878000 0.5878000 
1 1 1  -21    9   27 o   18.000   0.2160   17.770   0.2872   18.230   0.3227 -0.4622000 0.4320000 
1 1 1  -21    9   28 o   7.3680   0.3869   7.0000   0.5550   7.7370   0.5392 -0.7373000 0.7738000 
1 1 1  -21    9   29 o   4.2990   0.6551   4.0620   0.9422   4.5350   0.9105 -0.4736000 1.310000 
1 1 1  -21    9   30 o   4.8570   0.7248   4.3830   1.0160   5.3310   1.0340 -0.9484000 1.450000 
1 1 1  -21    9   31 o   4.7640   0.6192   4.7070   0.8427   4.8210   0.9074 -0.1145000 1.238000 
1 1 1  -21    9   32 o   7.6360   0.4918   7.5670   0.6291   7.7040   0.7560 -0.1367000 0.9835000 
1 1 1  -21   11    1 o   19.780   0.1623   20.160   0.2298   19.410   0.2294 0.7519000 0.3247000 
1 1 1  -21   11    2 o   18.820   0.1616   18.740   0.2285   18.910   0.2287 -0.1729000 0.3233000 
1 1 1  -21   11    3 o   27.220   0.1735   27.320   0.2458   27.110   0.2448 0.2152000 0.3469000 
1 1 1  -21   11    4 o   10.950   0.2235   10.740   0.3478   11.150   0.2809 -0.4142000 0.4471000 
1 1 1  -21   11    5 o   6.3500   0.3517   6.0290   0.5547   6.6720   0.4326 -0.6438000 0.7034000 
1 1 1  -21   11    6 o   32.660   0.2384   32.370   0.3909   32.940   0.2732 -0.5730000 0.4769000 
1 1 1  -21   11    7 o   25.860   0.2158   26.240   0.3560   25.470   0.2439 0.7758000 0.4315000 
1 1 1  -21   11    8 o   17.250   0.2200   16.670   0.3676   17.830   0.2418 -1.157000 0.4400000 
1 1 1  -21   11    9 o   41.010   0.2451   40.820   0.3701   41.210   0.3214 -0.3869000 0.4902000 
1 1 1  -21   11   10 o   32.260   0.2249   32.240   0.3192   32.290   0.3169 -0.5948000E-01 0.4498000 
1 1 1  -21   11   11 o   36.420   0.2429   36.340   0.3433   36.500   0.3436 -0.1553000 0.4857000 
1 1 1  -21   11   12 o   17.300   0.2115   17.100   0.3019   17.500   0.2963 -0.4031000 0.4231000 
1 1 1  -21   11   13 o   15.110   0.2305   15.380   0.3192   14.840   0.3326 0.5379000 0.4610000 
1 1 1  -21   11   14 o   24.190   0.2620   24.420   0.3669   23.970   0.3740 0.4456000 0.5239000 
1 1 1  -21   11   15 o   20.750   0.2146   20.590   0.3076   20.910   0.2994 -0.3182000 0.4292000 
1 1 1  -21   11   16 o   21.400   0.2397   20.970   0.3762   21.820   0.2971 -0.8488000 0.4793000 
1 1 1  -21   11   17 o   39.770   0.2648   39.880   0.3770   39.660   0.3718 0.2203000 0.5295000 
1 1 1  -21   11   18 o   27.040   0.2456   27.250   0.3826   26.820   0.3081 0.4333000 0.4912000 
1 1 1  -21   11   19 o   14.510   0.2443   14.610   0.3489   14.420   0.3421 0.1933000 0.4886000 
1 1 1  -21   11   20 f   18.030   0.2782   18.290   0.4115   17.780   0.3744 0.5066000 0.5563000 
1 1 1  -21   11   21 o   18.600   0.2295   18.630   0.3317   18.570   0.3172 0.5636000E-01 0.4589000 
1 1 1  -21   11   22 o   24.030   0.2235   24.050   0.3219   24.010   0.3102 0.4313000E-01 0.4470000 
1 1 1  -21   11   23 o   8.3850   0.4052   7.9380   0.5564   8.8310   0.5893 -0.8926000 0.8104000 
1 1 1  -21   11   24 o   3.6000   0.7625   3.6740   1.0920   3.5250   1.0650 0.1496000 1.525000 
1 1 1  -21   11   25 o   9.7000   0.4763   10.330   0.4408   9.0680   0.8445 1.264000 0.9526000 
1 1 1  -21   11   26 o   9.7920   0.4567   9.7190   0.4756   9.8650   0.7797 -0.1465000 0.9134000 
1 1 1  -21   11   27 o   9.3840   0.3293   9.8210   0.4170   8.9460   0.5097 0.8745000 0.6586000 
1 1 1  -21   11   28 o   8.6910   0.3458   8.7330   0.4672   8.6490   0.5100 0.8433000E-01 0.6917000 
1 1 1  -21   11   29 o   8.1350   0.4535   7.7510   0.5973   8.5200   0.6827 -0.7688000 0.9071000 
1 1 1  -21   11   30 o   4.9520   0.6695   4.5940   0.8752   5.3100   1.0130 -0.7162000 1.339000 
1 1 1  -21   11   31 o   2.6100   0.7765   2.6630   1.0750   2.5560   1.1210 0.1070000 1.553000 
1 1 1  -21   11   32 o   7.8270   0.8838   7.8270   0.8838  ?   ?       ?      ? 
1 1 1  -21   13    1 o   31.180   0.1941   31.480   0.2749   30.880   0.2741 0.6024000 0.3881000 
1 1 1  -21   13    2 o   34.990   0.2061   35.290   0.2929   34.700   0.2900 0.5830000 0.4122000 
1 1 1  -21   13    3 o   25.180   0.1936   24.490   0.2911   25.880   0.2552 -1.395000 0.3872000 
1 1 1  -21   13    4 o   31.200   0.2398   31.160   0.3938   31.240   0.2739 -0.7571000E-01 0.4797000 
1 1 1  -21   13    5 o   13.320   0.2538   13.560   0.4176   13.090   0.2885 0.4666000 0.5076000 
1 1 1  -21   13    6 o   33.770   0.2500   33.890   0.4108   33.650   0.2849 0.2381000 0.4999000 
1 1 1  -21   13    7 o   12.080   0.2577   12.160   0.3664   11.990   0.3625 0.1746000 0.5154000 
1 1 1  -21   13    8 o   38.020   0.2374   38.490   0.3632   37.560   0.3060 0.9319000 0.4749000 
1 1 1  -21   13    9 o   42.210   0.3044   42.340   0.4730   42.080   0.3832 0.2597000 0.6088000 
1 1 1  -21   13   10 o   35.830   0.2737   35.920   0.4242   35.740   0.3460 0.1763000 0.5474000 
1 1 1  -21   13   11 o   46.480   0.3289   46.370   0.5088   46.580   0.4168 -0.2072000 0.6577000 
1 1 1  -21   13   12 o   5.1640   0.5917   4.7650   0.9022   5.5640   0.7657 -0.7982000 1.183000 
1 1 1  -21   13   13 o   33.550   0.2702   34.260   0.3435   32.830   0.4173 1.422000 0.5405000 
1 1 1  -21   13   14 o   17.800   0.2270   17.700   0.3227   17.900   0.3193 -0.2033000 0.4539000 
1 1 1  -21   13   15 o   8.9810   0.3536   8.7610   0.5154   9.2010   0.4842 -0.4401000 0.7072000 
1 1 1  -21   13   16 f   20.220   0.2486   20.700   0.3816   19.750   0.3186 0.9540000 0.4971000 
1 1 1  -21   13   17 o   7.1510   0.4209   7.1180   0.6068   7.1840   0.5834 -0.6561000E-01 0.8417000 
1 1 1  -21   13   18 o   38.570   0.3236   38.760   0.4641   38.390   0.4512 0.3712000 0.6473000 
1 1 1  -21   13   19 o   27.590   0.2523   27.120   0.3263   28.060   0.3849 -0.9382000 0.5046000 
1 1 1  -21   13   20 o   7.6670   0.4004   7.6100   0.5835   7.7240   0.5484 -0.1139000 0.8007000 
1 1 1  -21   13   21 o   8.1170   0.3793   7.7290   0.5629   8.5060   0.5087 -0.7774000 0.7587000 
1 1 1  -21   13   22 o   11.550   0.3152   11.450   0.4139   11.640   0.4756 -0.1914000 0.6305000 
1 1 1  -21   13   23 o   12.240   0.2824   12.280   0.4021   12.200   0.3967 0.8763000E-01 0.5648000 
1 1 1  -21   13   24 o   7.0730   0.4400   6.7240   0.6655   7.4230   0.5757 -0.6990000 0.8800000 
1 1 1  -21   13   25 o   2.2610   0.6859   2.7360   1.0790   1.7860   0.8469 0.9503000 1.372000 
1 1 1  -21   13   26 o   3.2350   0.8853   3.0240   1.1090   3.4470   1.3800 -0.4231000 1.771000 
1 1 1  -21   13   27 o   4.7570   0.8692   4.5720   1.0130   4.9420   1.4130 -0.3702000 1.738000 
1 1 1  -21   13   28 o   4.1580   0.9570   2.9520   1.1970   5.3640   1.4930 -2.412000 1.914000 
1 1 1  -21   13   29 o   3.1900   0.8178   3.4720   1.1490   2.9080   1.1640 0.5646000 1.636000 
1 1 1  -21   13   30 o   4.8420   0.6787   4.4550   1.0310   5.2290   0.8826 -0.7741000 1.357000 
1 1 1  -21   13   31 o   3.0980   0.8601   2.6770   1.1460   3.5180   1.2830 -0.8406000 1.720000 
1 1 1  -21   15    1 o   5.7270   0.6839   4.3270   1.2620   7.1270   0.5276 -2.800000 1.368000 
1 1 1  -21   15    2 o   2.6780   0.8129   2.8940   1.2790   2.4610   1.0030 0.4335000 1.626000 
1 1 1  -21   15    3 o   38.550   0.3693   38.670   0.6420   38.430   0.3653 0.2381000 0.7386000 
1 1 1  -21   15    4 f   56.940   0.3271   56.690   0.4290   57.200   0.4939 -0.5085000 0.6542000 
1 1 1  -21   15    5 o   16.370   0.2204   16.060   0.3364   16.670   0.2847 -0.6116000 0.4407000 
1 1 1  -21   15    6 o   25.900   0.1911   25.950   0.2711   25.850   0.2695 0.9632000E-01 0.3822000 
1 1 1  -21   15    7 o   25.390   0.2490   24.750   0.3898   26.020   0.3100 -1.271000 0.4980000 
1 1 1  -21   15    8 o   20.650   0.2069   20.580   0.3141   20.720   0.2694 -0.1392000 0.4138000 
1 1 1  -21   15    9 o   6.5240   0.4598   6.1200   0.7390   6.9280   0.5474 -0.8076000 0.9197000 
1 1 1  -21   15   10 o   11.260   0.2793   11.430   0.4260   11.090   0.3614 0.3334000 0.5586000 
1 1 1  -21   15   11 o   4.8480   0.5965   5.1380   0.8558   4.5580   0.8312 0.5807000 1.193000 
1 1 1  -21   15   12 o   33.420   0.2271   33.400   0.3446   33.440   0.2959 -0.3741000E-01 0.4543000 
1 1 1  -21   15   13 o   20.110   0.3149  ?   ?    20.110   0.3149      ?      ? 
1 1 1  -21   15   14 o   6.6120   0.5388   6.0330   0.8845   7.1910   0.6156 -1.158000 1.078000 
1 1 1  -21   15   15 o   4.0930   0.8570   4.1400   1.2310   4.0470   1.1930 0.9319000E-01 1.714000 
1 1 1  -21   15   16 o   7.9510   0.4961   7.9070   0.7402   7.9940   0.6608 -0.8735000E-01 0.9922000 
1 1 1  -21   15   17 o   15.790   0.2482   15.740   0.3510   15.850   0.3511 -0.1165000 0.4964000 
1 1 1  -21   15   18 o   8.6880   0.3689   8.4830   0.5357   8.8930   0.5073 -0.4099000 0.7377000 
1 1 1  -21   15   19 f   10.510   0.3110   10.430   0.4428   10.580   0.4368 -0.1543000 0.6220000 
1 1 1  -21   15   20 o   12.830   0.2975   12.550   0.3980   13.110   0.4423 -0.5580000 0.5950000 
1 1 1  -21   15   21 o   20.170   0.2306   20.090   0.3242   20.240   0.3281 -0.1506000 0.4613000 
1 1 1  -21   15   22 o   16.130   0.2480   16.340   0.3557   15.910   0.3455 0.4309000 0.4959000 
1 1 1  -21   15   23 o   9.3910   0.3533   9.9310   0.4879   8.8520   0.5110 1.078000 0.7065000 
1 1 1  -21   15   24 o   3.5520   0.6971   4.8090   0.9735   2.2950   0.9980 2.514000 1.394000 
1 1 1  -21   15   25 o   9.0110   0.3717   8.4700   0.5647   9.5520   0.4834 -1.083000 0.7434000 
1 1 1  -21   15   26 o   2.7220   0.8022   3.1800   1.2090   2.2640   1.0550 0.9162000 1.604000 
1 1 1  -21   15   27 o   8.6980   0.5558   8.6980   0.5558  ?   ?       ?      ? 
1 1 1  -21   15   28 o   3.5250   0.9042   3.7100   1.1430   3.3400   1.4010 0.3701000 1.808000 
1 1 1  -21   15   29 o   8.5860   0.4489   9.0860   0.6754   8.0870   0.5915 0.9989000 0.8978000 
1 1 1  -21   15   30 o   3.5940   1.5240   3.5940   1.5240  ?   ?       ?      ? 
1 1 1  -21   17    1 o   12.850   0.2907   12.180   0.4221   13.510   0.4000 -1.330000 0.5815000 
1 1 1  -21   17    2 o   9.0680   0.3553   9.3120   0.4478   8.8240   0.5517 0.4879000 0.7106000 
1 1 1  -21   17    3 o   6.1800   0.4512   6.2810   0.6257   6.0790   0.6503 0.2018000 0.9024000 
1 1 1  -21   17    4 o   23.010   0.1940   23.120   0.2749   22.900   0.2739 0.2197000 0.3881000 
1 1 1  -21   17    5 o   14.980   0.2189   14.990   0.3073   14.970   0.3117 0.1785000E-01 0.4377000 
1 1 1  -21   17    6 f   28.860   0.2185   28.650   0.2858   29.070   0.3305 -0.4136000 0.4370000 
1 1 1  -21   17    7 o   11.370   0.3542   10.810   0.5669   11.930   0.4246 -1.124000 0.7083000 
1 1 1  -21   17    8 o   14.220   0.2946   14.360   0.4535   14.080   0.3760 0.2800000 0.5891000 
1 1 1  -21   17    9 f   6.3010   0.5842   6.6040   0.8812   5.9980   0.7674 0.6057000 1.168000 
1 1 1  -21   17   10 o   14.580   0.2963   14.370   0.4631   14.790   0.3697 -0.4217000 0.5925000 
1 1 1  -21   17   11 f   16.950   0.2718   16.530   0.4327   17.370   0.3290 -0.8386000 0.5436000 
1 1 1  -21   17   12 o   18.790   0.2660   18.370   0.4220   19.210   0.3240 -0.8415000 0.5320000 
1 1 1  -21   17   13 o   16.960   0.2409   16.430   0.3538   17.480   0.3269 -1.054000 0.4817000 
1 1 1  -21   17   14 o   2.6470   0.6651   1.8590   0.8742   3.4340   1.0030 -1.576000 1.330000 
1 1 1  -21   17   15 o   7.3420   0.4514   7.8240   0.5864   6.8610   0.6863 0.9629000 0.9027000 
1 1 1  -21   17   16 o   10.700   0.3241   10.720   0.4521   10.680   0.4645 0.3832000E-01 0.6482000 
1 1 1  -21   17   17 o   4.2080   0.7145   4.5770   0.9528   3.8400   1.0650 0.7371000 1.429000 
1 1 1  -21   17   18 o   19.030   0.2657   18.880   0.3370   19.190   0.4108 -0.3079000 0.5314000 
1 1 1  -21   17   19 o   9.9830   0.3435   10.420   0.4586   9.5440   0.5114 0.8795000 0.6870000 
1 1 1  -21   17   20 o   6.4570   0.4894   6.1570   0.7339   6.7570   0.6478 -0.6000000 0.9789000 
1 1 1  -21   17   21 o   2.4420   0.7223   2.6280   1.0610   2.2560   0.9799 0.3724000 1.445000 
1 1 1  -21   17   22 o   15.350   0.2616   14.990   0.3710   15.710   0.3689 -0.7283000 0.5232000 
1 1 1  -21   17   23 o   6.5020   0.4938   6.4780   0.7003   6.5250   0.6964 -0.4701000E-01 0.9876000 
1 1 1  -21   17   24 o   10.030   0.4523   10.650   0.5854   9.3970   0.6896 1.258000 0.9046000 
1 1 1  -21   17   25 o   2.1710   0.6977   2.2570   0.9956   2.0850   0.9775 0.1715000 1.395000 
1 1 1  -21   17   26 o   2.5730   0.7317   3.1290   1.1290   2.0160   0.9313 1.114000 1.463000 
1 1 1  -21   17   27 o   3.3610   0.7964   3.0190   1.1390   3.7040   1.1140 -0.6855000 1.593000 
1 1 1  -21   17   28 o   8.7010   0.6605   9.5400   0.6591   7.8620   1.1450 1.679000 1.321000 
1 1 1  -21   19    1 o   11.360   0.3114   11.300   0.4467   11.420   0.4339 -0.1156000 0.6227000 
1 1 1  -21   19    2 o   13.440   0.2737   13.410   0.3920   13.460   0.3819 -0.5355000E-01 0.5473000 
1 1 1  -21   19    3 o   7.2980   0.4689   6.0900   0.7659   8.5070   0.5414 -2.417000 0.9379000 
1 1 1  -21   19    4 o   12.890   0.2803   13.000   0.3989   12.780   0.3939 0.2192000 0.5606000 
1 1 1  -21   19    5 o   20.650   0.2305   20.160   0.3263   21.130   0.3256 -0.9703000 0.4610000 
1 1 1  -21   19    6 f   4.6420   0.6773   5.2540   0.8434   4.0310   1.0600 1.223000 1.355000 
1 1 1  -21   19    7 o   10.800   0.3080   10.470   0.4824   11.140   0.3832 -0.6637000 0.6160000 
1 1 1  -21   19    8 o   8.3690   0.3715   8.4260   0.5621   8.3120   0.4859 0.1140000 0.7430000 
1 1 1  -21   19    9 o   8.5410   0.3680   8.4100   0.5749   8.6720   0.4595 -0.2618000 0.7359000 
1 1 1  -21   19   10 o   9.2740   0.3445   9.6730   0.5095   8.8750   0.4638 0.7986000 0.6890000 
1 1 1  -21   19   11 o   5.0510   0.6007   5.5020   0.8463   4.6010   0.8527 0.9009000 1.201000 
1 1 1  -21   19   12 o   7.9460   0.3758   7.9390   0.5695   7.9530   0.4906 -0.1415000E-01 0.7517000 
1 1 1  -21   19   13 o   11.360   0.2854   11.700   0.4256   11.010   0.3804 0.6858000 0.5709000 
1 1 1  -21   19   14 o   16.600   0.2468   16.420   0.3513   16.780   0.3466 -0.3541000 0.4935000 
1 1 1  -21   19   15 o   8.9780   0.3559   9.2830   0.4937   8.6740   0.5128 0.6089000 0.7119000 
1 1 1  -21   19   16 o   8.8510   0.3512   8.5520   0.5391   9.1510   0.4503 -0.5998000 0.7024000 
1 1 1  -21   19   17 o   6.8280   0.4803   6.7000   0.6829   6.9570   0.6755 -0.2576000 0.9605000 
1 1 1  -21   19   18 o   6.4030   0.5115   5.6300   0.7966   7.1770   0.6419 -1.547000 1.023000 
1 1 1  -21   19   19 o   6.6590   0.4868   7.1870   0.6445   6.1320   0.7297 1.055000 0.9735000 
1 1 1  -21   19   20 o   12.710   0.3002   12.130   0.4325   13.280   0.4165 -1.154000 0.6005000 
1 1 1  -21   19   21 o   7.6100   0.4428   7.2340   0.6483   7.9870   0.6035 -0.7538000 0.8857000 
1 1 1  -21   19   22 o   10.670   0.4449   10.090   0.6251   11.260   0.6334 -1.175000 0.8899000 
1 1 1  -21   19   23 f   11.280   0.3680   11.650   0.4523   10.920   0.5806 0.7263000 0.7360000 
1 1 1  -21   19   24 o   2.7550   0.7600   2.3340   1.0200   3.1760   1.1270 -0.8415000 1.520000 
1 1 1  -21   19   25 o   6.1280   0.5800   6.8310   0.7106   5.4240   0.9168 1.407000 1.160000 
1 1 1  -21   19   26 o   2.2790   0.7231   2.1040   0.9948   2.4530   1.0500 -0.3484000 1.446000 
1 1 1  -21   19   27 o   2.3890   1.1700   2.3890   1.1700  ?   ?       ?      ? 
1 1 1  -21   21    1 o   16.110   0.2282   15.650   0.3249   16.570   0.3206 -0.9218000 0.4564000 
1 1 1  -21   21    2 o   10.040   0.3052   10.440   0.4066   9.6300   0.4552 0.8124000 0.6103000 
1 1 1  -21   21    3 o   8.2040   0.3634   8.2910   0.5042   8.1180   0.5235 0.1727000 0.7268000 
1 1 1  -21   21    4 o   9.2520   0.3237   9.3630   0.4476   9.1410   0.4676 0.2229000 0.6473000 
1 1 1  -21   21    5 f   5.6850   0.5110   5.1800   0.7831   6.1900   0.6566 -1.009000 1.022000 
1 1 1  -21   21    6 o   10.580   0.2858   10.510   0.4013   10.640   0.4069 -0.1317000 0.5716000 
1 1 1  -21   21    7 o   15.770   0.2449   15.650   0.3711   15.900   0.3196 -0.2496000 0.4897000 
1 1 1  -21   21    8 o   5.6780   0.5843   5.1280   0.9038   6.2290   0.7406 -1.101000 1.169000 
1 1 1  -21   21    9 o   12.680   0.2929   13.080   0.4134   12.280   0.4150 0.7942000 0.5858000 
1 1 1  -21   21   10 o   15.490   0.2637   15.280   0.3851   15.700   0.3602 -0.4241000 0.5273000 
1 1 1  -21   21   11 o   8.6400   0.3902   8.3980   0.5857   8.8830   0.5155 -0.4849000 0.7803000 
1 1 1  -21   21   12 f   6.4530   0.4675   7.0670   0.6447   5.8390   0.6772 1.228000 0.9350000 
1 1 1  -21   21   13 o   5.6600   0.5339   5.6710   0.7947   5.6490   0.7133 0.2204000E-01 1.068000 
1 1 1  -21   21   14 o   9.2850   0.3418   8.7530   0.5360   9.8170   0.4244 -1.063000 0.6837000 
1 1 1  -21   21   15 o   1.7960   0.5994   2.0870   0.9458   1.5050   0.7366 0.5815000 1.199000 
1 1 1  -21   21   16 o   16.690   0.2393   16.660   0.3622   16.720   0.3127 -0.5935000E-01 0.4785000 
1 1 1  -21   21   17 o   4.6270   0.6585   4.2240   1.0300   5.0310   0.8200 -0.8071000 1.317000 
1 1 1  -21   21   18 o   4.4060   0.6832   3.9300   1.0830   4.8820   0.8337 -0.9522000 1.366000 
1 1 1  -21   21   19 f   2.4370   0.7792   2.2790   1.0360   2.5950   1.1650 -0.3169000 1.558000 
1 1 1  -21   21   20 o   5.3730   0.6363   5.1120   0.9273   5.6340   0.8717 -0.5226000 1.273000 
1 1 1  -21   21   21 o   3.5500   0.8309   3.8170   1.1170   3.2820   1.2310 0.5346000 1.662000 
1 1 1  -21   21   22 o   5.2320   0.6596   5.1640   0.9462   5.3010   0.9192 -0.1367000 1.319000 
1 1 1  -21   21   23 o   4.2710   0.7531   4.8670   0.9742   3.6740   1.1490 1.193000 1.506000 
1 1 1  -21   21   24 o   2.4670   0.7692   2.4220   1.0940   2.5130   1.0810 -0.9098000E-01 1.538000 
1 1 1  -21   21   25 o   4.3770   0.9291   5.5930   1.2540   3.1620   1.3710 2.431000 1.858000 
1 1 1  -21   23    1 o   15.570   0.2324   15.580   0.3242   15.550   0.3331 0.3644000E-01 0.4648000 
1 1 1  -21   23    2 o   2.9270   0.6714   3.8600   0.9906   1.9940   0.9065 1.866000 1.343000 
1 1 1  -21   23    3 o   5.4630   0.5377   5.9810   0.6613   4.9440   0.8480 1.037000 1.075000 
1 1 1  -21   23    4 o   3.1840   0.7056   2.4620   1.0000   3.9070   0.9955 -1.445000 1.411000 
1 1 1  -21   23    5 o   16.950   0.2210   16.820   0.3116   17.090   0.3133 -0.2628000 0.4419000 
1 1 1  -21   23    6 o   4.5780   0.6236   4.6120   0.8609   4.5430   0.9025 0.6879000E-01 1.247000 
1 1 1  -21   23    7 o   8.3120   0.3838   8.2220   0.5867   8.4010   0.4949 -0.1792000 0.7676000 
1 1 1  -21   23    8 o   3.8230   0.7460   3.4990   1.1360   4.1470   0.9678 -0.6480000 1.492000 
1 1 1  -21   23    9 o   14.360   0.2591   14.470   0.3930   14.250   0.3376 0.2163000 0.5181000 
1 1 1  -21   23   10 o   2.9790   0.7587   2.8100   1.1050   3.1470   1.0410 -0.3373000 1.517000 
1 1 1  -21   23   11 o   5.1250   0.6226   4.7040   1.0260   5.5460   0.7055 -0.8414000 1.245000 
1 1 1  -21   23   12 o   4.2210   0.6965   4.8090   0.9637   3.6340   1.0060 1.174000 1.393000 
1 1 1  -21   23   13 o   3.2370   0.7512   2.9230   1.1000   3.5510   1.0240 -0.6286000 1.502000 
1 1 1  -21   23   14 o   4.9210   0.6412   4.5810   1.0080   5.2600   0.7930 -0.6796000 1.282000 
1 1 1  -21   23   15 o   3.8490   0.8243   3.6100   1.2220   4.0890   1.1070 -0.4792000 1.649000 
1 1 1  -21   23   16 o   7.0170   0.5247   7.2160   0.7693   6.8180   0.7138 0.3981000 1.049000 
1 1 1  -21   23   17 o   3.1030   0.7537   3.5250   1.1020   2.6820   1.0290 0.8426000 1.507000 
1 1 1  -21   23   18 o   4.1980   0.7450   3.7210   1.1080   4.6750   0.9958 -0.9539000 1.490000 
1 1 1  -21   23   19 o   4.9330   0.7398   5.8840   0.7872   3.9820   1.2530 1.902000 1.480000 
1 1 1  -21   23   20 o   8.7620   0.4089   8.7000   0.5762   8.8250   0.5804 -0.1249000 0.8179000 
1 1 1  -21   23   21 o   3.9510   0.8006   3.6420   1.1760   4.2600   1.0860 -0.6177000 1.601000 
1 1 1  -21   23   22 o   2.8710   0.9070   3.3450   1.4490   2.3960   1.0910 0.9488000 1.814000 
1 1 1  -21   25    1 o   2.3440   0.6977   2.4200   0.9998   2.2690   0.9735 0.1505000 1.395000 
1 1 1  -21   25    2 o   3.9990   0.6789   4.7890   0.8536   3.2090   1.0560 1.580000 1.358000 
1 1 1  -21   25    3 o   5.7450   0.5084   5.3270   0.7723   6.1630   0.6615 -0.8357000 1.017000 
1 1 1  -21   25    4 o   6.6670   0.4402   7.0620   0.5803   6.2730   0.6620 0.7888000 0.8803000 
1 1 1  -21   25    5 o   8.4930   0.3544   8.3620   0.5090   8.6240   0.4932 -0.2623000 0.7087000 
1 1 1  -21   25    6 o   12.370   0.2885   12.790   0.4183   11.950   0.3975 0.8435000 0.5771000 
1 1 1  -21   25    7 o   8.6860   0.4450   9.3700   0.6426   8.0020   0.6158 1.368000 0.8900000 
1 1 1  -21   25    8 o   10.130   0.3986   9.7760   0.6231   10.480   0.4973 -0.7040000 0.7972000 
1 1 1  -21   25    9 o   3.4830   0.7756   2.6080   1.1270   4.3580   1.0660 -1.750000 1.551000 
1 1 1  -21   25   10 o   7.8630   0.4967   7.1150   0.8160   8.6100   0.5665 -1.496000 0.9934000 
1 1 1  -21   25   11 o   2.2980   0.7003   2.2490   1.0050   2.3480   0.9757 -0.9908000E-01 1.401000 
1 1 1  -21   25   12 o   3.5140   0.7642   3.6200   1.1230   3.4090   1.0360 0.2102000 1.528000 
1 1 1  -21   25   13 o   7.3590   0.4285   7.5050   0.6378   7.2120   0.5724 0.2932000 0.8570000 
1 1 1  -21   25   14 o   5.1630   0.6277   4.8910   0.9817   5.4350   0.7823 -0.5441000 1.255000 
1 1 1  -21   25   15 o   7.3290   0.4455   6.9510   0.6982   7.7060   0.5536 -0.7548000 0.8910000 
1 1 1  -21   25   16 o   5.3650   0.7266   6.6170   0.7316   4.1140   1.2560 2.503000 1.453000 
1 1 1  -21   25   17 o   2.8870   0.8099   3.1180   1.1380   2.6560   1.1530 0.4621000 1.620000 
1 1 1  -21   25   18 o   7.2640   0.5560   7.3150   0.8596   7.2140   0.7054 0.1006000 1.112000 
1 1 1  -21   25   19 o   2.9290   0.8905   2.5430   1.2220   3.3150   1.2960 -0.7723000 1.781000 
1 1 1  -21   27    1 o   3.5740   0.7521   3.7580   1.0650   3.3910   1.0630 0.3665000 1.504000 
1 1 1  -21   27    2 o   2.3810   0.6793   3.0280   1.0780   1.7350   0.8266 1.293000 1.359000 
1 1 1  -21   27    3 f   3.1550   0.7246   2.4520   1.0180   3.8580   1.0320 -1.407000 1.449000 
1 1 1  -21   27    4 o   2.4170   0.6970   1.9370   0.8991   2.8980   1.0650 -0.9611000 1.394000 
1 1 1  -21   27    5 o   2.5600   0.7167   3.1510   1.0950   1.9680   0.9248 1.183000 1.433000 
1 1 1  -21   27    6 o   4.0560   0.6990   3.3750   1.0830   4.7380   0.8836 -1.362000 1.398000 
1 1 1  -21   27    7 o   3.4420   0.7695   3.0280   1.1400   3.8570   1.0340 -0.8290000 1.539000 
1 1 1  -21   27    8 o   3.9870   0.7631   4.1000   1.1250   3.8750   1.0320 0.2242000 1.526000 
1 1 1  -21   27    9 o   2.6970   0.7483   3.2270   1.1530   2.1670   0.9547 1.060000 1.497000 
1 1 1  -21   27   10 o   8.8300   0.3923   8.7770   0.5939   8.8830   0.5129 -0.1055000 0.7847000 
1 1 1  -21   27   11 o   3.9670   0.7422   3.1470   1.1770   4.7870   0.9044 -1.640000 1.484000 
1 1 1  -21   27   12 o   5.2920   0.6341   5.1220   0.9877   5.4620   0.7955 -0.3399000 1.268000 
1 1 1  -21   27   13 o   2.1660   0.7215   1.9850   0.9621   2.3470   1.0760 -0.3626000 1.443000 
1 1 1  -21   27   14 o   3.8120   1.0010   2.9020   1.3410   4.7230   1.4850 -1.821000 2.001000 
1 1 1  -21   27   15 o   2.0060   0.6931   1.8760   0.9455   2.1350   1.0140 -0.2593000 1.386000 
1 1 1  -21   27   16 o   2.5420   0.7657   2.0960   1.0020   2.9880   1.1580 -0.8922000 1.531000 
1 1 1  -21   29    1 f   2.9800   0.7721   3.8210   1.1920   2.1400   0.9820 1.681000 1.544000 
1 1 1  -21   29    2 o   2.3590   0.7143   1.7620   0.8611   2.9570   1.1400 -1.195000 1.429000 
1 1 1  -21   29    3 o   2.2590   0.7197   2.4090   1.0650   2.1080   0.9688 0.3010000 1.439000 
1 1 1  -21   29    4 o   5.5210   0.7055   4.4360   1.1830   6.6050   0.7685 -2.169000 1.411000 
1 1 1  -21   29    5 o   4.4300   0.7980   4.9040   1.1110   3.9560   1.1460 0.9480000 1.596000 
1 1 1  -21   29    6 o   6.4790   0.6148   7.7450   0.7154   5.2130   1.0000 2.532000 1.230000 
1 1 1  -21   29    7 o   2.0750   0.6995   2.4070   1.1120   1.7420   0.8493 0.6652000 1.399000 
1 1 1  -21   29    8 o   1.7660   0.6125   1.6830   0.8417   1.8480   0.8901 -0.1652000 1.225000 
1 1 1  -21   29    9 o   5.2050   0.7946   5.8380   1.1530   4.5730   1.0940 1.265000 1.589000 
1 1 1  -21   29   10 o   1.8880   0.6383   1.6760   0.8283   2.1010   0.9714 -0.4256000 1.277000 
1 1 1  -20    0    1 o   0.9550   0.6373   0.9550   0.6373   0.9550   0.6373 -0.000000 0.000000 
1 1 1  -20    0    2 f   8.5260   0.1910   8.5260   0.1910   8.5260   0.1910 -0.000000 0.000000 
1 1 1  -20    0    3 o   5.7010   0.2116   5.7010   0.2116   5.7010   0.2116 -0.000000 0.000000 
1 1 1  -20    0    4 o   7.8110   0.1642   7.8110   0.1642   7.8110   0.1642 -0.000000 0.000000 
1 1 1  -20    0    5 o   18.790   0.1462   18.790   0.1462   18.790   0.1462 -0.000000 0.000000 
1 1 1  -20    0    6 o   49.120   0.3484   49.120   0.3484   49.120   0.3484 -0.000000 0.000000 
1 1 1  -20    0    7 o   18.600   0.2197   18.600   0.2197   18.600   0.2197 -0.000000 0.000000 
1 1 1  -20    0    8 o   28.080   0.2445   28.080   0.2445   28.080   0.2445 -0.000000 0.000000 
1 1 1  -20    0    9 o   27.910   0.2138   27.910   0.2138   27.910   0.2138 -0.000000 0.000000 
1 1 1  -20    0   10 o   8.6180   0.2027   8.6180   0.2027   8.6180   0.2027 -0.000000 0.000000 
1 1 1  -20    0   11 o   9.5160   0.2072   9.5160   0.2072   9.5160   0.2072 -0.000000 0.000000 
1 1 1  -20    0   12 o   10.990   0.2899   10.990   0.2899   10.990   0.2899 -0.000000 0.000000 
1 1 1  -20    0   13 f   57.850   0.4168   57.850   0.4168   57.850   0.4168 -0.000000 0.000000 
1 1 1  -20    0   14 o   28.960   0.2377   28.960   0.2377   28.960   0.2377 -0.000000 0.000000 
1 1 1  -20    0   15 o   41.690   0.3145   41.690   0.3145   41.690   0.3145 -0.000000 0.000000 
1 1 1  -20    0   16 o   18.690   0.2246   18.690   0.2246   18.690   0.2246 -0.000000 0.000000 
1 1 1  -20    0   17 o   17.890   0.2328   17.890   0.2328   17.890   0.2328 -0.000000 0.000000 
1 1 1  -20    0   18 o   25.550   0.2822   25.550   0.2822   25.550   0.2822 -0.000000 0.000000 
1 1 1  -20    0   19 o   36.940   0.4207   36.940   0.4207   36.940   0.4207 -0.000000 0.000000 
1 1 1  -20    0   20 o   43.310   0.6662   43.310   0.6662   43.310   0.6662 -0.000000 0.000000 
1 1 1  -20    0   21 o   4.7450   1.0820   4.7450   1.0820   4.7450   1.0820 -0.000000 0.000000 
1 1 1  -20    0   22 o   5.4250   0.6397   5.4250   0.6397   5.4250   0.6397 -0.000000 0.000000 
1 1 1  -20    0   23 o   20.610   0.2545   20.610   0.2545   20.610   0.2545 -0.000000 0.000000 
1 1 1  -20    0   24 o   17.050   0.2685   17.050   0.2685   17.050   0.2685 -0.000000 0.000000 
1 1 1  -20    0   25 o   1.7620   1.1380   1.7620   1.1380   1.7620   1.1380 -0.000000 0.000000 
1 1 1  -20    0   26 o   3.7010   1.0490   3.7010   1.0490   3.7010   1.0490 -0.000000 0.000000 
1 1 1  -20    0   27 o   1.4510   0.9400   1.4510   0.9400   1.4510   0.9400 -0.000000 0.000000 
1 1 1  -20    0   28 o   31.670   0.2917   31.670   0.2917   31.670   0.2917 -0.000000 0.000000 
1 1 1  -20    0   29 o   6.9920   0.5240   6.9920   0.5240   6.9920   0.5240 -0.000000 0.000000 
1 1 1  -20    0   30 o   15.600   0.2969   15.600   0.2969   15.600   0.2969 -0.000000 0.000000 
1 1 1  -20    0   31 o   7.6280   0.5658   7.6280   0.5658   7.6280   0.5658 -0.000000 0.000000 
1 1 1  -20    0   32 o   2.7410   1.4360   2.7410   1.4360   2.7410   1.4360 -0.000000 0.000000 
1 1 1  -20    0   33 f   1.6740   1.0800   1.6740   1.0800   1.6740   1.0800 -0.000000 0.000000 
1 1 1  -20    0   34 o   6.8130   0.6499   6.8130   0.6499   6.8130   0.6499 -0.000000 0.000000 
1 1 1  -20    2    1 o   24.320   0.1662   24.460   0.2557   24.170   0.2125 0.2958000 0.3324000 
1 1 1  -20    2    2 o   32.490   0.2691   32.300   0.4638   32.680   0.2731 -0.3867000 0.5382000 
1 1 1  -20    2    3 o   31.690   0.3324   31.810   0.4696   31.570   0.4706 0.2395000 0.6648000 
1 1 1  -20    2    4 o   12.840   0.1567   13.130   0.2857   12.550   0.1287 0.5809000 0.3133000 
1 1 1  -20    2    5 o   29.820   0.2185   29.850   0.3085   29.800   0.3095 0.4291000E-01 0.4370000 
1 1 1  -20    2    6 o   9.1990   0.1401   8.9470   0.1947   9.4520   0.2016 -0.5051000 0.2802000 
1 1 1  -20    2    7 o   24.950   0.1479   24.700   0.1914   25.190   0.2255 -0.4922000 0.2958000 
1 1 1  -20    2    8 o   26.670   0.1682   26.760   0.2379   26.580   0.2377 0.1836000 0.3363000 
1 1 1  -20    2    9 o   21.280   0.1389   21.200   0.1809   21.350   0.2109 -0.1496000 0.2778000 
1 1 1  -20    2   10 o   46.950   0.2598   47.010   0.3406   46.880   0.3923 0.1309000 0.5196000 
1 1 1  -20    2   11 o   23.650   0.2001   23.170   0.2802   24.140   0.2858 -0.9668000 0.4002000 
1 1 1  -20    2   12 o   62.680   0.5517   62.870   0.6377   62.480   0.9005 0.3893000 1.103000 
1 1 1  -20    2   13 o   52.440   0.3485   52.350   0.4396   52.530   0.5410 -0.1733000 0.6971000 
1 1 1  -20    2   14 o   35.870   0.2120   35.820   0.2775   35.920   0.3207 -0.9148000E-01 0.4241000 
1 1 1  -20    2   15 o   28.120   0.1841   28.280   0.2423   27.950   0.2772 0.3215000 0.3682000 
1 1 1  -20    2   16 o   24.050   0.1773   23.920   0.2341   24.180   0.2664 -0.2667000 0.3546000 
1 1 1  -20    2   17 o   22.990   0.2120   23.070   0.3258   22.900   0.2713 0.1701000 0.4239000 
1 1 1  -20    2   18 f   20.260   0.2155   19.820   0.3313   20.710   0.2756 -0.8886000 0.4310000 
1 1 1  -20    2   19 o   12.440   0.2388   12.400   0.3450   12.490   0.3303 -0.8374000E-01 0.4776000 
1 1 1  -20    2   20 o   13.670   0.2657   14.230   0.3215   13.110   0.4231 1.122000 0.5313000 
1 1 1  -20    2   21 o   22.420   0.2805   22.470   0.2916   22.360   0.4793 0.1172000 0.5610000 
1 1 1  -20    2   22 o   25.000   0.2235   25.050   0.2576   24.960   0.3654 0.8872000E-01 0.4471000 
1 1 1  -20    2   23 o   11.280   0.2510   11.590   0.3224   10.970   0.3847 0.6217000 0.5019000 
1 1 1  -20    2   24 o   8.8040   0.3077   8.9780   0.3932   8.6310   0.4734 0.3472000 0.6154000 
1 1 1  -20    2   25 o   2.9680   0.8424   2.8230   1.1260   3.1120   1.2530 -0.2886000 1.685000 
1 1 1  -20    2   26 o   7.8520   0.3439   7.8090   0.4527   7.8950   0.5178 -0.8562000E-01 0.6878000 
1 1 1  -20    2   27 o   15.500   0.2150   15.420   0.2860   15.580   0.3211 -0.1569000 0.4300000 
1 1 1  -20    2   28 o   11.880   0.2526   11.760   0.3353   12.000   0.3777 -0.2414000 0.5051000 
1 1 1  -20    2   29 o   7.9370   0.3520   8.1590   0.4483   7.7140   0.5427 0.4443000 0.7039000 
1 1 1  -20    2   30 o   11.950   0.2632   11.720   0.3527   12.190   0.3906 -0.4611000 0.5263000 
1 1 1  -20    2   31 o   10.880   0.2906   11.370   0.3647   10.400   0.4525 0.9699000 0.5812000 
1 1 1  -20    2   32 o   9.6390   0.3951   10.070   0.4925   9.2040   0.6179 0.8702000 0.7901000 
1 1 1  -20    2   33 o   2.8140   0.7412   2.9930   1.0440   2.6360   1.0520 0.3572000 1.482000 
1 1 1  -20    2   34 o   6.0340   0.5094   5.9690   0.6982   6.0990   0.7421 -0.1303000 1.019000 
1 1 1  -20    4    1 o   26.770   0.1703   26.490   0.2359   27.050   0.2458 -0.5579000 0.3407000 
1 1 1  -20    4    2 o   20.220   0.1223   20.030   0.1712   20.410   0.1746 -0.3864000 0.2446000 
1 1 1  -20    4    3 o   8.3440   0.1474   8.9230   0.2119   7.7650   0.2051 1.157000 0.2949000 
1 1 1  -20    4    4 o   15.080   0.1255   14.730   0.1823   15.430   0.1724 -0.7028000 0.2509000 
1 1 1  -20    4    5 o   27.880   0.1642   27.900   0.2491   27.860   0.2140 0.3755000E-01 0.3284000 
1 1 1  -20    4    6 o   34.450   0.2355   34.300   0.3649   34.610   0.2977 -0.3054000 0.4709000 
1 1 1  -20    4    7 o   33.420   0.2306   33.230   0.3568   33.610   0.2921 -0.3812000 0.4611000 
1 1 1  -20    4    8 o   18.770   0.1678   19.000   0.2130   18.540   0.2594 0.4627000 0.3357000 
1 1 1  -20    4    9 o   21.600   0.1574   21.610   0.2245   21.580   0.2208 0.2552000E-01 0.3148000 
1 1 1  -20    4   10 o   49.800   0.3618   49.640   0.5113   49.960   0.5121 -0.3200000 0.7237000 
1 1 1  -20    4   11 o   47.820   0.2675   47.910   0.3504   47.720   0.4042 0.1912000 0.5350000 
1 1 1  -20    4   12 o   45.610   0.3080   45.800   0.3911   45.430   0.4760 0.3679000 0.6161000 
1 1 1  -20    4   13 o   21.580   0.1917   21.310   0.2427   21.850   0.2968 -0.5421000 0.3834000 
1 1 1  -20    4   14 o   30.040   0.2157   30.420   0.2514   29.670   0.3504 0.7455000 0.4313000 
1 1 1  -20    4   15 o   3.5950   0.6465   4.2570   0.9139   2.9340   0.9147 1.323000 1.293000 
1 1 1  -20    4   16 o   44.890   0.3102   45.250   0.4834   44.530   0.3887 0.7168000 0.6203000 
1 1 1  -20    4   17 o   39.320   0.2809   39.270   0.4346   39.370   0.3559 -0.1026000 0.5618000 
1 1 1  -20    4   18 o   10.100   0.2579   10.100   0.3470   10.110   0.3817 -0.1172000E-01 0.5159000 
1 1 1  -20    4   19 o   22.150   0.2251   22.570   0.2872   21.740   0.3466 0.8357000 0.4501000 
1 1 1  -20    4   20 o   26.280   0.2347   26.160   0.3003   26.390   0.3608 -0.2300000 0.4694000 
1 1 1  -20    4   21 o   3.0490   0.6827   3.7700   0.9798   2.3270   0.9510 1.444000 1.365000 
1 1 1  -20    4   22 o   5.5320   0.6687   6.2140   0.5570   4.8490   1.2160 1.365000 1.337000 
1 1 1  -20    4   23 o   12.130   0.3446   13.070   0.3083   11.200   0.6164 1.877000 0.6892000 
1 1 1  -20    4   24 o   10.090   0.3262   10.060   0.4425   10.120   0.4795 -0.5949000E-01 0.6524000 
1 1 1  -20    4   25 o   18.680   0.2461   18.520   0.3024   18.840   0.3883 -0.3290000 0.4922000 
1 1 1  -20    4   26 o   13.820   0.2273   13.690   0.3033   13.940   0.3386 -0.2470000 0.4546000 
1 1 1  -20    4   27 o   10.940   0.2664   11.080   0.3423   10.800   0.4083 0.2816000 0.5328000 
1 1 1  -20    4   28 o   11.490   0.2679   11.740   0.3508   11.240   0.4050 0.5024000 0.5358000 
1 1 1  -20    4   29 o   7.5440   0.3773   7.7670   0.4946   7.3210   0.5700 0.4469000 0.7547000 
1 1 1  -20    4   30 o   14.850   0.2360   14.740   0.3172   14.950   0.3496 -0.2130000 0.4721000 
1 1 1  -20    4   31 o   10.280   0.3054   10.050   0.4131   10.510   0.4498 -0.4594000 0.6107000 
1 1 1  -20    4   32 o   6.2830   0.6451   6.9710   0.8107   5.5950   1.0040 1.375000 1.290000 
1 1 1  -20    4   33 o   3.4130   0.7451   2.8400   1.0450   3.9860   1.0630 -1.146000 1.490000 
1 1 1  -20    4   34 o   8.9090   1.1430   8.9090   1.1430  ?   ?       ?      ? 
1 1 1  -20    6    1 o   13.190   0.1366   13.020   0.2048   13.370   0.1809 -0.3590000 0.2732000 
1 1 1  -20    6    2 o   37.430   0.1978   37.510   0.2802   37.360   0.2792 0.1507000 0.3956000 
1 1 1  -20    6    3 o   36.120   0.2084   36.610   0.3191   35.640   0.2681 0.9720000 0.4168000 
1 1 1  -20    6    4 o   48.010   0.2859   47.910   0.4036   48.120   0.4051 -0.2117000 0.5718000 
1 1 1  -20    6    5 o   28.270   0.1850   28.540   0.2654   28.010   0.2577 0.5235000 0.3700000 
1 1 1  -20    6    6 o   25.980   0.1872   26.260   0.3077   25.710   0.2132 0.5464000 0.3744000 
1 1 1  -20    6    7 o   8.3400   0.2532   8.4850   0.3506   8.1950   0.3655 0.2901000 0.5064000 
1 1 1  -20    6    8 o   23.700   0.2085   23.220   0.2943   24.180   0.2954 -0.9572000 0.4169000 
1 1 1  -20    6    9 o   44.780   0.2709   44.540   0.3816   45.020   0.3847 -0.4770000 0.5418000 
1 1 1  -20    6   10 o   53.790   0.3197   53.610   0.4511   53.970   0.4531 -0.3629000 0.6394000 
1 1 1  -20    6   11 o   64.700   0.4256   64.960   0.5407   64.430   0.6574 0.5283000 0.8512000 
1 1 1  -20    6   12 o   37.360   0.2374   37.730   0.3391   36.990   0.3324 0.7409000 0.4748000 
1 1 1  -20    6   13 o   22.430   0.2249   22.470   0.3189   22.380   0.3171 0.9320000E-01 0.4498000 
1 1 1  -20    6   14 o   54.090   0.3641   54.190   0.5652   54.000   0.4593 0.1935000 0.7283000 
1 1 1  -20    6   15 o   7.7060   0.3605   7.1770   0.5890   8.2340   0.4160 -1.057000 0.7211000 
1 1 1  -20    6   16 o   34.360   0.2306   34.630   0.3298   34.080   0.3224 0.5491000 0.4612000 
1 1 1  -20    6   17 o   18.700   0.1899   18.860   0.2500   18.540   0.2859 0.3193000 0.3798000 
1 1 1  -20    6   18 o   7.5440   0.4167   6.4710   0.5940   8.6180   0.5847 -2.147000 0.8335000 
1 1 1  -20    6   19 o   17.040   0.2377   16.980   0.2984   17.110   0.3700 -0.1259000 0.4753000 
1 1 1  -20    6   20 o   36.440   0.2450   36.460   0.3462   36.410   0.3469 0.4840000E-01 0.4901000 
1 1 1  -20    6   21 o   17.270   0.1984   17.120   0.2658   17.420   0.2946 -0.3030000 0.3968000 
1 1 1  -20    6   22 o   13.140   0.2282   13.250   0.3025   13.030   0.3417 0.2140000 0.4564000 
1 1 1  -20    6   23 o   6.8730   0.5641   6.8950   0.5978   6.8500   0.9567 0.4514000E-01 1.128000 
1 1 1  -20    6   24 o   8.4580   0.4466   8.6830   0.4272   8.2340   0.7843 0.4488000 0.8931000 
1 1 1  -20    6   25 o   4.9020   0.7594   4.6100   0.9122   5.1950   1.2140 -0.5852000 1.519000 
1 1 1  -20    6   26 o   5.7780   0.4811   5.1520   0.7356   6.4030   0.6202 -1.251000 0.9622000 
1 1 1  -20    6   27 o   2.9220   0.7115   3.2320   1.0020   2.6120   1.0100 0.6196000 1.423000 
1 1 1  -20    6   28 o   11.610   0.2641   11.650   0.3537   11.570   0.3923 0.7568000E-01 0.5282000 
1 1 1  -20    6   29 o   4.4560   0.6369   4.7140   0.8291   4.1980   0.9671 0.5156000 1.274000 
1 1 1  -20    6   30 o   11.680   0.2723   11.590   0.3684   11.760   0.4009 -0.1696000 0.5445000 
1 1 1  -20    6   31 o   3.1960   0.8150   2.7170   1.0750   3.6740   1.2260 -0.9564000 1.630000 
1 1 1  -20    6   32 o   2.4700   0.7315   2.6570   1.0730   2.2830   0.9942 0.3741000 1.463000 
1 1 1  -20    6   33 f   3.4210   0.7341   4.0770   0.9908   2.7650   1.0830 1.312000 1.468000 
1 1 1  -20    8    1 f   10.190   0.1768   10.530   0.2593   9.8610   0.2403 0.6658000 0.3535000 
1 1 1  -20    8    2 o   18.950   0.1641   19.520   0.2377   18.380   0.2264 1.137000 0.3282000 
1 1 1  -20    8    3 o   11.230   0.1586   11.200   0.2254   11.260   0.2230 -0.6154000E-01 0.3171000 
1 1 1  -20    8    4 o   12.130   0.1528   12.130   0.2156   12.120   0.2166 0.1576000E-01 0.3056000 
1 1 1  -20    8    5 o   19.440   0.1556   19.370   0.2363   19.500   0.2026 -0.1252000 0.3113000 
1 1 1  -20    8    6 o   41.170   0.2533   40.980   0.3575   41.360   0.3589 -0.3811000 0.5066000 
1 1 1  -20    8    7 o   20.330   0.1614   20.680   0.2484   19.990   0.2060 0.6872000 0.3227000 
1 1 1  -20    8    8 o   61.850   0.3653   62.050   0.5187   61.640   0.5145 0.4145000 0.7306000 
1 1 1  -20    8    9 o   42.370   0.2932   42.370   0.3708   42.380   0.4542 -0.8293000E-02 0.5863000 
1 1 1  -20    8   10 o   32.510   0.2420   32.500   0.3064   32.510   0.3747 -0.5253000E-02 0.4840000 
1 1 1  -20    8   11 o   12.880   0.2264   13.390   0.3467   12.360   0.2912 1.033000 0.4528000 
1 1 1  -20    8   12 f   29.150   0.2315   29.020   0.3583   29.290   0.2934 -0.2733000 0.4631000 
1 1 1  -20    8   13 o   47.800   0.3285   47.700   0.5089   47.910   0.4156 -0.2171000 0.6570000 
1 1 1  -20    8   14 o   21.110   0.1992   21.020   0.2885   21.200   0.2747 -0.1847000 0.3983000 
1 1 1  -20    8   15 o   36.910   0.2767   37.390   0.4362   36.420   0.3406 0.9732000 0.5535000 
1 1 1  -20    8   16 o   24.170   0.2396   24.210   0.3825   24.120   0.2887 0.9099000E-01 0.4792000 
1 1 1  -20    8   17 o   20.130   0.2588   20.300   0.3708   19.960   0.3611 0.3334000 0.5176000 
1 1 1  -20    8   18 o   38.000   0.2538   38.390   0.3634   37.610   0.3545 0.7819000 0.5077000 
1 1 1  -20    8   19 f   34.040   0.2661   34.040   0.4151   34.040   0.3331 0.4963000E-02 0.5322000 
1 1 1  -20    8   20 o   3.4670   0.7261   3.1460   1.0820   3.7880   0.9679 -0.6416000 1.452000 
1 1 1  -20    8   21 f   10.160   0.2714   10.080   0.3692   10.240   0.3979 -0.1571000 0.5428000 
1 1 1  -20    8   22 o   9.8810   0.3367   10.020   0.4466   9.7460   0.5041 0.2690000 0.6734000 
1 1 1  -20    8   23 o   19.710   0.2043   19.730   0.2710   19.690   0.3059 0.4440000E-01 0.4087000 
1 1 1  -20    8   24 o   8.3380   0.4198   8.6310   0.4999   8.0440   0.6745 0.5865000 0.8396000 
1 1 1  -20    8   25 o   4.8980   0.7725   4.5570   0.8192   5.2390   1.3100 -0.6826000 1.545000 
1 1 1  -20    8   26 o   14.430   0.3200   14.230   0.3130   14.630   0.5583 -0.4072000 0.6401000 
1 1 1  -20    8   27 o   8.9550   0.3183   9.0570   0.4262   8.8540   0.4730 0.2026000 0.6367000 
1 1 1  -20    8   28 o   7.5560   0.3790   8.0440   0.4797   7.0690   0.5870 0.9744000 0.7581000 
1 1 1  -20    8   29 o   8.8070   0.3315   9.3760   0.4320   8.2380   0.5028 1.138000 0.6629000 
1 1 1  -20    8   30 o   7.0820   0.5183   7.2470   0.6373   6.9170   0.8176 0.3305000 1.037000 
1 1 1  -20    8   31 o   9.4120   0.3252   9.4250   0.4409   9.3990   0.4782 0.2554000E-01 0.6504000 
1 1 1  -20    8   32 o   1.6300   0.5644   1.7990   0.8635   1.4600   0.7270 0.3398000 1.129000 
1 1 1  -20    8   33 o   7.9050   0.4203   7.6580   0.5740   8.1530   0.6140 -0.4948000 0.8406000 
1 1 1  -20   10    1 o   19.580   0.1826   19.580   0.2607   19.590   0.2558 -0.1686000E-01 0.3652000 
1 1 1  -20   10    2 o   50.140   0.3039   50.080   0.4294   50.190   0.4301 -0.1180000 0.6077000 
1 1 1  -20   10    3 o   21.720   0.1829   22.230   0.2612   21.220   0.2562 1.013000 0.3659000 
1 1 1  -20   10    4 o   42.000   0.2617   42.310   0.3728   41.690   0.3674 0.6143000 0.5234000 
1 1 1  -20   10    5 o   16.050   0.1851   16.260   0.2631   15.840   0.2604 0.4151000 0.3701000 
1 1 1  -20   10    6 f   55.480   0.3728   54.680   0.4652   56.290   0.5827 -1.612000 0.7456000 
1 1 1  -20   10    7 o   36.980   0.2237   37.210   0.3401   36.750   0.2907 0.4590000 0.4474000 
1 1 1  -20   10    8 o   22.970   0.1911   22.750   0.2737   23.200   0.2669 -0.4478000 0.3823000 
1 1 1  -20   10    9 o   39.040   0.2816   39.060   0.4376   39.020   0.3545 0.3923000E-01 0.5631000 
1 1 1  -20   10   10 o   24.460   0.2233   24.490   0.3469   24.440   0.2811 0.4345000E-01 0.4465000 
1 1 1  -20   10   11 o   35.490   0.2656   35.830   0.4127   35.160   0.3343 0.6732000 0.5311000 
1 1 1  -20   10   12 o   21.340   0.1991   21.260   0.2828   21.420   0.2804 -0.1525000 0.3983000 
1 1 1  -20   10   13 o   57.010   0.3448   57.010   0.4882   57.020   0.4870 -0.2987000E-02 0.6896000 
1 1 1  -20   10   14 o   26.290   0.2110   26.290   0.2998   26.280   0.2968 0.4543000E-02 0.4219000 
1 1 1  -20   10   15 o   8.3450   0.4448   8.6710   0.6103   8.0190   0.6472 0.6517000 0.8896000 
1 1 1  -20   10   16 o   30.880   0.2284   30.930   0.3265   30.830   0.3196 0.1061000 0.4568000 
1 1 1  -20   10   17 o   7.8090   0.3899   7.2360   0.6092   8.3820   0.4868 -1.146000 0.7798000 
1 1 1  -20   10   18 o   13.250   0.2807   13.200   0.4401   13.290   0.3485 -0.8957000E-01 0.5614000 
1 1 1  -20   10   19 o   10.010   0.3140   10.490   0.4512   9.5270   0.4367 0.9637000 0.6279000 
1 1 1  -20   10   20 o   24.370   0.2195   24.490   0.3179   24.250   0.3027 0.2414000 0.4389000 
1 1 1  -20   10   21 o   7.1470   0.5432   6.5660   0.8902   7.7280   0.6229 -1.162000 1.086000 
1 1 1  -20   10   22 o   17.560   0.2245   17.850   0.3197   17.260   0.3153 0.5930000 0.4490000 
1 1 1  -20   10   23 o   11.960   0.3037   11.820   0.3910   12.110   0.4649 -0.2867000 0.6075000 
1 1 1  -20   10   24 f   22.920   0.2235   22.880   0.3165   22.970   0.3157 -0.9035000E-01 0.4470000 
1 1 1  -20   10   25 o   8.1980   0.3534   8.1030   0.4729   8.2920   0.5254 -0.1890000 0.7069000 
1 1 1  -20   10   26 o   12.320   0.3725   12.240   0.3469   12.410   0.6593 -0.1705000 0.7449000 
1 1 1  -20   10   27 o   10.020   0.4330   9.5190   0.4278   10.530   0.7529 -1.011000 0.8659000 
1 1 1  -20   10   28 o   9.0260   0.3337   9.0080   0.4536   9.0440   0.4895 -0.3649000E-01 0.6673000 
1 1 1  -20   10   29 o   8.7250   0.4265   8.9610   0.5322   8.4900   0.6666 0.4708000 0.8530000 
1 1 1  -20   10   30 o   10.780   0.3008   10.800   0.4047   10.750   0.4451 0.5021000E-01 0.6016000 
1 1 1  -20   10   31 o   3.2910   0.7985   3.7240   1.1190   2.8590   1.1400 0.8652000 1.597000 
1 1 1  -20   10   32 o   4.8450   0.7188   4.5190   0.9501   5.1700   1.0790 -0.6510000 1.438000 
1 1 1  -20   12    1 o   12.440   0.1967   12.560   0.2748   12.320   0.2816 0.2432000 0.3935000 
1 1 1  -20   12    2 f   55.700   0.2911   55.680   0.4115   55.710   0.4119 -0.2878000E-01 0.5822000 
1 1 1  -20   12    3 o   35.820   0.2056   35.670   0.2898   35.980   0.2917 -0.3124000 0.4112000 
1 1 1  -20   12    4 o   17.130   0.1974   17.800   0.2737   16.460   0.2845 1.337000 0.3948000 
1 1 1  -20   12    5 o   20.820   0.1700   20.940   0.2393   20.690   0.2417 0.2522000 0.3401000 
1 1 1  -20   12    6 o   67.590   0.3751   67.410   0.5663   67.770   0.4921 -0.3600000 0.7502000 
1 1 1  -20   12    7 o   18.050   0.2286   17.800   0.3582   18.290   0.2840 -0.4861000 0.4571000 
1 1 1  -20   12    8 o   19.940   0.2168   20.510   0.3570   19.370   0.2460 1.144000 0.4335000 
1 1 1  -20   12    9 o   66.720   0.4210   66.100   0.6845   67.340   0.4905 -1.241000 0.8420000 
1 1 1  -20   12   10 o   53.200   0.3050   53.420   0.4636   52.980   0.3965 0.4324000 0.6100000 
1 1 1  -20   12   11 o   50.090   0.3107   50.150   0.4404   50.040   0.4384 0.1063000 0.6214000 
1 1 1  -20   12   12 o   43.470   0.3426   43.310   0.4820   43.630   0.4870 -0.3224000 0.6852000 
1 1 1  -20   12   13 o   12.760   0.3325   12.870   0.4514   12.650   0.4884 0.2230000 0.6651000 
1 1 1  -20   12   14 f   23.730   0.2163   23.660   0.3053   23.790   0.3065 -0.1373000 0.4326000 
1 1 1  -20   12   15 o   23.520   0.2169   23.680   0.3079   23.350   0.3055 0.3272000 0.4338000 
1 1 1  -20   12   16 o   23.540   0.2645   23.840   0.3768   23.250   0.3714 0.5893000 0.5291000 
1 1 1  -20   12   17 o   13.170   0.2878   12.900   0.4540   13.440   0.3537 -0.5344000 0.5755000 
1 1 1  -20   12   18 o   2.7380   0.6986   1.9480   0.9003   3.5280   1.0690 -1.580000 1.397000 
1 1 1  -20   12   19 o   13.190   0.3206   13.020   0.4853   13.360   0.4191 -0.3396000 0.6412000 
1 1 1  -20   12   20 o   12.450   0.2773   11.720   0.4151   13.180   0.3679 -1.454000 0.5547000 
1 1 1  -20   12   21 o   15.620   0.2419   15.570   0.3490   15.660   0.3352 -0.9122000E-01 0.4839000 
1 1 1  -20   12   22 o   10.770   0.3352   10.750   0.4413   10.800   0.5048 -0.4807000E-01 0.6705000 
1 1 1  -20   12   23 o   11.820   0.2893   12.130   0.4105   11.510   0.4078 0.6228000 0.5786000 
1 1 1  -20   12   24 o   14.930   0.2527   14.780   0.3689   15.080   0.3455 -0.2979000 0.5054000 
1 1 1  -20   12   25 o   8.1980   0.3879   8.9800   0.5122   7.4160   0.5826 1.565000 0.7757000 
1 1 1  -20   12   26 o   2.2620   0.6893   1.9290   0.9018   2.5940   1.0430 -0.6649000 1.379000 
1 1 1  -20   12   27 o   3.3750   0.8473   3.8010   1.1020   2.9500   1.2880 0.8510000 1.695000 
1 1 1  -20   12   28 o   6.3170   0.7580   6.6350   0.8899   5.9990   1.2270 0.6356000 1.516000 
1 1 1  -20   12   29 o   7.2590   0.4206   7.2790   0.5673   7.2390   0.6211 0.4093000E-01 0.8412000 
1 1 1  -20   12   30 o   3.9330   0.7717   3.8890   1.1160   3.9770   1.0660 -0.8816000E-01 1.543000 
1 1 1  -20   12   31 o   1.8320   0.6262   1.8470   0.8847   1.8170   0.8865 0.2981000E-01 1.252000 
1 1 1  -20   14    1 o   39.080   0.2568   39.130   0.3628   39.040   0.3635 0.9428000E-01 0.5136000 
1 1 1  -20   14    2 o   29.230   0.2073   28.870   0.3139   29.590   0.2710 -0.7176000 0.4147000 
1 1 1  -20   14    3 o   47.030   0.2561   46.990   0.3618   47.060   0.3625 -0.6869000E-01 0.5122000 
1 1 1  -20   14    4 o   12.210   0.2394   11.800   0.3247   12.620   0.3520 -0.8171000 0.4789000 
1 1 1  -20   14    5 o   36.770   0.3543   37.660   0.6193   35.880   0.3444 1.784000 0.7086000 
1 1 1  -20   14    6 o   9.8510   0.4319   9.8850   0.7455   9.8170   0.4364 0.6808000E-01 0.8638000 
1 1 1  -20   14    7 o   26.940   0.3049  ?   ?    26.940   0.3049      ?      ? 
1 1 1  -20   14    8 o   30.080   0.2532   29.890   0.3911   30.280   0.3217 -0.3902000 0.5064000 
1 1 1  -20   14    9 f   17.350   0.2501   17.700   0.3847   17.000   0.3198 0.7031000 0.5002000 
1 1 1  -20   14   10 o   25.930   0.2053   26.210   0.3123   25.660   0.2666 0.5547000 0.4106000 
1 1 1  -20   14   11 o   16.030   0.2219   15.960   0.3365   16.100   0.2892 -0.1395000 0.4438000 
1 1 1  -20   14   12 o   29.890   0.2307   30.210   0.3288   29.570   0.3236 0.6344000 0.4613000 
1 1 1  -20   14   13 o   21.060   0.2215   21.080   0.3167   21.040   0.3098 0.4394000E-01 0.4430000 
1 1 1  -20   14   14 o   31.340   0.2645   31.250   0.4094   31.440   0.3348 -0.1974000 0.5289000 
1 1 1  -20   14   15 o   17.840   0.2576   18.060   0.3918   17.610   0.3345 0.4535000 0.5152000 
1 1 1  -20   14   16 o   22.560   0.2245   22.670   0.3175   22.460   0.3175 0.2008000 0.4490000 
1 1 1  -20   14   17 o   12.090   0.3527   12.140   0.5228   12.050   0.4735 0.9317000E-01 0.7053000 
1 1 1  -20   14   18 o   25.480   0.2269   25.490   0.3230   25.460   0.3188 0.3644000E-01 0.4538000 
1 1 1  -20   14   19 o   23.100   0.2239   23.030   0.3188   23.170   0.3146 -0.1342000 0.4479000 
1 1 1  -20   14   20 o   14.280   0.2560   14.160   0.3686   14.410   0.3554 -0.2447000 0.5120000 
1 1 1  -20   14   21 o   15.320   0.2762   15.380   0.3563   15.260   0.4220 0.1144000 0.5523000 
1 1 1  -20   14   22 o   2.5800   0.7369   2.7690   1.0740   2.3910   1.0100 0.3780000 1.474000 
1 1 1  -20   14   23 o   9.4970   0.3402   9.5860   0.4890   9.4080   0.4732 0.1779000 0.6804000 
1 1 1  -20   14   24 f   9.5730   0.3466   10.010   0.4843   9.1380   0.4959 0.8696000 0.6932000 
1 1 1  -20   14   25 f   9.8690   0.3403   9.6670   0.4956   10.070   0.4665 -0.4036000 0.6806000 
1 1 1  -20   14   26 o   7.6210   0.4282   7.8000   0.6072   7.4430   0.6039 0.3578000 0.8564000 
1 1 1  -20   14   27 o   2.9750   0.8441   2.8450   1.1760   3.1050   1.2120 -0.2597000 1.688000 
1 1 1  -20   14   28 f   5.5640   0.7238   6.5340   0.7557   4.5940   1.2350 1.940000 1.448000 
1 1 1  -20   14   29 o   3.0510   1.1950   3.0510   1.1950  ?   ?       ?      ? 
1 1 1  -20   14   30 f   2.2690   0.7221   2.9400   1.2030   1.5980   0.7994 1.342000 1.444000 
1 1 1  -20   16    1 o   43.330   0.2463   43.200   0.3478   43.450   0.3488 -0.2549000 0.4925000 
1 1 1  -20   16    2 o   23.730   0.2423   23.560   0.4011   23.900   0.2721 -0.3330000 0.4846000 
1 1 1  -20   16    3 f   15.920   0.2728   15.390   0.4552   16.460   0.3009 -1.074000 0.5457000 
1 1 1  -20   16    4 o   25.740   0.2424   25.670   0.3993   25.800   0.2748 -0.1307000 0.4847000 
1 1 1  -20   16    5 o   19.750   0.1945   19.700   0.2792   19.800   0.2708 -0.9915000E-01 0.3890000 
1 1 1  -20   16    6 o   40.760   0.2348   41.070   0.3343   40.440   0.3298 0.6254000 0.4696000 
1 1 1  -20   16    7 o   11.290   0.2848   11.090   0.4408   11.490   0.3609 -0.3933000 0.5697000 
1 1 1  -20   16    8 o   15.570   0.2331   15.640   0.3533   15.500   0.3042 0.1447000 0.4662000 
1 1 1  -20   16    9 o   14.090   0.2490   14.330   0.3800   13.850   0.3218 0.4888000 0.4980000 
1 1 1  -20   16   10 o   17.340   0.2663   17.340   0.4128   17.340   0.3365 -0.6348000E-02 0.5326000 
1 1 1  -20   16   11 o   13.580   0.2951   13.420   0.4548   13.740   0.3762 -0.3265000 0.5903000 
1 1 1  -20   16   12 f   33.510   0.2756   33.620   0.4287   33.400   0.3466 0.2263000 0.5513000 
1 1 1  -20   16   13 o   20.220   0.2579   19.990   0.4054   20.450   0.3190 -0.4620000 0.5158000 
1 1 1  -20   16   14 o   11.300   0.3804   11.780   0.5372   10.820   0.5387 0.9557000 0.7608000 
1 1 1  -20   16   15 o   2.2940   0.7063   2.1150   0.9550   2.4730   1.0410 -0.3580000 1.413000 
1 1 1  -20   16   16 o   7.9140   0.4120   7.2650   0.6362   8.5630   0.5235 -1.299000 0.8239000 
1 1 1  -20   16   17 o   5.7770   0.5506   5.5270   0.8045   6.0270   0.7520 -0.5003000 1.101000 
1 1 1  -20   16   18 o   8.9780   0.3554   8.7610   0.5109   9.1950   0.4942 -0.4332000 0.7108000 
1 1 1  -20   16   19 o   10.760   0.3491   11.000   0.4362   10.510   0.5452 0.4948000 0.6983000 
1 1 1  -20   16   20 o   18.160   0.2406   18.120   0.3386   18.200   0.3419 -0.7765000E-01 0.4812000 
1 1 1  -20   16   21 o   8.0950   0.3905   7.9420   0.5763   8.2480   0.5270 -0.3058000 0.7809000 
1 1 1  -20   16   22 o   3.9320   0.7444   3.7880   1.0880   4.0760   1.0160 -0.2882000 1.489000 
1 1 1  -20   16   23 o   16.750   0.2495   16.870   0.3491   16.630   0.3565 0.2413000 0.4990000 
1 1 1  -20   16   24 o   5.0410   0.6639   6.3820   0.7403   3.6990   1.1020 2.683000 1.328000 
1 1 1  -20   16   25 o   11.120   0.4032   11.300   0.5573   10.940   0.5828 0.3601000 0.8064000 
1 1 1  -20   16   26 o   2.4220   0.7279   2.6900   1.0930   2.1550   0.9614 0.5351000 1.456000 
1 1 1  -20   16   27 o   7.0610   0.5815   8.5370   0.5698   5.5850   1.0140 2.952000 1.163000 
1 1 1  -20   16   28 o   4.5810   0.7858   5.8200   1.0070   3.3420   1.2070 2.478000 1.572000 
1 1 1  -20   16   29 o   9.5280   0.4534   10.100   0.5316   8.9550   0.7346 1.147000 0.9068000 
1 1 1  -20   18    1 o   10.640   0.3677   10.340   0.6186   10.940   0.3976 -0.6046000 0.7353000 
1 1 1  -20   18    2 o   8.9040   0.3273   8.3060   0.4915   9.5030   0.4325 -1.197000 0.6547000 
1 1 1  -20   18    3 o   25.700   0.2153   26.130   0.3263   25.280   0.2810 0.8536000 0.4306000 
1 1 1  -20   18    4 o   14.900   0.2455   14.670   0.3703   15.140   0.3225 -0.4664000 0.4911000 
1 1 1  -20   18    5 o   6.4050   0.4892   5.7320   0.7950   7.0780   0.5703 -1.346000 0.9784000 
1 1 1  -20   18    6 o   20.630   0.2002   20.300   0.2808   20.960   0.2853 -0.6686000 0.4003000 
1 1 1  -20   18    7 o   3.7210   0.8242   3.4670   1.2490   3.9750   1.0760 -0.5080000 1.648000 
1 1 1  -20   18    8 o   6.9860   0.5234   7.3470   0.7987   6.6250   0.6766 0.7219000 1.047000 
1 1 1  -20   18    9 o   18.380   0.2726   18.510   0.4293   18.250   0.3361 0.2586000 0.5453000 
1 1 1  -20   18   10 o   7.9720   0.4877   7.8960   0.7922   8.0480   0.5691 -0.1515000 0.9754000 
1 1 1  -20   18   11 o   9.8740   0.3219   9.8000   0.4913   9.9480   0.4159 -0.1474000 0.6437000 
1 1 1  -20   18   12 o   7.6990   0.4004   6.9390   0.6533   8.4600   0.4631 -1.521000 0.8008000 
1 1 1  -20   18   13 o   12.910   0.2639   12.610   0.4095   13.220   0.3331 -0.6110000 0.5279000 
1 1 1  -20   18   14 o   20.620   0.2167   20.540   0.3267   20.700   0.2848 -0.1621000 0.4334000 
1 1 1  -20   18   15 o   15.000   0.2600   15.170   0.3636   14.830   0.3716 0.3447000 0.5199000 
1 1 1  -20   18   16 o   9.5080   0.3897   9.8270   0.4801   9.1890   0.6139 0.6376000 0.7793000 
1 1 1  -20   18   17 o   4.2280   0.7304   5.0660   0.8741   3.3900   1.1700 1.676000 1.461000 
1 1 1  -20   18   18 o   13.850   0.2721   13.710   0.3891   14.000   0.3804 -0.2909000 0.5441000 
1 1 1  -20   18   19 o   4.3900   0.7114   4.7040   0.9541   4.0770   1.0560 0.6278000 1.423000 
1 1 1  -20   18   20 f   7.1650   0.4554   6.6770   0.6853   7.6520   0.5999 -0.9748000 0.9108000 
1 1 1  -20   18   21 o   6.6910   0.4950   6.7290   0.6771   6.6530   0.7223 0.7672000E-01 0.9900000 
1 1 1  -20   18   22 o   15.180   0.2676   15.220   0.3715   15.150   0.3852 0.7190000E-01 0.5352000 
1 1 1  -20   18   23 f   2.5730   0.7940   2.2960   1.0490   2.8490   1.1920 -0.5531000 1.588000 
1 1 1  -20   18   24 o   6.4150   0.5227   5.7770   0.8155   7.0520   0.6542 -1.275000 1.045000 
1 1 1  -20   18   25 o   8.0450   0.4684   8.2320   0.5736   7.8590   0.7406 0.3726000 0.9368000 
1 1 1  -20   18   26 o   2.7380   0.7975   2.5510   1.0660   2.9240   1.1860 -0.3731000 1.595000 
1 1 1  -20   18   27 o   2.1390   0.7010   2.3870   1.0810   1.8900   0.8926 0.4970000 1.402000 
1 1 1  -20   20    1 o   6.7220   0.4279   6.7070   0.5910   6.7380   0.6191 -0.3055000E-01 0.8559000 
1 1 1  -20   20    2 o  10.0000   0.3053   10.360   0.4130   9.6530   0.4496 0.7027000 0.6105000 
1 1 1  -20   20    3 o   2.6460   0.7185   2.9640   1.0490   2.3280   0.9818 0.6361000 1.437000 
1 1 1  -20   20    4 o   14.250   0.2375   14.330   0.3334   14.170   0.3384 0.1638000 0.4751000 
1 1 1  -20   20    5 o   7.1970   0.3917   7.1400   0.5506   7.2540   0.5574 -0.1142000 0.7834000 
1 1 1  -20   20    6 o   6.9900   0.4102   6.8590   0.5857   7.1220   0.5744 -0.2629000 0.8203000 
1 1 1  -20   20    7 o   10.370   0.3167   10.720   0.4677   10.020   0.4273 0.7051000 0.6335000 
1 1 1  -20   20    8 o   14.530   0.2508   14.430   0.3795   14.630   0.3282 -0.2051000 0.5017000 
1 1 1  -20   20    9 o   7.6200   0.4137   7.7750   0.6246   7.4650   0.5426 0.3094000 0.8274000 
1 1 1  -20   20   10 o   10.840   0.3085   10.370   0.4876   11.320   0.3780 -0.9565000 0.6170000 
1 1 1  -20   20   11 o   17.030   0.2354   17.140   0.3607   16.920   0.3027 0.2247000 0.4709000 
1 1 1  -20   20   12 o   19.060   0.2388   19.020   0.3384   19.100   0.3371 -0.8431000E-01 0.4777000 
1 1 1  -20   20   13 o   16.120   0.2540   16.130   0.3595   16.110   0.3590 0.1164000E-01 0.5080000 
1 1 1  -20   20   14 o   1.7390   0.5854   1.7050   0.8233   1.7740   0.8323 -0.6875000E-01 1.171000 
1 1 1  -20   20   15 o   10.610   0.3062   10.310   0.4705   10.920   0.3921 -0.6044000 0.6124000 
1 1 1  -20   20   16 o   7.9890   0.3882   8.2090   0.5721   7.7700   0.5250 0.4397000 0.7765000 
1 1 1  -20   20   17 o   10.570   0.3404   10.210   0.4881   10.930   0.4745 -0.7188000 0.6808000 
1 1 1  -20   20   18 o   2.6660   0.7624   2.5860   1.0540   2.7450   1.1020 -0.1590000 1.525000 
1 1 1  -20   20   19 o   2.6270   0.7464   2.9440   1.0970   2.3110   1.0120 0.6323000 1.493000 
1 1 1  -20   20   20 o   4.1610   0.8048   5.2930   1.0310   3.0290   1.2360 2.265000 1.610000 
1 1 1  -20   20   21 o   5.6860   0.7668   5.8580   0.9862   5.5150   1.1740 0.3433000 1.534000 
1 1 1  -20   20   22 o   3.2970   0.8029   3.1370   1.1290   3.4570   1.1420 -0.3202000 1.606000 
1 1 1  -20   20   23 o   4.5710   0.8045   4.5310   1.0690   4.6100   1.2030 -0.7884000E-01 1.609000 
1 1 1  -20   20   24 o   2.9540   0.8230   3.1400   1.1300   2.7680   1.1970 0.3712000 1.646000 
1 1 1  -20   20   25 o   2.2380   0.6957   1.6480   0.8207   2.8280   1.1240 -1.179000 1.391000 
1 1 1  -20   20   26 o   6.0600   0.7483   5.8370   1.1440   6.2830   0.9651 -0.4454000 1.497000 
1 1 1  -20   22    1 o   8.5310   0.3544   8.1560   0.5114   8.9050   0.4908 -0.7492000 0.7088000 
1 1 1  -20   22    2 o   11.000   0.3333   10.380   0.4880   11.620   0.4542 -1.236000 0.6666000 
1 1 1  -20   22    3 o   8.2730   0.4158   8.6360   0.5592   7.9100   0.6156 0.7260000 0.8317000 
1 1 1  -20   22    4 o   6.3540   0.5296   6.5890   0.7164   6.1190   0.7802 0.4701000 1.059000 
1 1 1  -20   22    5 o   9.3560   0.3746   8.8330   0.5568   9.8790   0.5014 -1.046000 0.7492000 
1 1 1  -20   22    6 o   8.2940   0.4053   8.1030   0.5847   8.4840   0.5614 -0.3802000 0.8106000 
1 1 1  -20   22    7 o   8.8670   0.3587   9.0380   0.5262   8.6950   0.4876 0.3427000 0.7174000 
1 1 1  -20   22    8 o   4.4310   0.6788   5.1540   0.9021   3.7080   1.0150 1.446000 1.358000 
1 1 1  -20   22    9 o   16.020   0.2483   16.170   0.3764   15.870   0.3238 0.2998000 0.4965000 
1 1 1  -20   22   10 o   11.670   0.2945   11.840   0.4490   11.510   0.3811 0.3393000 0.5890000 
1 1 1  -20   22   11 f   8.1490   0.3989   7.4870   0.6494   8.8110   0.4634 -1.324000 0.7978000 
1 1 1  -20   22   12 o   8.8030   0.3586   8.7020   0.5449   8.9040   0.4665 -0.2029000 0.7173000 
1 1 1  -20   22   13 o   3.7220   0.7112   2.9980   1.1080   4.4450   0.8922 -1.446000 1.422000 
1 1 1  -20   22   14 o   6.9150   0.4425   7.6330   0.6126   6.1970   0.6388 1.436000 0.8851000 
1 1 1  -20   22   15 o   7.7880   0.3926   7.6680   0.5890   7.9070   0.5194 -0.2385000 0.7853000 
1 1 1  -20   22   16 o   5.6870   0.5544   5.6270   0.8516   5.7460   0.7102 -0.1192000 1.109000 
1 1 1  -20   22   17 o   3.2140   0.8297   3.6150   1.2240   2.8130   1.1200 0.8019000 1.659000 
1 1 1  -20   22   18 o   4.4370   0.8032   4.0550   1.2120   4.8200   1.0550 -0.7651000 1.606000 
1 1 1  -20   22   19 o   8.8170   0.3968   8.3710   0.5748   9.2630   0.5471 -0.8924000 0.7935000 
1 1 1  -20   22   20 o   4.7870   0.6958   4.7790   0.9787   4.7940   0.9892 -0.1429000E-01 1.392000 
1 1 1  -20   22   21 o   2.7210   0.7858   2.8570   1.1070   2.5850   1.1160 0.2718000 1.572000 
1 1 1  -20   22   22 o   2.7190   0.7989   2.4970   1.0640   2.9400   1.1920 -0.4425000 1.598000 
1 1 1  -20   22   23 o   5.5020   0.7152   6.4870   0.9627   4.5170   1.0580 1.971000 1.430000 
1 1 1  -20   22   24 o   2.7790   0.8690   2.0420   0.9902   3.5160   1.4280 -1.473000 1.738000 
1 1 1  -20   24    1 o   5.0090   0.5887   4.7120   0.8739   5.3060   0.7891 -0.5934000 1.177000 
1 1 1  -20   24    2 o   10.330   0.2975   10.470   0.4090   10.190   0.4322 0.2785000 0.5950000 
1 1 1  -20   24    3 o   2.9980   0.7247   2.4710   1.0010   3.5240   1.0490 -1.053000 1.449000 
1 1 1  -20   24    4 o   12.610   0.2612   12.650   0.3630   12.580   0.3756 0.7384000E-01 0.5224000 
1 1 1  -20   24    5 o   11.190   0.2796   11.240   0.3897   11.140   0.4010 0.1004000 0.5592000 
1 1 1  -20   24    6 o   8.4100   0.3485   8.4220   0.4869   8.3990   0.4988 0.2208000E-01 0.6971000 
1 1 1  -20   24    7 o   8.2400   0.3869   7.8550   0.6010   8.6250   0.4876 -0.7692000 0.7739000 
1 1 1  -20   24    8 f   2.8310   0.7495   2.6010   1.0720   3.0600   1.0470 -0.4588000 1.499000 
1 1 1  -20   24    9 o   7.0870   0.4455   6.8840   0.6961   7.2890   0.5562 -0.4049000 0.8910000 
1 1 1  -20   24   10 o   8.6490   0.3737   8.7020   0.5704   8.5960   0.4832 0.1060000 0.7475000 
1 1 1  -20   24   11 f   2.5380   0.7055   2.0690   0.9565   3.0060   1.0370 -0.9369000 1.411000 
1 1 1  -20   24   12 o   4.8500   0.7603   4.6640   1.1780   5.0360   0.9611 -0.3724000 1.521000 
1 1 1  -20   24   13 o   4.2610   0.8123   4.0710   1.2210   4.4520   1.0710 -0.3814000 1.625000 
1 1 1  -20   24   14 o   9.6940   0.3702   9.7740   0.5112   9.6140   0.5357 0.1600000 0.7405000 
1 1 1  -20   24   15 o   5.0490   0.6242   5.1430   0.9228   4.9550   0.8408 0.1879000 1.248000 
1 1 1  -20   24   16 o   2.7940   0.7396   2.4290   1.0380   3.1590   1.0540 -0.7304000 1.479000 
1 1 1  -20   24   17 o   2.4500   0.7081   2.0800   0.9528   2.8200   1.0480 -0.7398000 1.416000 
1 1 1  -20   24   18 o   3.4680   0.7503   4.3210   1.0750   2.6150   1.0470 1.706000 1.501000 
1 1 1  -20   24   19 o   3.4240   0.8172   2.6640   1.0870   4.1850   1.2200 -1.521000 1.634000 
1 1 1  -20   24   20 o   7.8360   0.5449   8.1520   0.7431   7.5210   0.7970 0.6313000 1.090000 
1 1 1  -20   24   21 o   3.9620   0.8828   3.9240   1.3280   4.0000   1.1630 -0.7670000E-01 1.766000 
1 1 1  -20   26    1 o   2.8120   0.7423   3.5680   1.1420   2.0570   0.9487 1.511000 1.485000 
1 1 1  -20   26    2 o   7.0070   0.4845   7.0340   0.6893   6.9800   0.6811 0.5387000E-01 0.9690000 
1 1 1  -20   26    3 o   3.8060   0.7827   4.3350   1.0810   3.2770   1.1320 1.058000 1.565000 
1 1 1  -20   26    4 o   2.7270   0.7605   3.0970   1.1210   2.3570   1.0280 0.7397000 1.521000 
1 1 1  -20   26    5 o   4.8300   0.6951   4.5840   1.0220   5.0760   0.9430 -0.4919000 1.390000 
1 1 1  -20   26    6 o   5.0600   0.6388   6.2190   0.7838   3.9010   1.0090 2.318000 1.278000 
1 1 1  -20   26    7 o   4.3770   0.7069   4.3730   1.0660   4.3810   0.9289 -0.8315000E-02 1.414000 
1 1 1  -20   26    8 o   2.3000   0.7031   2.2780   1.0100   2.3220   0.9780 -0.4412000E-01 1.406000 
1 1 1  -20   26    9 o   2.2700   0.6996   2.1650   0.9857   2.3740   0.9931 -0.2091000 1.399000 
1 1 1  -20   26   10 o   4.2220   0.6971   3.0990   1.1580   5.3450   0.7768 -2.247000 1.394000 
1 1 1  -20   26   11 o   5.0100   0.6737   3.8850   1.1580   6.1350   0.6893 -2.249000 1.347000 
1 1 1  -20   26   12 o   3.7860   0.7690   4.0660   1.1290   3.5070   1.0450 0.5586000 1.538000 
1 1 1  -20   26   13 o   3.0560   0.6535   1.8820   0.8912   4.2290   0.9561 -2.347000 1.307000 
1 1 1  -20   26   14 o   5.2410   0.6364   5.2250   0.9655   5.2570   0.8293 -0.3140000E-01 1.273000 
1 1 1  -20   26   15 o   2.1370   0.6872   1.8560   0.8881   2.4180   1.0490 -0.5617000 1.374000 
1 1 1  -20   26   16 o   2.7580   0.8254   3.0610   1.2250   2.4540   1.1070 0.6064000 1.651000 
1 1 1  -20   26   17 o   2.3860   0.8135   2.6150   1.2390   2.1570   1.0550 0.4581000 1.627000 
1 1 1  -20   26   18 o   3.7420   0.9350   3.5610   1.3070   3.9230   1.3370 -0.3620000 1.870000 
1 1 1  -20   28    1 o   8.3030   0.4604   8.0990   0.6654   8.5080   0.6365 -0.4092000 0.9208000 
1 1 1  -20   28    2 o   3.4840   0.7586   2.3380   1.0440   4.6300   1.1010 -2.292000 1.517000 
1 1 1  -20   28    3 o   2.0860   0.6769   2.0760   0.9405   2.0970   0.9738 -0.2102000E-01 1.354000 
1 1 1  -20   28    4 o   2.8510   0.7696   3.2100   1.1010   2.4920   1.0750 0.7180000 1.539000 
1 1 1  -20   28    5 o   2.1450   0.6883   2.1550   0.9640   2.1340   0.9826 0.2061000E-01 1.377000 
1 1 1  -20   28    6 o   4.7650   0.7629   4.4650   1.1380   5.0660   1.0170 -0.6017000 1.526000 
1 1 1  -20   28    7 o   6.4120   0.6682   7.0890   0.9470   5.7360   0.9431 1.353000 1.336000 
1 1 1  -20   28    8 o   7.0340   0.6037   7.0060   0.9447   7.0620   0.7519 -0.5560000E-01 1.207000 
1 1 1  -20   28    9 o   6.1050   0.7261   5.7640   1.2080   6.4470   0.8054 -0.6828000 1.452000 
1 1 1  -20   28   10 o   4.3030   0.8656   3.7720   1.3700   4.8340   1.0580 -1.062000 1.731000 
1 1 1  -20   28   11 o   2.5820   0.8325   2.2400   1.1200   2.9240   1.2320 -0.6837000 1.665000 
1 1 1  -20   28   12 o   2.5900   0.7966   2.7200   1.1910   2.4610   1.0580 0.2583000 1.593000 
1 1 1  -20   28   13 o   2.4230   0.7393   1.9820   0.9590   2.8640   1.1250 -0.8817000 1.479000 
1 1 1  -20   28   14 o   2.3970   0.8133   2.3550   1.1420   2.4380   1.1580 -0.8288000E-01 1.627000 
1 1 1  -20   30    1 o   1.7850   0.6016   1.9180   0.8970   1.6510   0.8018 0.2672000 1.203000 
1 1 1  -20   30    2 o   3.3880   0.6879   2.2420   0.9893   4.5350   0.9562 -2.292000 1.376000 
1 1 1  -20   30    3 o   3.4990   0.7162   4.5080   1.0030   2.4910   1.0220 2.017000 1.432000 
1 1 1  -20   30    4 o   7.0160   0.4566   6.8080   0.6747   7.2240   0.6153 -0.4163000 0.9131000 
1 1 1  -20   30    5 o   4.2630   0.7120   3.4500   1.1310   5.0760   0.8658 -1.626000 1.424000 
1 1 1  -20   30    6 o   2.4810   1.2030  ?   ?    2.4810   1.2030      ?      ? 
1 1 1  -19    1    1 o   26.550   0.1801   26.410   0.2786   26.680   0.2283 -0.2714000 0.3602000 
1 1 1  -19    1    2 o   19.890   0.1767  ?   ?    19.890   0.1767      ?      ? 
1 1 1  -19    1    3 o   47.630   0.3388   48.170   0.4844   47.080   0.4738 1.086000 0.6776000 
1 1 1  -19    1    4 o   53.940   0.3498   54.040   0.5416   53.840   0.4428 0.1962000 0.6996000 
1 1 1  -19    1    5 o   38.440   0.2101   38.560   0.3188   38.310   0.2738 0.2429000 0.4202000 
1 1 1  -19    1    6 o   23.340   0.1445   23.620   0.2065   23.060   0.2021 0.5638000 0.2889000 
1 1 1  -19    1    7 o   11.110   0.2029  ?   ?    11.110   0.2029      ?      ? 
1 1 1  -19    1    8 o   20.750   0.1403   20.710   0.1972   20.780   0.1998 -0.7038000E-01 0.2807000 
1 1 1  -19    1    9 o   3.8330   0.2682   3.9510   0.3683   3.7160   0.3900 0.2350000 0.5364000 
1 1 1  -19    1   10 o   9.1120   0.1412   9.2020   0.1979   9.0230   0.2013 0.1795000 0.2823000 
1 1 1  -19    1   11 o   31.320   0.1704   31.290   0.2408   31.360   0.2412 -0.7013000E-01 0.3408000 
1 1 1  -19    1   12 o   15.690   0.1867   15.640   0.2656   15.740   0.2625 -0.9668000E-01 0.3735000 
1 1 1  -19    1   13 o   45.000   0.2345   44.870   0.3309   45.120   0.3324 -0.2460000 0.4690000 
1 1 1  -19    1   14 o   30.010   0.1862   30.180   0.2445   29.840   0.2808 0.3408000 0.3724000 
1 1 1  -19    1   15 o   28.120   0.1957   27.740   0.2752   28.500   0.2785 -0.7548000 0.3915000 
1 1 1  -19    1   16 o   16.440   0.2281   16.580   0.3206   16.310   0.3246 0.2635000 0.4563000 
1 1 1  -19    1   17 o   38.300   0.2120   38.290   0.2999   38.310   0.2997 -0.1743000E-01 0.4240000 
1 1 1  -19    1   18 o   73.620   0.3749   73.990   0.5327   73.250   0.5276 0.7334000 0.7498000 
1 1 1  -19    1   19 o   31.020   0.1907   30.780   0.2692   31.250   0.2703 -0.4704000 0.3815000 
1 1 1  -19    1   20 o   12.230   0.3537   12.200   0.5659   12.270   0.4243 -0.7047000E-01 0.7073000 
1 1 1  -19    1   21 o   19.240   0.3598   19.240   0.3598  ?   ?       ?      ? 
1 1 1  -19    1   22 o   20.330   0.2204   20.270   0.2598   20.400   0.3561 -0.1324000 0.4408000 
1 1 1  -19    1   23 o   13.820   0.2523   13.850   0.2930   13.790   0.4107 0.6230000E-01 0.5045000 
1 1 1  -19    1   24 o   16.390   0.1934   16.350   0.2738   16.420   0.2731 -0.7147000E-01 0.3867000 
1 1 1  -19    1   25 o   12.250   0.3867   12.230   0.4596   12.280   0.6220 -0.5632000E-01 0.7734000 
1 1 1  -19    1   26 o   15.320   0.2191   15.380   0.2875   15.260   0.3307 0.1157000 0.4382000 
1 1 1  -19    1   27 o   7.6610   0.3489   7.7800   0.4565   7.5420   0.5278 0.2377000 0.6978000 
1 1 1  -19    1   28 o   11.700   0.2614   11.970   0.3422   11.430   0.3952 0.5443000 0.5228000 
1 1 1  -19    1   29 o   10.010   0.2961   10.040   0.3875   9.9840   0.4478 0.5660000E-01 0.5922000 
1 1 1  -19    1   30 o   2.7140   0.7197   2.8790   1.0180   2.5480   1.0180 0.3315000 1.439000 
1 1 1  -19    1   31 o   8.7800   0.3424   9.0370   0.4503   8.5240   0.5160 0.5130000 0.6848000 
1 1 1  -19    1   32 o   7.8700   0.5109   7.6070   0.7707   8.1330   0.6708 -0.5262000 1.022000 
1 1 1  -19    1   33 o   7.5550   0.4172   8.6090   0.4764   6.5000   0.6851 2.109000 0.8345000 
1 1 1  -19    1   34 o   2.7760   0.7380   2.9970   1.0360   2.5550   1.0520 0.4421000 1.476000 
1 1 1  -19    3    1 o   17.950   0.1181   17.990   0.1765   17.920   0.1569 0.7094000E-01 0.2361000 
1 1 1  -19    3    2 o   15.950   0.1141   15.810   0.1608   16.090   0.1620 -0.2876000 0.2282000 
1 1 1  -19    3    3 o   38.020   0.2514   38.600   0.3945   37.450   0.3117 1.151000 0.5028000 
1 1 1  -19    3    4 o   9.3060   0.1498   9.2890   0.2515   9.3220   0.1629 -0.3325000E-01 0.2996000 
1 1 1  -19    3    5 o   46.610   0.2730   46.670   0.3865   46.540   0.3858 0.1249000 0.5461000 
1 1 1  -19    3    6 o   38.850   0.2310   38.890   0.3273   38.810   0.3260 0.7751000E-01 0.4619000 
1 1 1  -19    3    7 o   21.950   0.1670   21.560   0.2577   22.330   0.2125 -0.7692000 0.3340000 
1 1 1  -19    3    8 o   24.590   0.1514   24.490   0.1972   24.690   0.2297 -0.2005000 0.3027000 
1 1 1  -19    3    9 o   16.660   0.1312   16.590   0.1710   16.730   0.1992 -0.1442000 0.2625000 
1 1 1  -19    3   10 o   28.770   0.1734   28.750   0.2270   28.790   0.2621 -0.4144000E-01 0.3468000 
1 1 1  -19    3   11 o   38.020   0.2598   37.800   0.3269   38.240   0.4039 -0.4357000 0.5196000 
1 1 1  -19    3   12 o   22.290   0.1875   22.230   0.2369   22.350   0.2906 -0.1234000 0.3749000 
1 1 1  -19    3   13 o   37.040   0.2165   36.970   0.2824   37.100   0.3281 -0.1396000 0.4329000 
1 1 1  -19    3   14 o   53.230   0.3175   53.480   0.4504   52.980   0.4476 0.4969000 0.6349000 
1 1 1  -19    3   15 o   23.950   0.1735   23.960   0.2277   23.940   0.2618 0.1987000E-01 0.3470000 
1 1 1  -19    3   16 o   52.110   0.2939   52.250   0.3858   51.970   0.4433 0.2802000 0.5877000 
1 1 1  -19    3   17 o   52.970   0.2992   53.170   0.3933   52.760   0.4510 0.4135000 0.5984000 
1 1 1  -19    3   18 o   20.490   0.2170   20.490   0.3349   20.490   0.2761 0.1791000E-02 0.4340000 
1 1 1  -19    3   19 o   12.980   0.2601   12.940   0.4065   13.010   0.3248 -0.7505000E-01 0.5203000 
1 1 1  -19    3   20 o   42.650   0.4063   42.060   0.6590   43.250   0.4756 -1.187000 0.8127000 
1 1 1  -19    3   21 o   4.2620   0.6409   4.5500   0.8794   3.9740   0.9326 0.5754000 1.282000 
1 1 1  -19    3   22 o   25.870   0.1987   25.930   0.2628   25.810   0.2982 0.1182000 0.3975000 
1 1 1  -19    3   23 o   32.110   0.3143   32.380   0.2864   31.840   0.5595 0.5410000 0.6286000 
1 1 1  -19    3   24 o   13.780   0.3265   13.790   0.3575   13.770   0.5464 0.1835000E-01 0.6530000 
1 1 1  -19    3   25 o   4.1870   0.7279   4.7690   0.8209   3.6050   1.2020 1.163000 1.456000 
1 1 1  -19    3   26 o   14.880   0.2202   14.420   0.2934   15.340   0.3284 -0.9211000 0.4404000 
1 1 1  -19    3   27 o   14.710   0.2237   14.720   0.2953   14.690   0.3360 0.2905000E-01 0.4473000 
1 1 1  -19    3   28 o   9.1680   0.3134   8.7350   0.4376   9.6000   0.4486 -0.8641000 0.6267000 
1 1 1  -19    3   29 o   14.430   0.2350   14.280   0.3167   14.570   0.3472 -0.2960000 0.4699000 
1 1 1  -19    3   30 o   12.120   0.2645   12.240   0.3547   11.990   0.3924 0.2446000 0.5290000 
1 1 1  -19    3   31 o   4.0600   0.6911   4.1650   0.9317   3.9550   1.0210 0.2096000 1.382000 
1 1 1  -19    3   32 o   3.7520   0.8393   3.0570   1.2000   4.4470   1.1740 -1.391000 1.679000 
1 1 1  -19    3   33 o   7.2470   0.4297   7.7270   0.5402   6.7670   0.6684 0.9603000 0.8594000 
1 1 1  -19    3   34 o   4.7140   0.6589   5.2980   0.7827   4.1300   1.0600 1.168000 1.318000 
1 1 1  -19    5    1 o   19.400   0.1646   19.620   0.2535   19.180   0.2101 0.4334000 0.3293000 
1 1 1  -19    5    2 o   24.250   0.1642   24.230   0.2314   24.280   0.2331 -0.4741000E-01 0.3284000 
1 1 1  -19    5    3 o   8.8540   0.1870   9.2420   0.2286   8.4660   0.2959 0.7761000 0.3739000 
1 1 1  -19    5    4 o   28.180   0.2038   28.110   0.3172   28.260   0.2560 -0.1553000 0.4076000 
1 1 1  -19    5    5 o   21.530   0.1751   21.790   0.2751   21.260   0.2168 0.5375000 0.3502000 
1 1 1  -19    5    6 o   27.990   0.2047   28.140   0.3191   27.850   0.2563 0.2905000 0.4093000 
1 1 1  -19    5    7 o   17.340   0.1484   17.690   0.2121   16.990   0.2077 0.7025000 0.2969000 
1 1 1  -19    5    8 o   35.940   0.2221   36.010   0.3154   35.860   0.3129 0.1484000 0.4443000 
1 1 1  -19    5    9 o   50.140   0.3649   49.960   0.5150   50.320   0.5170 -0.3611000 0.7298000 
1 1 1  -19    5   10 o   27.770   0.1873   27.610   0.2656   27.930   0.2641 -0.3213000 0.3745000 
1 1 1  -19    5   11 f   43.720   0.2659   43.790   0.3763   43.650   0.3756 0.1479000 0.5317000 
1 1 1  -19    5   12 o   60.050   0.3970   59.810   0.4994   60.290   0.6174 -0.4768000 0.7941000 
1 1 1  -19    5   13 o   24.590   0.1846   24.950   0.2643   24.230   0.2578 0.7192000 0.3692000 
1 1 1  -19    5   14 o   13.670   0.1845   13.710   0.2482   13.630   0.2730 0.7824000E-01 0.3689000 
1 1 1  -19    5   15 o   41.600   0.2436   41.640   0.3195   41.550   0.3679 0.9277000E-01 0.4872000 
1 1 1  -19    5   16 o   18.540   0.1898   18.410   0.2656   18.680   0.2713 -0.2702000 0.3797000 
1 1 1  -19    5   17 o   32.560   0.2734   32.340   0.3843   32.780   0.3890 -0.4373000 0.5469000 
1 1 1  -19    5   18 o   24.230   0.2266   24.440   0.3529   24.020   0.2845 0.4199000 0.4533000 
1 1 1  -19    5   19 o   3.3550   0.7468   3.8140   0.9977   2.8960   1.1120 0.9173000 1.494000 
1 1 1  -19    5   20 o   43.010   0.2740   43.090   0.3882   42.940   0.3867 0.1443000 0.5480000 
1 1 1  -19    5   21 o   11.550   0.2438   11.570   0.3321   11.530   0.3571 0.3337000E-01 0.4876000 
1 1 1  -19    5   22 f   10.590   0.2617   10.690   0.3592   10.490   0.3806 0.1963000 0.5233000 
1 1 1  -19    5   23 f   11.600   0.2503   11.580   0.3433   11.610   0.3644 -0.3704000E-01 0.5006000 
1 1 1  -19    5   24 o   4.7670   0.7481   5.8730   0.7159   3.6600   1.3140 2.213000 1.496000 
1 1 1  -19    5   25 o   3.0170   1.0590   3.0170   1.0590  ?   ?       ?      ? 
1 1 1  -19    5   26 o   9.4870   0.3378   9.8750   0.3875   9.0980   0.5534 0.7768000 0.6756000 
1 1 1  -19    5   27 o   8.8730   0.3168   8.5200   0.4384   9.2260   0.4574 -0.7063000 0.6336000 
1 1 1  -19    5   28 o   4.7360   0.5997   3.7110   0.9666   5.7620   0.7102 -2.051000 1.199000 
1 1 1  -19    5   29 o   9.2970   0.3173   9.3170   0.4231   9.2760   0.4731 0.4123000E-01 0.6347000 
1 1 1  -19    5   30 o   2.3630   0.6813   2.6530   1.0000   2.0730   0.9255 0.5801000 1.363000 
1 1 1  -19    5   31 o   9.6060   0.3944   9.9650   0.4814   9.2480   0.6249 0.7168000 0.7888000 
1 1 1  -19    5   32 o   2.8420   0.7585   2.3950   1.0440   3.2890   1.1010 -0.8945000 1.517000 
1 1 1  -19    5   33 o   5.9540   0.5130   5.7560   0.7229   6.1520   0.7280 -0.3959000 1.026000 
1 1 1  -19    7    1 o   28.970   0.1891   29.290   0.2702   28.650   0.2646 0.6409000 0.3782000 
1 1 1  -19    7    2 f   11.520   0.1611   11.310   0.2310   11.740   0.2245 -0.4249000 0.3221000 
1 1 1  -19    7    3 o   17.220   0.1502   17.290   0.2142   17.150   0.2107 0.1464000 0.3005000 
1 1 1  -19    7    4 o   14.270   0.1674   14.540   0.2555   14.010   0.2162 0.5324000 0.3347000 
1 1 1  -19    7    5 o   26.000   0.1996   26.310   0.3137   25.680   0.2468 0.6253000 0.3992000 
1 1 1  -19    7    6 o   24.430   0.1937   24.570   0.3031   24.300   0.2414 0.2697000 0.3875000 
1 1 1  -19    7    7 o   34.130   0.2172   34.100   0.3073   34.150   0.3072 -0.5460000E-01 0.4345000 
1 1 1  -19    7    8 o   30.180   0.2012   30.290   0.2851   30.070   0.2839 0.2224000 0.4023000 
1 1 1  -19    7    9 o   33.480   0.2167   33.570   0.3072   33.400   0.3058 0.1706000 0.4335000 
1 1 1  -19    7   10 o   32.510   0.2389   32.760   0.3039   32.270   0.3688 0.4962000 0.4778000 
1 1 1  -19    7   11 o   32.270   0.2391   31.760   0.3004   32.780   0.3720 -1.018000 0.4781000 
1 1 1  -19    7   12 o   31.150   0.2118   31.210   0.3026   31.090   0.2965 0.1247000 0.4236000 
1 1 1  -19    7   13 o   54.940   0.3304   55.170   0.4701   54.710   0.4643 0.4613000 0.6608000 
1 1 1  -19    7   14 o   56.010   0.3763   56.240   0.5851   55.770   0.4734 0.4647000 0.7526000 
1 1 1  -19    7   15 o   54.070   0.3652   54.060   0.5662   54.080   0.4615 -0.1743000E-01 0.7305000 
1 1 1  -19    7   16 o   12.900   0.2583   13.050   0.3983   12.750   0.3288 0.2972000 0.5165000 
1 1 1  -19    7   17 o   20.730   0.2313   20.210   0.3645   21.240   0.2849 -1.033000 0.4626000 
1 1 1  -19    7   18 f   31.280   0.2780   31.440   0.3956   31.110   0.3906 0.3326000 0.5560000 
1 1 1  -19    7   19 o   23.450   0.1957   23.440   0.2608   23.460   0.2919 -0.2586000E-01 0.3915000 
1 1 1  -19    7   20 o   12.940   0.2457   12.880   0.3523   13.000   0.3424 -0.1214000 0.4913000 
1 1 1  -19    7   21 o   16.900   0.2043   17.080   0.2715   16.720   0.3054 0.3640000 0.4086000 
1 1 1  -19    7   22 o   8.4960   0.3226   9.1480   0.4025   7.8440   0.5042 1.304000 0.6451000 
1 1 1  -19    7   23 o   8.6530   0.3847   7.0800   0.6011   10.230   0.4803 -3.147000 0.7694000 
1 1 1  -19    7   24 o   19.970   0.2445   20.240   0.3119   19.700   0.3766 0.5368000 0.4890000 
1 1 1  -19    7   25 f   11.870   0.2566   11.970   0.3448   11.780   0.3801 0.1933000 0.5132000 
1 1 1  -19    7   26 o   8.1920   0.4788   8.7000   0.4406   7.6850   0.8502 1.015000 0.9576000 
1 1 1  -19    7   27 o   3.3080   0.7591   3.8800   0.9350   2.7360   1.1960 1.144000 1.518000 
1 1 1  -19    7   28 o   8.7520   0.3331   9.0360   0.4381   8.4680   0.5019 0.5680000 0.6662000 
1 1 1  -19    7   29 o   2.0870   0.6444   1.7530   0.8227   2.4200   0.9921 -0.6670000 1.289000 
1 1 1  -19    7   30 o   7.5650   0.3925   7.5980   0.5372   7.5320   0.5725 0.6614000E-01 0.7851000 
1 1 1  -19    7   31 o   10.190   0.3768   10.060   0.4930   10.320   0.5700 -0.2613000 0.7536000 
1 1 1  -19    7   32 o   5.0630   0.6716   4.3080   1.0870   5.8180   0.7885 -1.510000 1.343000 
1 1 1  -19    7   33 o   5.6740   0.5532   5.1900   0.7927   6.1570   0.7720 -0.9661000 1.106000 
1 1 1  -19    9    1 o   25.790   0.1759   25.560   0.2663   26.020   0.2299 -0.4581000 0.3518000 
1 1 1  -19    9    2 o   17.020   0.1612   17.260   0.2465   16.790   0.2077 0.4768000 0.3224000 
1 1 1  -19    9    3 o   12.940   0.1571   13.070   0.2199   12.810   0.2245 0.2514000 0.3143000 
1 1 1  -19    9    4 o   11.740   0.1667   11.720   0.2351   11.760   0.2364 -0.3410000E-01 0.3334000 
1 1 1  -19    9    5 o   22.050   0.1657   22.020   0.2523   22.090   0.2148 -0.7394000E-01 0.3313000 
1 1 1  -19    9    6 o   35.190   0.2120   35.140   0.3206   35.240   0.2774 -0.9839000E-01 0.4239000 
1 1 1  -19    9    7 o   30.880   0.2089   30.440   0.2947   31.330   0.2962 -0.8915000 0.4178000 
1 1 1  -19    9    8 o   65.860   0.4348   65.870   0.5496   65.850   0.6739 0.2472000E-01 0.8696000 
1 1 1  -19    9    9 o   73.640   0.4321   73.890   0.6135   73.390   0.6086 0.4909000 0.8642000 
1 1 1  -19    9   10 o   6.4600   0.4157   6.3040   0.5240   6.6160   0.6455 -0.3118000 0.8314000 
1 1 1  -19    9   11 o   9.2730   0.2762   9.2940   0.3900   9.2510   0.3912 0.4302000E-01 0.5524000 
1 1 1  -19    9   12 o   19.250   0.2159   19.300   0.2808   19.210   0.3281 0.8638000E-01 0.4319000 
1 1 1  -19    9   13 o   37.800   0.2750   37.510   0.4246   38.090   0.3495 -0.5813000 0.5500000 
1 1 1  -19    9   14 o   56.020   0.3789   56.310   0.5896   55.720   0.4761 0.5838000 0.7578000 
1 1 1  -19    9   15 f   21.550   0.2069   21.590   0.2984   21.510   0.2868 0.7143000E-01 0.4138000 
1 1 1  -19    9   16 o   19.010   0.2704   18.600   0.3980   19.430   0.3660 -0.8277000 0.5407000 
1 1 1  -19    9   17 o   36.160   0.2481   36.260   0.3551   36.070   0.3465 0.1847000 0.4962000 
1 1 1  -19    9   18 o   17.300   0.2256   17.320   0.3300   17.280   0.3076 0.4583000E-01 0.4512000 
1 1 1  -19    9   19 o   7.8210   0.4231   7.5970   0.6729   8.0440   0.5129 -0.4475000 0.8461000 
1 1 1  -19    9   20 o   18.490   0.2204   18.390   0.3192   18.600   0.3039 -0.2121000 0.4407000 
1 1 1  -19    9   21 o   20.330   0.2212   20.560   0.3211   20.100   0.3045 0.4636000 0.4425000 
1 1 1  -19    9   22 o   18.070   0.2735   17.860   0.4047   18.290   0.3678 -0.4294000 0.5469000 
1 1 1  -19    9   23 o   3.2470   0.7507   3.4310   1.0770   3.0620   1.0470 0.3686000 1.501000 
1 1 1  -19    9   24 o   12.040   0.3094   11.720   0.4069   12.350   0.4661 -0.6306000 0.6187000 
1 1 1  -19    9   25 o   9.3860   0.3072   9.7950   0.3941   8.9760   0.4715 0.8194000 0.6145000 
1 1 1  -19    9   26 o   16.100   0.2234   15.530   0.3021   16.680   0.3290 -1.153000 0.4467000 
1 1 1  -19    9   27 o   3.0040   0.8032   3.2040   1.0150   2.8050   1.2450 0.3996000 1.606000 
1 1 1  -19    9   28 o   12.300   0.3726   12.350   0.3537   12.240   0.6559 0.1095000 0.7452000 
1 1 1  -19    9   29 o   6.8000   0.4252   6.5810   0.5982   7.0200   0.6043 -0.4390000 0.8503000 
1 1 1  -19    9   30 o   3.0390   0.7799   3.5640   1.1170   2.5140   1.0880 1.050000 1.560000 
1 1 1  -19    9   31 o   6.6760   0.4898   7.2160   0.6597   6.1370   0.7241 1.078000 0.9795000 
1 1 1  -19    9   32 o   8.2510   0.3901   8.5570   0.4994   7.9440   0.5995 0.6130000 0.7803000 
1 1 1  -19   11    1 o   19.320   0.1613   19.300   0.2278   19.350   0.2285 -0.4890000E-01 0.3227000 
1 1 1  -19   11    2 f   14.400   0.1712   14.440   0.2410   14.350   0.2431 0.8742000E-01 0.3423000 
1 1 1  -19   11    3 o   12.860   0.1791   12.810   0.2534   12.910   0.2532 -0.9033000E-01 0.3582000 
1 1 1  -19   11    4 o   14.990   0.1799   15.160   0.2386   14.830   0.2694 0.3267000 0.3598000 
1 1 1  -19   11    5 o   46.710   0.2487   46.500   0.3502   46.930   0.3533 -0.4293000 0.4975000 
1 1 1  -19   11    6 o   31.190   0.2028   31.030   0.3067   31.360   0.2653 -0.3311000 0.4056000 
1 1 1  -19   11    7 o   40.410   0.2411   40.040   0.3631   40.780   0.3173 -0.7351000 0.4823000 
1 1 1  -19   11    8 o   21.270   0.1836   21.640   0.2804   20.890   0.2370 0.7490000 0.3671000 
1 1 1  -19   11    9 o   25.500   0.2154   25.060   0.3512   25.930   0.2493 -0.8712000 0.4307000 
1 1 1  -19   11   10 o   29.140   0.2636   29.460   0.3734   28.820   0.3722 0.6324000 0.5272000 
1 1 1  -19   11   11 o   28.300   0.3012  ?   ?    28.300   0.3012      ?      ? 
1 1 1  -19   11   12 o   27.800   0.2622   28.290   0.3715   27.310   0.3701 0.9834000 0.5244000 
1 1 1  -19   11   13 o   26.770   0.2663   26.460   0.3760   27.080   0.3773 -0.6130000 0.5326000 
1 1 1  -19   11   14 o   17.740   0.2708   17.890   0.3821   17.580   0.3838 0.3102000 0.5415000 
1 1 1  -19   11   15 o   51.400   0.3194   51.250   0.4518   51.540   0.4517 -0.2935000 0.6389000 
1 1 1  -19   11   16 o   30.380   0.2286   30.170   0.3255   30.590   0.3210 -0.4254000 0.4571000 
1 1 1  -19   11   17 o   36.060   0.2780   36.280   0.4328   35.840   0.3491 0.4310000 0.5560000 
1 1 1  -19   11   18 f   29.560   0.2535   29.370   0.3927   29.750   0.3208 -0.3710000 0.5071000 
1 1 1  -19   11   19 o   6.3530   0.4743   5.9230   0.7322   6.7840   0.6030 -0.8611000 0.9486000 
1 1 1  -19   11   20 o   24.440   0.2748   24.370   0.4068   24.520   0.3697 -0.1482000 0.5497000 
1 1 1  -19   11   21 o   22.480   0.2244   22.370   0.3244   22.580   0.3100 -0.2113000 0.4487000 
1 1 1  -19   11   22 o   4.1260   0.6813   5.0780   0.8719   3.1740   1.0470 1.904000 1.363000 
1 1 1  -19   11   23 o   12.990   0.2948   13.300   0.3811   12.690   0.4499 0.6153000 0.5896000 
1 1 1  -19   11   24 o   4.0310   0.6923   4.9620   0.8962   3.1000   1.0550 1.861000 1.385000 
1 1 1  -19   11   25 o   4.7030   0.6376   4.4770   0.9741   4.9300   0.8229 -0.4532000 1.275000 
1 1 1  -19   11   26 o   6.1460   0.4936   6.6260   0.6493   5.6660   0.7437 0.9604000 0.9873000 
1 1 1  -19   11   27 o   13.410   0.2540   13.500   0.3345   13.320   0.3823 0.1827000 0.5080000 
1 1 1  -19   11   28 o   7.6490   0.4564   7.8980   0.5024   7.4000   0.7620 0.4980000 0.9127000 
1 1 1  -19   11   29 o   5.5440   0.7830   5.5300   0.8440   5.5570   1.3190 -0.2775000E-01 1.566000 
1 1 1  -19   11   30 o   5.1620   0.6427   5.4780   0.7515   4.8460   1.0430 0.6315000 1.285000 
1 1 1  -19   11   31 o   3.8270   0.7808   3.6960   1.1340   3.9580   1.0740 -0.2626000 1.562000 
1 1 1  -19   11   32 o   3.8630   0.7158   4.9190   0.9129   2.8080   1.1030 2.111000 1.432000 
1 1 1  -19   13    1 o   32.880   0.2133   32.330   0.3183   33.440   0.2841 -1.111000 0.4266000 
1 1 1  -19   13    2 o   18.710   0.1759   18.660   0.2467   18.770   0.2510 -0.1029000 0.3519000 
1 1 1  -19   13    3 o   23.520   0.1876   23.520   0.2804   23.530   0.2492 -0.1748000E-01 0.3751000 
1 1 1  -19   13    4 o   12.620   0.2060   12.840   0.2877   12.400   0.2950 0.4374000 0.4121000 
1 1 1  -19   13    5 o   30.970   0.1923   31.130   0.2724   30.810   0.2716 0.3199000 0.3847000 
1 1 1  -19   13    6 o   49.840   0.2886   49.930   0.4372   49.740   0.3767 0.1968000 0.5771000 
1 1 1  -19   13    7 o   4.9700   0.5187   5.3250   0.7444   4.6150   0.7226 0.7099000 1.037000 
1 1 1  -19   13    8 o   58.830   0.3786   59.090   0.6207   58.570   0.4336 0.5134000 0.7572000 
1 1 1  -19   13    9 o   45.870   0.3550  ?   ?    45.870   0.3550      ?      ? 
1 1 1  -19   13   10 o   28.140   0.3061   27.860   0.5260   28.430   0.3134 -0.5754000 0.6123000 
1 1 1  -19   13   11 o   25.960   0.2667   26.140   0.3776   25.780   0.3766 0.3570000 0.5333000 
1 1 1  -19   13   12 o   39.450   0.2637   39.540   0.3746   39.350   0.3713 0.1914000 0.5274000 
1 1 1  -19   13   13 o   27.390   0.2248   27.760   0.3196   27.020   0.3163 0.7359000 0.4497000 
1 1 1  -19   13   14 o   20.290   0.2240   20.310   0.3153   20.280   0.3183 0.3050000E-01 0.4480000 
1 1 1  -19   13   15 o   16.140   0.2638   16.080   0.4076   16.190   0.3350 -0.1101000 0.5276000 
1 1 1  -19   13   16 o   21.270   0.2465   20.970   0.3804   21.570   0.3135 -0.5997000 0.4929000 
1 1 1  -19   13   17 o   22.180   0.2203   22.430   0.3142   21.930   0.3090 0.5061000 0.4407000 
1 1 1  -19   13   18 o   14.710   0.3112   14.430   0.4722   14.990   0.4054 -0.5611000 0.6223000 
1 1 1  -19   13   19 o   16.600   0.2377   16.790   0.3420   16.420   0.3301 0.3747000 0.4753000 
1 1 1  -19   13   20 o   9.6760   0.3278   9.2440   0.4906   10.110   0.4349 -0.8655000 0.6556000 
1 1 1  -19   13   21 o   10.410   0.3374   10.340   0.4485   10.490   0.5043 -0.1548000 0.6749000 
1 1 1  -19   13   22 o   3.8780   0.7705   3.7140   1.0690   4.0420   1.1100 -0.3273000 1.541000 
1 1 1  -19   13   23 o   19.150   0.2301   19.280   0.3287   19.020   0.3222 0.2620000 0.4602000 
1 1 1  -19   13   24 o   3.9690   0.7065   4.7870   0.9391   3.1510   1.0560 1.636000 1.413000 
1 1 1  -19   13   25 o   13.710   0.2732   13.670   0.4011   13.750   0.3710 -0.7909000E-01 0.5464000 
1 1 1  -19   13   26 o   2.7710   0.7562   3.1300   1.1260   2.4130   1.0090 0.7169000 1.512000 
1 1 1  -19   13   27 o   3.9600   0.8807   3.9700   1.2540   3.9500   1.2370 0.1962000E-01 1.761000 
1 1 1  -19   13   28 o   6.9530   0.6076   7.2030   0.8371   6.7020   0.8809 0.5013000 1.215000 
1 1 1  -19   13   29 o   6.6040   0.5360   7.6030   0.6541   5.6050   0.8494 1.998000 1.072000 
1 1 1  -19   13   30 o   5.8920   0.8181   6.1910   0.7688   5.5930   1.4440 0.5974000 1.636000 
1 1 1  -19   13   31 o   2.0160   0.6619   2.2030   0.9799   1.8300   0.8900 0.3729000 1.324000 
1 1 1  -19   15    1 o   47.990   0.3016   47.500   0.4225   48.490   0.4306 -0.9964000 0.6032000 
1 1 1  -19   15    2 o   20.710   0.2111   20.790   0.3006   20.640   0.2964 0.1551000 0.4222000 
1 1 1  -19   15    3 o   19.250   0.2146   19.330   0.3024   19.170   0.3045 0.1588000 0.4291000 
1 1 1  -19   15    4 o   32.720   0.2355   32.600   0.3314   32.840   0.3346 -0.2467000 0.4710000 
1 1 1  -19   15    5 o   8.4680   0.3626   8.5100   0.5061   8.4260   0.5194 0.8368000E-01 0.7252000 
1 1 1  -19   15    6 o   29.990   0.2467   30.050   0.4059   29.930   0.2805 0.1205000 0.4934000 
1 1 1  -19   15    7 o   23.000   0.2367   22.960   0.3913   23.030   0.2664 -0.7736000E-01 0.4734000 
1 1 1  -19   15    8 o   10.680   0.3349   11.040   0.5414   10.320   0.3942 0.7122000 0.6697000 
1 1 1  -19   15    9 o   12.880   0.2580   13.370   0.3916   12.400   0.3361 0.9747000 0.5161000 
1 1 1  -19   15   10 o   11.630   0.2748   11.700   0.4164   11.560   0.3586 0.1431000 0.5495000 
1 1 1  -19   15   11 o   29.320   0.2161   29.400   0.3290   29.240   0.2803 0.1614000 0.4322000 
1 1 1  -19   15   12 o   10.590   0.3499   10.420   0.5485   10.760   0.4346 -0.3423000 0.6998000 
1 1 1  -19   15   13 o   39.520   0.3001   39.610   0.4663   39.430   0.3777 0.1822000 0.6001000 
1 1 1  -19   15   14 o   15.130   0.2521   15.270   0.3544   14.990   0.3586 0.2851000 0.5042000 
1 1 1  -19   15   15 o   14.050   0.3290   14.730   0.4609   13.360   0.4695 1.366000 0.6579000 
1 1 1  -19   15   16 o   19.920   0.2808   19.860   0.4113   19.980   0.3824 -0.1201000 0.5616000 
1 1 1  -19   15   17 o   11.530   0.2963   11.520   0.4205   11.540   0.4175 -0.1410000E-01 0.5925000 
1 1 1  -19   15   18 o   17.420   0.2378   17.560   0.3399   17.290   0.3328 0.2689000 0.4757000 
1 1 1  -19   15   19 o   11.300   0.3042   10.900   0.4445   11.700   0.4153 -0.8019000 0.6083000 
1 1 1  -19   15   20 f   5.4530   0.6281   5.7370   0.7591   5.1680   1.0010 0.5689000 1.256000 
1 1 1  -19   15   21 o   12.580   0.2774   12.780   0.3867   12.380   0.3977 0.4001000 0.5548000 
1 1 1  -19   15   22 o   13.730   0.2638   13.790   0.3778   13.660   0.3684 0.1289000 0.5277000 
1 1 1  -19   15   23 o   14.350   0.2637   14.260   0.3828   14.440   0.3628 -0.1845000 0.5274000 
1 1 1  -19   15   24 o   8.4230   0.3933   8.3400   0.5686   8.5060   0.5437 -0.1663000 0.7867000 
1 1 1  -19   15   25 o   3.3900   0.7733   3.1250   1.1110   3.6550   1.0760 -0.5301000 1.547000 
1 1 1  -19   15   26 o   6.4280   0.6315   5.7950   0.9639   7.0620   0.8161 -1.266000 1.263000 
1 1 1  -19   15   27 o   7.8770   0.4254   7.7950   0.6133   7.9590   0.5898 -0.1645000 0.8509000 
1 1 1  -19   15   28 o   2.4680   0.7203   3.0050   1.1220   1.9310   0.9031 1.074000 1.441000 
1 1 1  -19   15   29 o   2.4290   0.7525   2.8030   1.1720   2.0560   0.9436 0.7468000 1.505000 
1 1 1  -19   15   30 o   2.7770   0.8379   2.4290   1.1260   3.1260   1.2410 -0.6968000 1.676000 
1 1 1  -19   17    1 f   5.9430   0.5731   6.4040   0.7272   5.4830   0.8861 0.9213000 1.146000 
1 1 1  -19   17    2 o   6.4870   0.5123   6.3490   0.7273   6.6250   0.7217 -0.2763000 1.025000 
1 1 1  -19   17    3 o   18.470   0.2685   18.720   0.4177   18.220   0.3376 0.4924000 0.5371000 
1 1 1  -19   17    4 o   10.360   0.3778   10.410   0.5837   10.320   0.4798 0.9461000E-01 0.7556000 
1 1 1  -19   17    5 o   17.010   0.2771   17.060   0.4326   16.950   0.3465 0.1165000 0.5543000 
1 1 1  -19   17    6 o   28.670   0.2326   28.050   0.3267   29.290   0.3311 -1.238000 0.4652000 
1 1 1  -19   17    7 o   27.180   0.2598   26.420   0.4027   27.930   0.3283 -1.505000 0.5195000 
1 1 1  -19   17    8 o   3.5120   0.8230   4.0620   1.2120   2.9620   1.1140 1.099000 1.646000 
1 1 1  -19   17    9 o   9.8660   0.3843   10.480   0.5800   9.2520   0.5044 1.228000 0.7687000 
1 1 1  -19   17   10 o   19.160   0.2225   18.830   0.3397   19.490   0.2874 -0.6550000 0.4450000 
1 1 1  -19   17   11 o   7.9730   0.4597   7.8680   0.7266   8.0780   0.5632 -0.2101000 0.9193000 
1 1 1  -19   17   12 o   19.240   0.2636   19.270   0.4139   19.210   0.3265 0.5557000E-01 0.5271000 
1 1 1  -19   17   13 o   8.9620   0.3692   8.9620   0.5371   8.9620   0.5068 0.8736000E-03 0.7385000 
1 1 1  -19   17   14 o   20.200   0.2325   19.870   0.3292   20.540   0.3284 -0.6688000 0.4650000 
1 1 1  -19   17   15 o   10.620   0.3235   10.250   0.4623   10.990   0.4525 -0.7410000 0.6469000 
1 1 1  -19   17   16 o   10.840   0.3215   10.480   0.4612   11.210   0.4479 -0.7292000 0.6429000 
1 1 1  -19   17   17 o   10.110   0.3713   10.230   0.4680   9.9840   0.5765 0.2479000 0.7426000 
1 1 1  -19   17   18 o   10.700   0.3550   10.750   0.4478   10.650   0.5509 0.1051000 0.7099000 
1 1 1  -19   17   19 o   6.4110   0.5008   6.8300   0.6621   5.9910   0.7517 0.8386000 1.002000 
1 1 1  -19   17   20 o   4.4400   0.7011   3.8050   1.0790   5.0740   0.8955 -1.269000 1.402000 
1 1 1  -19   17   21 o   5.7160   0.5586   5.7670   0.7918   5.6650   0.7881 0.1020000 1.117000 
1 1 1  -19   17   22 o   13.740   0.2761   13.620   0.3902   13.870   0.3908 -0.2570000 0.5523000 
1 1 1  -19   17   23 o   10.500   0.3280   10.400   0.4686   10.600   0.4590 -0.2017000 0.6560000 
1 1 1  -19   17   24 o   3.6750   0.8855   4.0920   1.2570   3.2580   1.2480 0.8335000 1.771000 
1 1 1  -19   17   25 o   6.5570   0.5028   6.4010   0.7543   6.7120   0.6649 -0.3108000 1.006000 
1 1 1  -19   17   26 o   5.5260   0.6121   5.5790   0.8662   5.4740   0.8650 0.1052000 1.224000 
1 1 1  -19   17   27 o   2.1880   0.7072   2.3110   1.0530   2.0650   0.9443 0.2458000 1.414000 
1 1 1  -19   17   28 o   2.0310   0.6824   2.0590   0.9812   2.0020   0.9486 0.5694000E-01 1.365000 
1 1 1  -19   19    1 o   15.750   0.4065   15.540   0.7309   15.970   0.3560 -0.4322000 0.8130000 
1 1 1  -19   19    2 o   9.9100   0.5705   9.3060   1.0410   10.510   0.4676 -1.207000 1.141000 
1 1 1  -19   19    3 o   4.3630   0.9793   5.2950   1.6090   3.4300   1.1170 1.865000 1.959000 
1 1 1  -19   19    4 o   12.600   0.2919   12.960   0.4083   12.230   0.4174 0.7339000 0.5838000 
1 1 1  -19   19    5 o   17.060   0.2439   16.860   0.3480   17.250   0.3418 -0.3881000 0.4878000 
1 1 1  -19   19    6 o   15.490   0.2542   15.490   0.3615   15.500   0.3574 -0.3290000E-02 0.5083000 
1 1 1  -19   19    7 o   28.320   0.2367   27.830   0.3367   28.810   0.3327 -0.9836000 0.4733000 
1 1 1  -19   19    8 o   5.3570   0.5780   5.2390   0.8954   5.4740   0.7311 -0.2351000 1.156000 
1 1 1  -19   19    9 o   9.0330   0.3566   8.5260   0.5691   9.5410   0.4298 -1.015000 0.7132000 
1 1 1  -19   19   10 o   6.4650   0.4846   5.9250   0.7894   7.0050   0.5622 -1.081000 0.9691000 
1 1 1  -19   19   11 o   12.330   0.2732   12.250   0.4160   12.420   0.3541 -0.1719000 0.5464000 
1 1 1  -19   19   12 o   9.6040   0.3283   9.4870   0.5026   9.7220   0.4225 -0.2357000 0.6566000 
1 1 1  -19   19   13 o   3.4840   0.7411   3.2380   1.0980   3.7300   0.9952 -0.4924000 1.482000 
1 1 1  -19   19   14 f   2.5870   0.7276   2.1290   0.9561   3.0460   1.0970 -0.9165000 1.455000 
1 1 1  -19   19   15 o   8.8090   0.3721   8.5460   0.5523   9.0720   0.4987 -0.5259000 0.7441000 
1 1 1  -19   19   16 o   8.6410   0.3929   8.6300   0.5496   8.6530   0.5617 -0.2281000E-01 0.7859000 
1 1 1  -19   19   17 o   2.3260   0.7089   1.9570   0.9117   2.6940   1.0860 -0.7368000 1.418000 
1 1 1  -19   19   18 o   2.3030   0.7036   2.5890   1.0520   2.0170   0.9347 0.5720000 1.407000 
1 1 1  -19   19   19 o   4.0260   0.7577   3.7820   1.1020   4.2710   1.0400 -0.4884000 1.515000 
1 1 1  -19   19   20 o   2.9600   0.7832   2.7590   1.0790   3.1600   1.1360 -0.4017000 1.566000 
1 1 1  -19   19   21 o   10.450   0.3499   10.410   0.4929   10.490   0.4969 -0.7861000E-01 0.6999000 
1 1 1  -19   19   22 o   2.9920   0.8316   3.5250   1.2270   2.4580   1.1230 1.067000 1.663000 
1 1 1  -19   19   23 o   3.4780   0.7918   3.4810   1.1100   3.4760   1.1290 0.5261000E-02 1.584000 
1 1 1  -19   19   24 o   7.9790   0.4392   8.0700   0.5957   7.8890   0.6455 0.1807000 0.8784000 
1 1 1  -19   19   25 o   5.4690   0.6230   5.5520   0.8700   5.3870   0.8920 0.1649000 1.246000 
1 1 1  -19   19   26 o   3.7960   0.8826   3.2780   1.2410   4.3130   1.2560 -1.035000 1.765000 
1 1 1  -19   19   27 o   2.5960   0.8374   2.5730   1.1640   2.6180   1.2050 -0.4548000E-01 1.675000 
1 1 1  -19   21    1 o   10.270   0.3486   10.550   0.4907   9.9840   0.4953 0.5635000 0.6972000 
1 1 1  -19   21    2 o   7.9830   0.3687   8.0870   0.5096   7.8800   0.5331 0.2074000 0.7375000 
1 1 1  -19   21    3 o   7.2570   0.4076   7.5050   0.5475   7.0100   0.6041 0.4943000 0.8153000 
1 1 1  -19   21    4 o   14.200   0.2392   14.150   0.3372   14.250   0.3393 -0.1051000 0.4784000 
1 1 1  -19   21    5 o   3.0720   0.7414   3.1650   1.0380   2.9800   1.0590 0.1854000 1.483000 
1 1 1  -19   21    6 o   8.6200   0.3441   8.4290   0.4920   8.8110   0.4812 -0.3824000 0.6882000 
1 1 1  -19   21    7 o   4.4050   0.7366   4.0470   1.0900   4.7620   0.9908 -0.7147000 1.473000 
1 1 1  -19   21    8 o   10.020   0.3435   9.9650   0.4895   10.070   0.4821 -0.1074000 0.6870000 
1 1 1  -19   21    9 o   9.3630   0.3673   9.9880   0.5072   8.7370   0.5315 1.251000 0.7347000 
1 1 1  -19   21   10 o   21.160   0.2401   20.950   0.3444   21.370   0.3347 -0.4175000 0.4802000 
1 1 1  -19   21   11 o   12.790   0.2808   12.700   0.4288   12.870   0.3626 -0.1783000 0.5616000 
1 1 1  -19   21   12 o   7.5660   0.4056   7.5630   0.6066   7.5680   0.5385 -0.5124000E-02 0.8111000 
1 1 1  -19   21   13 o   6.5080   0.4723   5.9100   0.7621   7.1050   0.5581 -1.196000 0.9446000 
1 1 1  -19   21   14 o   10.080   0.3154   9.9490   0.4814   10.220   0.4075 -0.2677000 0.6307000 
1 1 1  -19   21   15 o   17.530   0.2314   17.700   0.3488   17.370   0.3041 0.3346000 0.4628000 
1 1 1  -19   21   16 o   16.840   0.2754   17.000   0.4538   16.680   0.3122 0.3258000 0.5508000 
1 1 1  -19   21   17 o   3.7830   0.7378   4.3630   1.0340   3.2030   1.0530 1.161000 1.476000 
1 1 1  -19   21   18 o   2.9050   0.7253   3.7910   1.1050   2.0200   0.9401 1.771000 1.451000 
1 1 1  -19   21   19 o   3.3780   0.7958   4.4350   1.1700   2.3210   1.0790 2.114000 1.592000 
1 1 1  -19   21   20 o   10.080   0.3500   10.180   0.4973   9.9730   0.4926 0.2059000 0.7000000 
1 1 1  -19   21   21 f   4.9240   0.6681   4.5790   1.0110   5.2690   0.8736 -0.6895000 1.336000 
1 1 1  -19   21   22 o   4.1370   0.7194   2.8440   1.1120   5.4300   0.9130 -2.586000 1.439000 
1 1 1  -19   21   23 o   3.5150   0.8176   3.2880   1.1420   3.7430   1.1700 -0.4545000 1.635000 
1 1 1  -19   21   24 o   2.2210   0.7327   1.9870   0.9594   2.4560   1.1080 -0.4688000 1.465000 
1 1 1  -19   21   25 o   3.3290   0.9449   3.4300   1.3180   3.2280   1.3540 0.2014000 1.890000 
1 1 1  -19   23    1 o   9.4940   0.3186   9.5410   0.4488   9.4460   0.4524 0.9501000E-01 0.6372000 
1 1 1  -19   23    2 o   9.3270   0.3217   9.2150   0.4515   9.4400   0.4584 -0.2249000 0.6435000 
1 1 1  -19   23    3 o   6.4420   0.4496   6.3730   0.6372   6.5120   0.6346 -0.1391000 0.8993000 
1 1 1  -19   23    4 o   7.6300   0.3819   7.4930   0.5423   7.7670   0.5378 -0.2743000 0.7638000 
1 1 1  -19   23    5 o   12.150   0.2606   11.860   0.3688   12.440   0.3684 -0.5730000 0.5213000 
1 1 1  -19   23    6 o   2.6500   0.6951   3.1780   1.0300   2.1210   0.9331 1.057000 1.390000 
1 1 1  -19   23    7 o   5.2230   0.6009   5.4990   0.8713   4.9460   0.8278 0.5521000 1.202000 
1 1 1  -19   23    8 o   4.6350   0.6706   4.6860   1.0020   4.5840   0.8920 0.1021000 1.341000 
1 1 1  -19   23    9 o   12.280   0.2901   12.080   0.4496   12.480   0.3666 -0.3994000 0.5801000 
1 1 1  -19   23   10 o   2.9930   0.7685   3.0850   1.1340   2.9000   1.0370 0.1845000 1.537000 
1 1 1  -19   23   11 o   3.7810   0.7378   3.2820   1.1540   4.2810   0.9199 -0.9989000 1.476000 
1 1 1  -19   23   12 o   4.5460   0.6635   4.4840   1.0070   4.6080   0.8642 -0.1240000 1.327000 
1 1 1  -19   23   13 o   7.7840   0.4037   7.4230   0.6311   8.1450   0.5037 -0.7221000 0.8075000 
1 1 1  -19   23   14 o   6.9970   0.4431   7.1990   0.6445   6.7940   0.6082 0.4056000 0.8861000 
1 1 1  -19   23   15 o   9.5720   0.4105   9.0680   0.6385   10.080   0.5162 -1.008000 0.8211000 
1 1 1  -19   23   16 o   6.3830   0.6134   5.3280   1.0260   7.4390   0.6719 -2.111000 1.227000 
1 1 1  -19   23   17 o   6.9410   0.4550   6.7930   0.6952   7.0890   0.5873 -0.2962000 0.9101000 
1 1 1  -19   23   18 o   4.3670   0.7025   3.7480   1.1070   4.9860   0.8647 -1.239000 1.405000 
1 1 1  -19   23   19 o   2.4010   0.7159   2.7370   1.0910   2.0650   0.9278 0.6719000 1.432000 
1 1 1  -19   23   20 o   1.9050   0.6373   1.7990   0.8613   2.0120   0.9395 -0.2130000 1.275000 
1 1 1  -19   23   21 o   4.3480   0.8441   4.5800   1.2640   4.1160   1.1190 0.4643000 1.688000 
1 1 1  -19   23   22 o   2.8630   0.9069   2.5650   1.2220   3.1600   1.3400 -0.5951000 1.814000 
1 1 1  -19   23   23 o   2.1960   1.0480   2.1960   1.0480  ?   ?       ?      ? 
1 1 1  -19   25    1 o   9.5390   0.3217   9.4640   0.4544   9.6140   0.4556 -0.1498000 0.6434000 
1 1 1  -19   25    2 o   2.9940   0.7392   2.7270   1.0290   3.2600   1.0620 -0.5330000 1.478000 
1 1 1  -19   25    3 o   6.8390   0.4365   7.0360   0.6015   6.6410   0.6327 0.3949000 0.8730000 
1 1 1  -19   25    4 o   9.8910   0.3136   9.4900   0.4566   10.290   0.4300 -0.8029000 0.6272000 
1 1 1  -19   25    5 o   13.490   0.2515   13.950   0.3474   13.030   0.3636 0.9208000 0.5029000 
1 1 1  -19   25    6 o   9.0860   0.3286   9.0420   0.4701   9.1290   0.4592 -0.8700000E-01 0.6571000 
1 1 1  -19   25    7 o   6.7180   0.5628   7.4290   0.7866   6.0070   0.8051 1.422000 1.126000 
1 1 1  -19   25    8 o   3.4080   0.7033   5.0580   1.1210   1.7580   0.8494 3.301000 1.407000 
1 1 1  -19   25    9 o   2.6350   0.7696   2.3870   1.0730   2.8830   1.1040 -0.4962000 1.539000 
1 1 1  -19   25   10 o   3.4250   0.8309   3.6410   1.2310   3.2100   1.1170 0.4309000 1.662000 
1 1 1  -19   25   11 f   3.4660   0.8091   2.9670   1.1900   3.9650   1.0970 -0.9980000 1.618000 
1 1 1  -19   25   12 o   6.7120   0.4729   6.7030   0.7210   6.7200   0.6122 -0.1784000E-01 0.9459000 
1 1 1  -19   25   13 o   5.2040   0.6290   4.3900   1.0520   6.0180   0.6896 -1.628000 1.258000 
1 1 1  -19   25   14 o   3.9500   0.7508   4.3490   1.0560   3.5520   1.0670 0.7971000 1.502000 
1 1 1  -19   25   15 o   2.7390   0.7576   2.8340   1.1030   2.6450   1.0390 0.1891000 1.515000 
1 1 1  -19   25   16 o   3.0690   0.7801   3.1110   1.1440   3.0260   1.0600 0.8485000E-01 1.560000 
1 1 1  -19   25   17 o   7.2330   0.5046   6.5810   0.7718   7.8860   0.6503 -1.305000 1.009000 
1 1 1  -19   25   18 o   2.6160   0.7918   2.4650   1.1120   2.7660   1.1270 -0.3008000 1.584000 
1 1 1  -19   25   19 o   2.6620   0.8228   2.3650   1.1570   2.9590   1.1710 -0.5942000 1.646000 
1 1 1  -19   25   20 o   3.0530   0.8918   3.5670   1.3220   2.5390   1.1970 1.028000 1.784000 
1 1 1  -19   27    1 o   7.6270   0.3987   7.6400   0.5660   7.6140   0.5617 0.2591000E-01 0.7975000 
1 1 1  -19   27    2 o   5.4620   0.5583   5.3290   0.8134   5.5950   0.7649 -0.2663000 1.117000 
1 1 1  -19   27    3 o   6.4580   0.4706   6.6210   0.6477   6.2950   0.6828 0.3256000 0.9411000 
1 1 1  -19   27    4 o   5.6490   0.5471   4.9790   0.8740   6.3190   0.6584 -1.340000 1.094000 
1 1 1  -19   27    5 o   4.5590   0.6553   4.6650   0.9272   4.4520   0.9262 0.2130000 1.311000 
1 1 1  -19   27    6 o   2.6140   0.7296   2.7120   1.0520   2.5160   1.0110 0.1954000 1.459000 
1 1 1  -19   27    7 o   4.7240   0.6790   4.8960   1.0030   4.5530   0.9154 0.3430000 1.358000 
1 1 1  -19   27    8 o   4.8740   0.6671   5.4710   0.9104   4.2780   0.9753 1.193000 1.334000 
1 1 1  -19   27    9 o   2.8340   0.7620   3.4820   1.1830   2.1870   0.9610 1.294000 1.524000 
1 1 1  -19   27   10 o   7.7270   0.4440   7.5520   0.6981   7.9030   0.5489 -0.3506000 0.8881000 
1 1 1  -19   27   11 o   2.8490   0.7746   2.6660   1.1140   3.0320   1.0770 -0.3655000 1.549000 
1 1 1  -19   27   12 o   2.9050   0.8318   3.4340   1.3000   2.3760   1.0380 1.058000 1.664000 
1 1 1  -19   27   13 o   2.2090   0.7225   2.2570   1.0580   2.1610   0.9844 0.9562000E-01 1.445000 
1 1 1  -19   27   14 o   2.4880   0.8304   2.7060   1.2790   2.2690   1.0590 0.4367000 1.661000 
1 1 1  -19   27   15 o   3.4210   0.8577   4.1100   1.3010   2.7320   1.1180 1.378000 1.715000 
1 1 1  -19   27   16 o   2.6300   0.7912   2.4610   1.1130   2.7980   1.1250 -0.3374000 1.582000 
1 1 1  -19   29    1 f   2.2550   0.7015   1.9590   0.9311   2.5510   1.0490 -0.5917000 1.403000 
1 1 1  -19   29    2 o   7.6450   0.4230   7.4600   0.6244   7.8300   0.5709 -0.3694000 0.8461000 
1 1 1  -19   29    3 o   2.9990   0.7646   2.5960   1.0670   3.4030   1.0960 -0.8070000 1.529000 
1 1 1  -19   29    4 o   4.5370   0.7656   5.2260   1.0330   3.8480   1.1300 1.378000 1.531000 
1 1 1  -19   29    5 o   4.8390   0.7504   5.0570   1.0740   4.6210   1.0480 0.4359000 1.501000 
1 1 1  -19   29    6 o   8.2980   0.4600   8.6400   0.6647   7.9560   0.6361 0.6832000 0.9201000 
1 1 1  -19   29    7 o   2.7560   0.8211   2.7800   1.2100   2.7320   1.1100 0.4794000E-01 1.642000 
1 1 1  -19   29    8 o   3.3860   0.7494   2.2060   1.0450   4.5660   1.0750 -2.361000 1.499000 
1 1 1  -19   29    9 o   2.3570   0.7529   2.2860   1.0720   2.4290   1.0580 -0.1428000 1.506000 
1 1 1  -19   29   10 o   1.7140   0.5945   1.9500   0.9308   1.4780   0.7399 0.4716000 1.189000 
1 1 1  -19   29   11 f   3.3760   0.7513   2.5940   1.1040   4.1580   1.0190 -1.564000 1.503000 
1 1 1  -18    0    1 o   2.7310   0.6248   2.7310   0.6248   2.7310   0.6248 -0.000000 0.000000 
1 1 1  -18    0    2 o   25.830   0.2192   25.830   0.2192   25.830   0.2192 -0.000000 0.000000 
1 1 1  -18    0    3 o   29.320   0.2990   29.320   0.2990   29.320   0.2990 -0.000000 0.000000 
1 1 1  -18    0    4 o   23.670   0.1737   23.670   0.1737   23.670   0.1737 -0.000000 0.000000 
1 1 1  -18    0    5 o   7.3720   0.1479   7.3720   0.1479   7.3720   0.1479 -0.000000 0.000000 
1 1 1  -18    0    6 o   20.570   0.1605   20.570   0.1605   20.570   0.1605 -0.000000 0.000000 
1 1 1  -18    0    7 f   38.320   0.3910   38.320   0.3910   38.320   0.3910 -0.000000 0.000000 
1 1 1  -18    0    8 o   15.320   0.1504   15.320   0.1504   15.320   0.1504 -0.000000 0.000000 
1 1 1  -18    0    9 o   13.660   0.1583   13.660   0.1583   13.660   0.1583 -0.000000 0.000000 
1 1 1  -18    0   10 o   12.330   0.1708   12.330   0.1708   12.330   0.1708 -0.000000 0.000000 
1 1 1  -18    0   11 o   65.250   0.4648   65.250   0.4648   65.250   0.4648 -0.000000 0.000000 
1 1 1  -18    0   12 o   20.280   0.2710   20.280   0.2710   20.280   0.2710 -0.000000 0.000000 
1 1 1  -18    0   13 o   15.190   0.1938   15.190   0.1938   15.190   0.1938 -0.000000 0.000000 
1 1 1  -18    0   14 o   13.260   0.2152   13.260   0.2152   13.260   0.2152 -0.000000 0.000000 
1 1 1  -18    0   15 o   17.790   0.2131   17.790   0.2131   17.790   0.2131 -0.000000 0.000000 
1 1 1  -18    0   16 o   62.140   0.4499   62.140   0.4499   62.140   0.4499 -0.000000 0.000000 
1 1 1  -18    0   17 o   29.570   0.2555   29.570   0.2555   29.570   0.2555 -0.000000 0.000000 
1 1 1  -18    0   18 o   10.120   0.3342   10.120   0.3342   10.120   0.3342 -0.000000 0.000000 
1 1 1  -18    0   19 o   49.530   0.3721   49.530   0.3721   49.530   0.3721 -0.000000 0.000000 
1 1 1  -18    0   20 o   8.8240   0.5406   8.8240   0.5406   8.8240   0.5406 -0.000000 0.000000 
1 1 1  -18    0   21 f   11.360   0.3317   11.360   0.3317   11.360   0.3317 -0.000000 0.000000 
1 1 1  -18    0   22 o   15.680   0.2833   15.680   0.2833   15.680   0.2833 -0.000000 0.000000 
1 1 1  -18    0   23 o   27.860   0.3797   27.860   0.3797   27.860   0.3797 -0.000000 0.000000 
1 1 1  -18    0   24 o   24.040   0.3701   24.040   0.3701   24.040   0.3701 -0.000000 0.000000 
1 1 1  -18    0   25 f   6.6160   0.7855   6.6160   0.7855   6.6160   0.7855 -0.000000 0.000000 
1 1 1  -18    0   26 o   11.390   0.3338   11.390   0.3338   11.390   0.3338 -0.000000 0.000000 
1 1 1  -18    0   27 o   1.5500   0.9824   1.5500   0.9824   1.5500   0.9824 -0.000000 0.000000 
1 1 1  -18    0   28 o   12.060   0.3490   12.060   0.3490   12.060   0.3490 -0.000000 0.000000 
1 1 1  -18    0   29 o   13.860   0.3213   13.860   0.3213   13.860   0.3213 -0.000000 0.000000 
1 1 1  -18    0   30 o   23.170   0.2819   23.170   0.2819   23.170   0.2819 -0.000000 0.000000 
1 1 1  -18    0   31 o   1.7260   1.0980   1.7260   1.0980   1.7260   1.0980 -0.000000 0.000000 
1 1 1  -18    0   32 o   1.1970   0.8651   1.1970   0.8651   1.1970   0.8651 -0.000000 0.000000 
1 1 1  -18    0   33 o   7.6840   0.6071   7.6840   0.6071   7.6840   0.6071 -0.000000 0.000000 
1 1 1  -18    0   34 o   1.2380   0.8723   1.2380   0.8723   1.2380   0.8723 -0.000000 0.000000 
1 1 1  -18    2    1 o   19.310   0.1372   19.540   0.2109   19.070   0.1755 0.4765000 0.2744000 
1 1 1  -18    2    2 o   40.650   0.3314   39.920   0.5683   41.370   0.3410 -1.451000 0.6627000 
1 1 1  -18    2    3 o   13.340   0.1177   13.120   0.2015   13.560   0.1215 -0.4402000 0.2353000 
1 1 1  -18    2    4 o   48.970   0.4289   49.270   0.7037   48.680   0.4905 0.5857000 0.8578000 
1 1 1  -18    2    5 o   19.850   0.1441   19.720   0.1806   19.980   0.2247 -0.2623000 0.2883000 
1 1 1  -18    2    6 o   21.620   0.1966   21.620   0.1966  ?   ?       ?      ? 
1 1 1  -18    2    7 o   11.690   0.1216   11.810   0.1700   11.580   0.1738 0.2357000 0.2432000 
1 1 1  -18    2    8 o   26.420   0.1568   26.210   0.2035   26.630   0.2385 -0.4162000 0.3135000 
1 1 1  -18    2    9 o   12.490   0.1276   12.590   0.1677   12.380   0.1923 0.2071000 0.2552000 
1 1 1  -18    2   10 o   36.450   0.2075   36.380   0.2712   36.510   0.3141 -0.1303000 0.4150000 
1 1 1  -18    2   11 o   36.630   0.2502   36.740   0.3178   36.520   0.3867 0.2243000 0.5005000 
1 1 1  -18    2   12 o   31.140   0.2459   31.680   0.3510   30.600   0.3444 1.075000 0.4918000 
1 1 1  -18    2   13 o   13.180   0.1604   13.110   0.2087   13.250   0.2436 -0.1388000 0.3207000 
1 1 1  -18    2   14 o   19.680   0.1589   19.720   0.2081   19.640   0.2403 0.7842000E-01 0.3178000 
1 1 1  -18    2   15 o   13.420   0.1966   13.440   0.2805   13.400   0.2757 0.4122000E-01 0.3933000 
1 1 1  -18    2   16 o   44.060   0.2543   44.110   0.3338   44.000   0.3838 0.1122000 0.5086000 
1 1 1  -18    2   17 o   11.420   0.2198   11.780   0.2822   11.050   0.3371 0.7302000 0.4396000 
1 1 1  -18    2   18 o   80.950   0.4434   81.310   0.5832   80.590   0.6682 0.7182000 0.8869000 
1 1 1  -18    2   19 o   14.100   0.2097   14.270   0.2798   13.940   0.3125 0.3289000 0.4195000 
1 1 1  -18    2   20 o   8.6380   0.3944   9.1650   0.5287   8.1120   0.5854 1.052000 0.7888000 
1 1 1  -18    2   21 o   16.200   0.2383   16.290   0.3691   16.120   0.3015 0.1669000 0.4766000 
1 1 1  -18    2   22 o   9.3550   0.3412   9.2970   0.5358   9.4130   0.4228 -0.1159000 0.6825000 
1 1 1  -18    2   23 o   22.310   0.1995   22.120   0.2661   22.500   0.2972 -0.3767000 0.3989000 
1 1 1  -18    2   24 f   21.330   0.2920   21.560   0.3032   21.110   0.4991 0.4442000 0.5840000 
1 1 1  -18    2   25 o   6.8860   0.5905   6.8860   0.5905  ?   ?       ?      ? 
1 1 1  -18    2   26 o   13.200   0.2397   13.350   0.3110   13.050   0.3647 0.2964000 0.4793000 
1 1 1  -18    2   27 o   24.260   0.2053   24.450   0.2693   24.080   0.3098 0.3689000 0.4105000 
1 1 1  -18    2   28 o   11.700   0.2630   11.550   0.3499   11.860   0.3926 -0.3064000 0.5259000 
1 1 1  -18    2   29 f   10.780   0.2822   11.050   0.3675   10.520   0.4285 0.5318000 0.5645000 
1 1 1  -18    2   30 o   16.570   0.2275   16.800   0.3052   16.350   0.3375 0.4462000 0.4550000 
1 1 1  -18    2   31 o   13.150   0.2578   12.850   0.3412   13.450   0.3866 -0.5962000 0.5156000 
1 1 1  -18    2   32 o   4.3050   0.8580   4.1460   1.2200   4.4650   1.2070 -0.3185000 1.716000 
1 1 1  -18    2   33 o   7.7430   0.3970   7.6400   0.5338   7.8460   0.5877 -0.2064000 0.7939000 
1 1 1  -18    2   34 o   4.9080   0.6543   5.8430   0.7135   3.9720   1.0970 1.871000 1.309000 
1 1 1  -18    4    1 o   20.910   0.1338   21.250   0.2016   20.570   0.1761 0.6839000 0.2677000 
1 1 1  -18    4    2 o   19.160   0.1175   19.200   0.1657   19.130   0.1666 0.7321000E-01 0.2349000 
1 1 1  -18    4    3 o   28.260   0.1654   28.670   0.2536   27.860   0.2125 0.8118000 0.3308000 
1 1 1  -18    4    4 o   33.880   0.1916   33.730   0.2892   34.020   0.2514 -0.2955000 0.3832000 
1 1 1  -18    4    5 o   15.990   0.1345   16.250   0.1907   15.730   0.1898 0.5231000 0.2691000 
1 1 1  -18    4    6 o   23.980   0.1977   24.100   0.2803   23.860   0.2789 0.2465000 0.3954000 
1 1 1  -18    4    7 o   40.310   0.2709   40.300   0.4205   40.310   0.3416 -0.9567000E-02 0.5417000 
1 1 1  -18    4    8 o   9.0080   0.1815   9.0200   0.2667   8.9970   0.2462 0.2281000E-01 0.3629000 
1 1 1  -18    4    9 o   24.000   0.1664   23.800   0.2365   24.190   0.2342 -0.3974000 0.3329000 
1 1 1  -18    4   10 o   14.220   0.1877   14.370   0.2692   14.070   0.2616 0.3035000 0.3754000 
1 1 1  -18    4   11 o   17.890   0.1574   18.060   0.2256   17.720   0.2194 0.3492000 0.3147000 
1 1 1  -18    4   12 o   39.260   0.2714   39.170   0.3431   39.350   0.4206 -0.1777000 0.5427000 
1 1 1  -18    4   13 o   25.360   0.1710   25.430   0.2250   25.300   0.2576 0.1322000 0.3420000 
1 1 1  -18    4   14 o   46.570   0.2645   46.640   0.3471   46.490   0.3992 0.1561000 0.5290000 
1 1 1  -18    4   15 o   31.560   0.1995   31.910   0.2640   31.210   0.2993 0.6965000 0.3990000 
1 1 1  -18    4   16 o   33.900   0.2108   33.740   0.2758   34.050   0.3190 -0.3062000 0.4217000 
1 1 1  -18    4   17 o   62.660   0.3486   62.660   0.4567   62.660   0.5269 0.4478000E-02 0.6972000 
1 1 1  -18    4   18 f   19.510   0.1883   19.600   0.2497   19.410   0.2821 0.1939000 0.3767000 
1 1 1  -18    4   19 o   15.620   0.2706   15.490   0.3795   15.750   0.3858 -0.2657000 0.5411000 
1 1 1  -18    4   20 o   28.630   0.2416   29.200   0.3798   28.070   0.2986 1.125000 0.4831000 
1 1 1  -18    4   21 o   23.890   0.2342   24.000   0.3705   23.790   0.2867 0.2051000 0.4685000 
1 1 1  -18    4   22 o   14.480   0.2164   14.800   0.2916   14.160   0.3198 0.6427000 0.4328000 
1 1 1  -18    4   23 o   11.640   0.2474   11.880   0.3314   11.400   0.3673 0.4790000 0.4947000 
1 1 1  -18    4   24 o   8.3860   0.3813   8.4650   0.5159   8.3060   0.5615 0.1591000 0.7625000 
1 1 1  -18    4   25 o   13.810   0.2851   14.140   0.3414   13.480   0.4566 0.6608000 0.5702000 
1 1 1  -18    4   26 o   4.5010   0.7538   5.0300   0.7115   3.9720   1.3290 1.059000 1.508000 
1 1 1  -18    4   27 o   10.100   0.4097   10.190   0.3809   9.9980   0.7256 0.1961000 0.8194000 
1 1 1  -18    4   28 f   21.130   0.2099   21.060   0.2778   21.190   0.3148 -0.1263000 0.4198000 
1 1 1  -18    4   29 o   19.690   0.2133   19.760   0.2849   19.630   0.3176 0.1243000 0.4267000 
1 1 1  -18    4   30 o   20.340   0.2156   20.610   0.2868   20.080   0.3221 0.5303000 0.4313000 
1 1 1  -18    4   31 o   2.5200   0.7566   2.6300   1.0640   2.4110   1.0760 0.2184000 1.513000 
1 1 1  -18    4   32 o   4.8420   0.6677   5.3130   0.8986   4.3710   0.9879 0.9417000 1.335000 
1 1 1  -18    4   33 o   2.6340   0.6884   1.7640   0.8342   3.5040   1.0950 -1.740000 1.377000 
1 1 1  -18    4   34 o   6.5080   0.5297   6.8770   0.6534   6.1390   0.8338 0.7379000 1.059000 
1 1 1  -18    6    1 o   25.220   0.1472   25.380   0.2090   25.050   0.2073 0.3362000 0.2944000 
1 1 1  -18    6    2 o   27.910   0.1570   27.850   0.2215   27.960   0.2227 -0.1118000 0.3141000 
1 1 1  -18    6    3 o   24.370   0.1442   24.410   0.2038   24.330   0.2040 0.8202000E-01 0.2883000 
1 1 1  -18    6    4 o   24.430   0.1444   24.460   0.2046   24.400   0.2039 0.5519000E-01 0.2888000 
1 1 1  -18    6    5 o   41.820   0.2356   41.720   0.3559   41.920   0.3087 -0.2015000 0.4711000 
1 1 1  -18    6    6 o   9.4540   0.1880   9.5330   0.2652   9.3760   0.2666 0.1572000 0.3761000 
1 1 1  -18    6    7 o   11.610   0.2061   11.830   0.2885   11.390   0.2945 0.4331000 0.4123000 
1 1 1  -18    6    8 o   14.250   0.1952   14.070   0.2816   14.430   0.2705 -0.3634000 0.3905000 
1 1 1  -18    6    9 o   8.9020   0.2199   8.9960   0.3122   8.8080   0.3097 0.1879000 0.4398000 
1 1 1  -18    6   10 o   31.020   0.2040   31.130   0.2901   30.910   0.2868 0.2234000 0.4079000 
1 1 1  -18    6   11 o   59.100   0.3913   59.070   0.4949   59.120   0.6064 -0.5169000E-01 0.7827000 
1 1 1  -18    6   12 o   22.410   0.2014   22.040   0.3134   22.780   0.2530 -0.7407000 0.4027000 
1 1 1  -18    6   13 o   73.950   0.4332   73.460   0.6090   74.440   0.6163 -0.9778000 0.8664000 
1 1 1  -18    6   14 o   58.030   0.3465   58.000   0.4905   58.060   0.4896 -0.6229000E-01 0.6930000 
1 1 1  -18    6   15 o   47.700   0.2929   48.100   0.4183   47.300   0.4101 0.8015000 0.5857000 
1 1 1  -18    6   16 o   54.860   0.3316   55.000   0.4710   54.730   0.4670 0.2675000 0.6633000 
1 1 1  -18    6   17 o   26.270   0.1951   25.920   0.2586   26.610   0.2921 -0.6860000 0.3901000 
1 1 1  -18    6   18 f   28.630   0.3229   29.060   0.5263   28.190   0.3742 0.8721000 0.6458000 
1 1 1  -18    6   19 o   15.360   0.2533   15.210   0.3982   15.510   0.3133 -0.3071000 0.5066000 
1 1 1  -18    6   20 o   26.480   0.2126   26.720   0.3046   26.230   0.2966 0.4856000 0.4251000 
1 1 1  -18    6   21 o   20.470   0.1962   20.640   0.2628   20.290   0.2913 0.3563000 0.3924000 
1 1 1  -18    6   22 o   17.390   0.2040   17.150   0.2770   17.630   0.2996 -0.4728000 0.4080000 
1 1 1  -18    6   23 o   10.530   0.3173   10.600   0.4267   10.470   0.4698 0.1361000 0.6347000 
1 1 1  -18    6   24 o   9.1350   0.3589   8.7790   0.4779   9.4910   0.5357 -0.7113000 0.7179000 
1 1 1  -18    6   25 o   3.8670   0.6815   3.8750   0.9382   3.8590   0.9888 0.1616000E-01 1.363000 
1 1 1  -18    6   26 o   3.0610   0.6897   3.6400   0.9589   2.4810   0.9916 1.159000 1.379000 
1 1 1  -18    6   27 o   3.4580   0.8307   3.3050   1.0050   3.6120   1.3230 -0.3068000 1.661000 
1 1 1  -18    6   28 o   2.4720   0.7467   2.4720   0.9688   2.4720   1.1370 0.5751000E-03 1.493000 
1 1 1  -18    6   29 o   10.090   0.3002   10.180   0.3952  10.0000   0.4520 0.1805000 0.6004000 
1 1 1  -18    6   30 o   3.8490   0.6966   4.3510   0.8883   3.3460   1.0730 1.005000 1.393000 
1 1 1  -18    6   31 o   2.7680   0.7348   3.5390   1.1230   1.9960   0.9484 1.542000 1.470000 
1 1 1  -18    6   32 o   3.9090   0.6938   2.6740   1.0840   5.1430   0.8657 -2.469000 1.388000 
1 1 1  -18    6   33 o   3.3720   0.7660   3.2140   1.0600   3.5300   1.1060 -0.3164000 1.532000 
1 1 1  -18    8    1 o   39.580   0.2283   39.570   0.3443   39.590   0.3000 -0.2845000E-01 0.4567000 
1 1 1  -18    8    2 o   28.180   0.1789   27.960   0.2699   28.400   0.2349 -0.4397000 0.3577000 
1 1 1  -18    8    3 o   23.110   0.1490   23.240   0.2111   22.970   0.2103 0.2778000 0.2979000 
1 1 1  -18    8    4 o   10.550   0.1662   10.390   0.2393   10.710   0.2307 -0.3236000 0.3324000 
1 1 1  -18    8    5 o   37.210   0.2182   37.270   0.3311   37.160   0.2844 0.1096000 0.4365000 
1 1 1  -18    8    6 o   16.180   0.1690   16.000   0.2393   16.350   0.2386 -0.3484000 0.3379000 
1 1 1  -18    8    7 o   21.710   0.1624   21.510   0.2463   21.910   0.2116 -0.3946000 0.3247000 
1 1 1  -18    8    8 o   26.590   0.1912   26.850   0.2705   26.320   0.2701 0.5289000 0.3823000 
1 1 1  -18    8    9 o   50.480   0.3405   50.380   0.4298   50.580   0.5282 -0.2010000 0.6810000 
1 1 1  -18    8   10 o   4.5330   0.4807   4.1040   0.7374   4.9620   0.6167 -0.8577000 0.9613000 
1 1 1  -18    8   11 f   28.630   0.2031   28.780   0.2890   28.490   0.2855 0.2853000 0.4062000 
1 1 1  -18    8   12 o   53.370   0.3223   53.860   0.4604   52.870   0.4511 0.9934000 0.6446000 
1 1 1  -18    8   13 o   68.830   0.4066   68.850   0.5756   68.810   0.5744 0.4004000E-01 0.8132000 
1 1 1  -18    8   14 o   12.700   0.2333   12.810   0.3347   12.590   0.3252 0.2216000 0.4667000 
1 1 1  -18    8   15 o   37.750   0.2494   37.350   0.3539   38.150   0.3514 -0.7956000 0.4987000 
1 1 1  -18    8   16 o   31.250   0.2490   31.060   0.3854   31.450   0.3154 -0.3928000 0.4980000 
1 1 1  -18    8   17 f   22.810   0.3104   22.700   0.5040   22.920   0.3625 -0.2181000 0.6208000 
1 1 1  -18    8   18 o   44.250   0.2825   44.270   0.4019   44.230   0.3969 0.4412000E-01 0.5649000 
1 1 1  -18    8   19 o   39.410   0.2924   39.580   0.4558   39.240   0.3664 0.3359000 0.5848000 
1 1 1  -18    8   20 o   3.8230   0.6804   3.1410   1.0590   4.5040   0.8542 -1.362000 1.361000 
1 1 1  -18    8   21 o   28.810   0.2245   28.900   0.3210   28.730   0.3139 0.1650000 0.4490000 
1 1 1  -18    8   22 o   6.0620   0.5365   5.5440   0.7921   6.5800   0.7238 -1.036000 1.073000 
1 1 1  -18    8   23 o   16.080   0.2177   16.380   0.2849   15.780   0.3291 0.6034000 0.4353000 
1 1 1  -18    8   24 o   13.540   0.2843   13.820   0.3596   13.260   0.4406 0.5592000 0.5687000 
1 1 1  -18    8   25 o   10.410   0.2804   10.300   0.3845   10.530   0.4083 -0.2322000 0.5608000 
1 1 1  -18    8   26 o   7.3410   0.3759   7.4110   0.5084   7.2710   0.5537 0.1404000 0.7517000 
1 1 1  -18    8   27 o   6.3910   0.4289   5.9620   0.6403   6.8210   0.5709 -0.8590000 0.8578000 
1 1 1  -18    8   28 o   10.910   0.3823   10.910   0.3823  ?   ?       ?      ? 
1 1 1  -18    8   29 f   7.6190   0.5260   7.9830   0.5019   7.2550   0.9245 0.7279000 1.052000 
1 1 1  -18    8   30 o   6.5520   0.6417   6.5430   0.7072   6.5620   1.0710 -0.1859000E-01 1.283000 
1 1 1  -18    8   31 o   5.1170   0.6217   5.1200   0.9102   5.1150   0.8470 0.4438000E-02 1.243000 
1 1 1  -18    8   32 f   10.730   0.3161   10.640   0.4310   10.820   0.4625 -0.1785000 0.6322000 
1 1 1  -18    8   33 f   2.5100   0.7275   2.1610   0.9595   2.8590   1.0940 -0.6981000 1.455000 
1 1 1  -18   10    1 o   28.410   0.2015   28.640   0.2857   28.180   0.2842 0.4584000 0.4029000 
1 1 1  -18   10    2 o   40.940   0.2570   40.930   0.3630   40.960   0.3638 -0.3065000E-01 0.5139000 
1 1 1  -18   10    3 o   17.580   0.1813   17.110   0.2565   18.050   0.2562 -0.9441000 0.3625000 
1 1 1  -18   10    4 o   25.590   0.1923   25.880   0.2731   25.300   0.2706 0.5746000 0.3845000 
1 1 1  -18   10    5 o   11.580   0.2107   11.170   0.3074   12.000   0.2883 -0.8325000 0.4215000 
1 1 1  -18   10    6 o   17.040   0.2254   18.200   0.3169   15.880   0.3207 2.314000 0.4509000 
1 1 1  -18   10    7 o   36.970   0.2231   37.000   0.3384   36.930   0.2909 0.6738000E-01 0.4463000 
1 1 1  -18   10    8 o   31.910   0.2324   32.430   0.3831   31.390   0.2632 1.039000 0.4648000 
1 1 1  -18   10    9 o   32.090   0.2206   32.130   0.3134   32.050   0.3106 0.7202000E-01 0.4412000 
1 1 1  -18   10   10 o   39.160   0.2528   39.320   0.3589   38.990   0.3561 0.3331000 0.5056000 
1 1 1  -18   10   11 o   31.790   0.2518   32.610   0.3940   30.970   0.3135 1.640000 0.5035000 
1 1 1  -18   10   12 f   16.200   0.2146   16.200   0.3018   16.200   0.3053 0.6866000E-03 0.4293000 
1 1 1  -18   10   13 o   61.360   0.3685   61.440   0.5229   61.270   0.5194 0.1765000 0.7370000 
1 1 1  -18   10   14 o   29.830   0.2463   29.610   0.3809   30.050   0.3124 -0.4377000 0.4926000 
1 1 1  -18   10   15 f   31.790   0.3410   31.300   0.5530   32.280   0.3992 -0.9810000 0.6820000 
1 1 1  -18   10   16 o   35.290   0.2449   35.220   0.3485   35.370   0.3442 -0.1541000 0.4898000 
1 1 1  -18   10   17 o   33.340   0.2380   33.600   0.3417   33.080   0.3312 0.5187000 0.4759000 
1 1 1  -18   10   18 o   15.440   0.3239  ?   ?    15.440   0.3239      ?      ? 
1 1 1  -18   10   19 o   7.9410   0.3829   7.8370   0.5740   8.0450   0.5069 -0.2087000 0.7658000 
1 1 1  -18   10   20 o   3.8070   0.7291   4.0510   1.0360   3.5630   1.0260 0.4885000 1.458000 
1 1 1  -18   10   21 o   13.550   0.3209   13.590   0.4888   13.520   0.4158 0.6527000E-01 0.6417000 
1 1 1  -18   10   22 o   4.7580   0.6262   4.2960   0.9828   5.2210   0.7763 -0.9252000 1.252000 
1 1 1  -18   10   23 o   7.6800   0.4363   7.3140   0.5906   8.0450   0.6422 -0.7314000 0.8725000 
1 1 1  -18   10   24 o   16.830   0.2332   16.830   0.3354   16.830   0.3242 0.6754000E-02 0.4665000 
1 1 1  -18   10   25 o   9.2730   0.3328   9.1810   0.4803   9.3650   0.4608 -0.1835000 0.6656000 
1 1 1  -18   10   26 o   5.2030   0.5356   5.0300   0.7455   5.3750   0.7692 -0.3446000 1.071000 
1 1 1  -18   10   27 o   10.730   0.2896   10.600   0.3987   10.860   0.4200 -0.2640000 0.5791000 
1 1 1  -18   10   28 o   9.0570   0.3350   9.4950   0.4349   8.6190   0.5096 0.8767000 0.6700000 
1 1 1  -18   10   29 o   11.370   0.3510   11.180   0.4578   11.560   0.5323 -0.3763000 0.7021000 
1 1 1  -18   10   30 o   2.9240   0.8016   3.1510   1.0520   2.6970   1.2100 0.4542000 1.603000 
1 1 1  -18   10   31 o   6.9380   0.5238   7.3450   0.6643   6.5300   0.8101 0.8149000 1.048000 
1 1 1  -18   10   32 o   2.0280   0.6546   1.8830   0.8788   2.1740   0.9706 -0.2910000 1.309000 
1 1 1  -18   12    1 o   12.030   0.1994   12.330   0.2802   11.730   0.2838 0.6020000 0.3989000 
1 1 1  -18   12    2 o   4.1080   0.5118   4.0430   0.7378   4.1720   0.7096 -0.1285000 1.024000 
1 1 1  -18   12    3 f   40.380   0.2235   40.460   0.3162   40.310   0.3159 0.1433000 0.4469000 
1 1 1  -18   12    4 o   18.570   0.1799   18.930   0.2693   18.210   0.2386 0.7198000 0.3598000 
1 1 1  -18   12    5 o   25.790   0.1878   25.880   0.2814   25.690   0.2487 0.1892000 0.3755000 
1 1 1  -18   12    6 o   14.000   0.2055   13.770   0.3130   14.230   0.2664 -0.4614000 0.4111000 
1 1 1  -18   12    7 o   26.810   0.1933   26.870   0.2924   26.750   0.2530 0.1121000 0.3867000 
1 1 1  -18   12    8 o   16.270   0.1988   16.450   0.3005   16.090   0.2604 0.3627000 0.3976000 
1 1 1  -18   12    9 o   33.690   0.2177   33.960   0.3307   33.410   0.2833 0.5553000 0.4354000 
1 1 1  -18   12   10 o   49.180   0.3057   49.200   0.4324   49.170   0.4321 0.3333000E-01 0.6113000 
1 1 1  -18   12   11 o   51.660   0.3192   51.280   0.4497   52.050   0.4530 -0.7723000 0.6383000 
1 1 1  -18   12   12 o   46.620   0.4435   47.320   0.7281   45.910   0.5065 1.416000 0.8869000 
1 1 1  -18   12   13 f   26.630   0.3289   26.760   0.5288   26.500   0.3911 0.2577000 0.6577000 
1 1 1  -18   12   14 o   18.910   0.2247   19.230   0.3181   18.580   0.3174 0.6428000 0.4494000 
1 1 1  -18   12   15 o   25.890   0.2206   25.850   0.3140   25.920   0.3099 -0.6927000E-01 0.4412000 
1 1 1  -18   12   16 o   29.140   0.2753   29.450   0.3948   28.830   0.3838 0.6268000 0.5506000 
1 1 1  -18   12   17 o   21.000   0.2446   21.020   0.3820   20.970   0.3057 0.5472000E-01 0.4893000 
1 1 1  -18   12   18 o   14.420   0.2501   14.880   0.3489   13.950   0.3585 0.9284000 0.5003000 
1 1 1  -18   12   19 o   13.240   0.3247   13.580   0.4809   12.910   0.4362 0.6689000 0.6493000 
1 1 1  -18   12   20 o   17.650   0.2306   18.000   0.3321   17.310   0.3200 0.6889000 0.4612000 
1 1 1  -18   12   21 o   14.360   0.2561   14.680   0.3686   14.040   0.3555 0.6389000 0.5121000 
1 1 1  -18   12   22 o   7.9760   0.4360   7.5000   0.6277   8.4510   0.6053 -0.9508000 0.8720000 
1 1 1  -18   12   23 o   2.7930   0.7510   2.5230   1.0490   3.0630   1.0750 -0.5399000 1.502000 
1 1 1  -18   12   24 o   16.000   0.2459   16.030   0.3584   15.970   0.3370 0.6191000E-01 0.4919000 
1 1 1  -18   12   25 o   5.1680   0.5984   5.0670   0.9111   5.2700   0.7761 -0.2030000 1.197000 
1 1 1  -18   12   26 o   6.3280   0.5033   6.0900   0.7723   6.5660   0.6455 -0.4753000 1.007000 
1 1 1  -18   12   27 o   7.4650   0.4332   8.2100   0.5791   6.7190   0.6445 1.491000 0.8665000 
1 1 1  -18   12   28 o   3.5980   0.8350   2.8810   1.1630   4.3150   1.1990 -1.434000 1.670000 
1 1 1  -18   12   29 o   3.2660   0.7527   3.4310   1.0490   3.1020   1.0790 0.3290000 1.505000 
1 1 1  -18   12   30 o   7.2350   0.4640   7.3820   0.6598   7.0890   0.6527 0.2939000 0.9281000 
1 1 1  -18   12   31 o   3.9580   0.8455   4.5590   0.9541   3.3570   1.3960 1.202000 1.691000 
1 1 1  -18   14    1 o   30.910   0.1950   30.930   0.2757   30.890   0.2758 0.3585000E-01 0.3900000 
1 1 1  -18   14    2 o   11.730   0.2246   11.600   0.3202   11.860   0.3149 -0.2586000 0.4491000 
1 1 1  -18   14    3 o   47.940   0.2591   47.900   0.3661   47.980   0.3669 -0.8120000E-01 0.5183000 
1 1 1  -18   14    4 o   15.790   0.1902   15.860   0.2660   15.720   0.2719 0.1374000 0.3804000 
1 1 1  -18   14    5 f   26.880   0.1850   26.740   0.2600   27.030   0.2633 -0.2905000 0.3700000 
1 1 1  -18   14    6 o   30.530   0.3168  ?   ?    30.530   0.3168      ?      ? 
1 1 1  -18   14    7 o   15.280   0.2634   14.930   0.4110   15.630   0.3294 -0.6942000 0.5267000 
1 1 1  -18   14    8 o   19.100   0.2663   18.800   0.3726   19.400   0.3806 -0.5957000 0.5327000 
1 1 1  -18   14    9 o   28.970   0.3152   28.310   0.5426   29.630   0.3210 -1.327000 0.6304000 
1 1 1  -18   14   10 o   30.860   0.2606   30.260   0.4038   31.460   0.3295 -1.203000 0.5212000 
1 1 1  -18   14   11 o   42.240   0.2957   42.440   0.4853   42.040   0.3380 0.4018000 0.5914000 
1 1 1  -18   14   12 o   31.680   0.2359   31.630   0.3348   31.740   0.3323 -0.1114000 0.4717000 
1 1 1  -18   14   13 o   9.8090   0.3324   9.9930   0.4623   9.6250   0.4778 0.3677000 0.6649000 
1 1 1  -18   14   14 o   19.830   0.2561   19.430   0.3928   20.220   0.3287 -0.7895000 0.5122000 
1 1 1  -18   14   15 o   13.020   0.2763   13.510   0.3857   12.540   0.3958 0.9761000 0.5527000 
1 1 1  -18   14   16 o   23.320   0.2265   23.560   0.3219   23.080   0.3188 0.4826000 0.4530000 
1 1 1  -18   14   17 o   8.8430   0.4573   9.1070   0.6693   8.5790   0.6233 0.5283000 0.9146000 
1 1 1  -18   14   18 o   13.180   0.2686   13.490   0.3749   12.870   0.3849 0.6267000 0.5373000 
1 1 1  -18   14   19 o   8.3950   0.3746   8.8240   0.5177   7.9650   0.5416 0.8587000 0.7492000 
1 1 1  -18   14   20 f   16.680   0.2643   16.600   0.3430   16.760   0.4021 -0.1678000 0.5285000 
1 1 1  -18   14   21 o   9.0670   0.3860   9.1820   0.5018   8.9510   0.5868 0.2309000 0.7721000 
1 1 1  -18   14   22 o   5.2720   0.6167   6.8210   0.6544   3.7240   1.0450 3.098000 1.233000 
1 1 1  -18   14   23 f   14.740   0.2542   14.640   0.3677   14.830   0.3512 -0.1958000 0.5085000 
1 1 1  -18   14   24 o   3.0810   0.7670   3.0000   1.1000   3.1620   1.0690 -0.1621000 1.534000 
1 1 1  -18   14   25 o   5.2150   0.6114   5.7680   0.7893   4.6630   0.9339 1.105000 1.223000 
1 1 1  -18   14   26 o   2.7470   0.7617   2.7750   1.0940   2.7190   1.0610 0.5531000E-01 1.523000 
1 1 1  -18   14   27 o   4.9440   0.8223   4.8050   1.2040   5.0840   1.1200 -0.2791000 1.645000 
1 1 1  -18   14   28 o   7.0140   0.4803   7.3010   0.6813   6.7260   0.6773 0.5749000 0.9607000 
1 1 1  -18   14   29 o   2.5750   0.7695   2.7420   1.1520   2.4080   1.0200 0.3332000 1.539000 
1 1 1  -18   14   30 o   2.4290   0.7397   2.5300   1.0820   2.3290   1.0090 0.2012000 1.479000 
1 1 1  -18   16    1 o   21.490   0.1935   21.210   0.2735   21.770   0.2737 -0.5573000 0.3869000 
1 1 1  -18   16    2 o   22.530   0.1929   22.370   0.2732   22.700   0.2723 -0.3328000 0.3857000 
1 1 1  -18   16    3 o   29.240   0.2171   29.690   0.3316   28.790   0.2803 0.9042000 0.4342000 
1 1 1  -18   16    4 o   24.700   0.1920   24.820   0.2720   24.570   0.2709 0.2515000 0.3839000 
1 1 1  -18   16    5 o   22.970   0.1914   23.280   0.2709   22.660   0.2704 0.6208000 0.3827000 
1 1 1  -18   16    6 o   14.140   0.2237   14.120   0.3146   14.160   0.3181 -0.4199000E-01 0.4473000 
1 1 1  -18   16    7 o   7.1410   0.4787   7.8290   0.7329   6.4540   0.6160 1.375000 0.9574000 
1 1 1  -18   16    8 o   13.840   0.3012   13.750   0.4694   13.930   0.3776 -0.1759000 0.6024000 
1 1 1  -18   16    9 f   19.600   0.2616   19.330   0.4113   19.870   0.3235 -0.5473000 0.5233000 
1 1 1  -18   16   10 f   31.580   0.2683   31.420   0.4181   31.730   0.3364 -0.3138000 0.5366000 
1 1 1  -18   16   11 o   11.370   0.3404   11.530   0.5248   11.210   0.4336 0.3141000 0.6808000 
1 1 1  -18   16   12 o   17.070   0.2439   17.420   0.3408   16.720   0.3492 0.7046000 0.4879000 
1 1 1  -18   16   13 o   11.490   0.3679   10.860   0.5549   12.120   0.4833 -1.263000 0.7359000 
1 1 1  -18   16   14 o   3.8190   0.8392   3.0810   1.2110   4.5570   1.1620 -1.475000 1.678000 
1 1 1  -18   16   15 o   15.210   0.2596   15.190   0.3674   15.220   0.3669 -0.2560000E-01 0.5192000 
1 1 1  -18   16   16 o   15.420   0.2576   15.430   0.3608   15.410   0.3678 0.1420000E-01 0.5152000 
1 1 1  -18   16   17 o   5.5580   0.5953   6.4270   0.6872   4.6890   0.9722 1.738000 1.191000 
1 1 1  -18   16   18 o   12.200   0.3243   12.340   0.4170   12.060   0.4969 0.2801000 0.6487000 
1 1 1  -18   16   19 o   6.2530   0.5958   7.1610   0.6138   5.3440   1.0210 1.817000 1.192000 
1 1 1  -18   16   20 o   10.510   0.3190   10.370   0.4606   10.660   0.4415 -0.2902000 0.6380000 
1 1 1  -18   16   21 o   8.6040   0.3719   8.7170   0.5247   8.4920   0.5272 0.2250000 0.7438000 
1 1 1  -18   16   22 o   9.5200   0.3450   9.4140   0.4986   9.6260   0.4770 -0.2118000 0.6901000 
1 1 1  -18   16   23 o   4.2370   0.6645   5.6740   0.7889   2.8000   1.0690 2.874000 1.329000 
1 1 1  -18   16   24 o   15.330   0.2639   15.750   0.3743   14.910   0.3721 0.8460000 0.5278000 
1 1 1  -18   16   25 o   6.3140   0.6457   5.9320   0.9556   6.6970   0.8685 -0.7651000 1.291000 
1 1 1  -18   16   26 o   7.4420   0.4420   8.0540   0.5970   6.8310   0.6519 1.222000 0.8839000 
1 1 1  -18   16   27 o   6.3440   0.5078   6.3000   0.7397   6.3890   0.6958 -0.8818000E-01 1.016000 
1 1 1  -18   16   28 o   2.4930   0.7576   2.4200   1.0870   2.5650   1.0560 -0.1445000 1.515000 
1 1 1  -18   16   29 o   2.3270   0.7168   2.0470   0.9525   2.6070   1.0720 -0.5598000 1.434000 
1 1 1  -18   18    1 o   8.7270   0.3367   8.9560   0.4628   8.4970   0.4893 0.4591000 0.6735000 
1 1 1  -18   18    2 o   21.820   0.2167   21.660   0.3283   21.990   0.2830 -0.3306000 0.4335000 
1 1 1  -18   18    3 o   28.960   0.2043   28.660   0.2884   29.260   0.2894 -0.6067000 0.4085000 
1 1 1  -18   18    4 o   12.890   0.2480   12.460   0.3539   13.320   0.3475 -0.8613000 0.4960000 
1 1 1  -18   18    5 o   10.750   0.3408   10.990   0.5506   10.510   0.4017 0.4783000 0.6816000 
1 1 1  -18   18    6 o   13.680   0.2898   13.750   0.4713   13.600   0.3373 0.1504000 0.5795000 
1 1 1  -18   18    7 o   10.030   0.3261   9.5650   0.5152   10.500   0.3999 -0.9299000 0.6522000 
1 1 1  -18   18    8 o   25.480   0.2574   25.550   0.4016   25.420   0.3221 0.1327000 0.5148000 
1 1 1  -18   18    9 f   20.140   0.2678   20.250   0.4220   20.030   0.3297 0.2208000 0.5355000 
1 1 1  -18   18   10 o   29.670   0.2705   29.570   0.4238   29.760   0.3362 -0.1854000 0.5410000 
1 1 1  -18   18   11 o   14.090   0.2517   13.890   0.3845   14.290   0.3248 -0.3996000 0.5033000 
1 1 1  -18   18   12 o   2.7370   0.7378   2.6100   1.0530   2.8640   1.0330 -0.2541000 1.476000 
1 1 1  -18   18   13 o   5.7930   0.5304   6.7590   0.6751   4.8280   0.8181 1.931000 1.061000 
1 1 1  -18   18   14 o   19.630   0.2199   19.350   0.3313   19.900   0.2893 -0.5523000 0.4399000 
1 1 1  -18   18   15 o   10.430   0.3619   10.500   0.4666   10.360   0.5534 0.1420000 0.7239000 
1 1 1  -18   18   16 o   6.6270   0.5329   6.0260   0.7528   7.2280   0.7546 -1.202000 1.066000 
1 1 1  -18   18   17 o   9.2280   0.3629   8.9550   0.5196   9.5020   0.5067 -0.5465000 0.7258000 
1 1 1  -18   18   18 o   10.020   0.3451   9.9010   0.4917   10.140   0.4845 -0.2430000 0.6903000 
1 1 1  -18   18   19 o   8.6210   0.3924   8.9370   0.5322   8.3050   0.5770 0.6329000 0.7849000 
1 1 1  -18   18   20 o   7.5110   0.4490   7.0580   0.6672   7.9640   0.6010 -0.9062000 0.8980000 
1 1 1  -18   18   21 o   20.400   0.2419   20.220   0.3378   20.590   0.3463 -0.3704000 0.4837000 
1 1 1  -18   18   22 o   13.710   0.2825   13.310   0.4047   14.110   0.3942 -0.8004000 0.5649000 
1 1 1  -18   18   23 o   5.3920   0.7542   5.1270   1.0900   5.6570   1.0420 -0.5296000 1.508000 
1 1 1  -18   18   24 o   5.9070   0.5693   6.2570   0.7549   5.5570   0.8523 0.6998000 1.139000 
1 1 1  -18   18   25 o   10.720   0.3417   10.480   0.4985   10.950   0.4674 -0.4715000 0.6833000 
1 1 1  -18   18   26 o   6.8150   0.5644   7.3760   0.8291   6.2540   0.7659 1.122000 1.129000 
1 1 1  -18   18   27 o   4.5550   0.7839   3.7440   1.2810   5.3660   0.9034 -1.622000 1.568000 
1 1 1  -18   18   28 o   1.9700   0.6875   2.0070   0.9801   1.9320   0.9642 0.7424000E-01 1.375000 
1 1 1  -18   20    1 o   5.7770   0.5110   6.1600   0.6623   5.3940   0.7783 0.7666000 1.022000 
1 1 1  -18   20    2 o   8.5320   0.4737   7.7470   0.8265   9.3160   0.4631 -1.569000 0.9475000 
1 1 1  -18   20    3 o   14.850   0.2918   14.990   0.4767   14.720   0.3365 0.2727000 0.5835000 
1 1 1  -18   20    4 o   11.960   0.3408   11.410   0.5730   12.510   0.3689 -1.100000 0.6815000 
1 1 1  -18   20    5 o   5.7010   0.5102   5.2730   0.7746   6.1290   0.6642 -0.8558000 1.020000 
1 1 1  -18   20    6 o   14.360   0.2339   14.530   0.3233   14.190   0.3381 0.3380000 0.4678000 
1 1 1  -18   20    7 o   16.760   0.2373   16.670   0.3611   16.840   0.3081 -0.1673000 0.4747000 
1 1 1  -18   20    8 o   8.5320   0.3771   8.1120   0.5951   8.9520   0.4633 -0.8393000 0.7541000 
1 1 1  -18   20    9 o   7.9030   0.3986   7.6710   0.6236   8.1350   0.4966 -0.4642000 0.7972000 
1 1 1  -18   20   10 o   4.1090   0.7317   4.1480   1.1050   4.0700   0.9593 0.7818000E-01 1.463000 
1 1 1  -18   20   11 o   17.720   0.2473   17.700   0.3512   17.740   0.3483 -0.3906000E-01 0.4946000 
1 1 1  -18   20   12 o   15.270   0.2598   15.200   0.3683   15.340   0.3664 -0.1444000 0.5195000 
1 1 1  -18   20   13 o   22.920   0.2330   22.930   0.3301   22.910   0.3289 0.1379000E-01 0.4660000 
1 1 1  -18   20   14 o   6.6810   0.4564   7.3950   0.6116   5.9670   0.6776 1.428000 0.9128000 
1 1 1  -18   20   15 o   5.4420   0.5523   5.6500   0.8080   5.2350   0.7531 0.4142000 1.105000 
1 1 1  -18   20   16 o   16.370   0.2394   15.730   0.3673   17.000   0.3071 -1.265000 0.4787000 
1 1 1  -18   20   17 o   9.9890   0.3554   9.8240   0.5054   10.150   0.5000 -0.3302000 0.7109000 
1 1 1  -18   20   18 o   9.3490   0.3659   9.6940   0.4867   9.0050   0.5466 0.6887000 0.7319000 
1 1 1  -18   20   19 o   2.3860   0.6880   1.6320   0.7989   3.1410   1.1200 -1.509000 1.376000 
1 1 1  -18   20   20 o   11.880   0.4037   11.750   0.5551   12.000   0.5864 -0.2562000 0.8075000 
1 1 1  -18   20   21 f   11.540   0.4159   11.710   0.5507   11.360   0.6234 0.3491000 0.8318000 
1 1 1  -18   20   22 o   5.0620   0.6807   4.8460   1.0100   5.2780   0.9129 -0.4319000 1.361000 
1 1 1  -18   20   23 o   10.330   0.3620   10.310   0.5083   10.350   0.5155 -0.4041000E-01 0.7239000 
1 1 1  -18   20   24 o   2.8010   0.8001   3.1990   1.2110   2.4040   1.0460 0.7948000 1.600000 
1 1 1  -18   20   25 o   2.1780   0.7083   2.0710   0.9831   2.2860   1.0200 -0.2145000 1.417000 
1 1 1  -18   20   26 f   3.3700   0.9122   3.5690   1.3290   3.1720   1.2490 0.3962000 1.824000 
1 1 1  -18   22    1 o   12.550   0.3190   12.530   0.5247   12.580   0.3630 -0.4555000E-01 0.6381000 
1 1 1  -18   22    2 o   19.900   0.2130   19.770   0.3033   20.030   0.2992 -0.2571000 0.4260000 
1 1 1  -18   22    3 o   9.8370   0.3636   9.4550   0.5391   10.220   0.4882 -0.7635000 0.7273000 
1 1 1  -18   22    4 o   15.240   0.2698   15.550   0.3800   14.940   0.3832 0.6104000 0.5397000 
1 1 1  -18   22    5 o   10.420   0.2951   10.480   0.4153   10.360   0.4194 0.1162000 0.5902000 
1 1 1  -18   22    6 o   4.0750   0.6749   3.4290   1.0330   4.7220   0.8686 -1.293000 1.350000 
1 1 1  -18   22    7 o   2.2460   0.6922   2.3080   1.0050   2.1850   0.9524 0.1227000 1.384000 
1 1 1  -18   22    8 o   14.730   0.2516   14.910   0.3780   14.560   0.3322 0.3417000 0.5032000 
1 1 1  -18   22    9 o   18.420   0.2309   18.200   0.3532   18.640   0.2976 -0.4366000 0.4618000 
1 1 1  -18   22   10 o   12.590   0.2805   12.720   0.4293   12.450   0.3612 0.2779000 0.5610000 
1 1 1  -18   22   11 o   19.710   0.2292   19.440   0.3485   19.990   0.2978 -0.5558000 0.4584000 
1 1 1  -18   22   12 f   12.010   0.2820   12.140   0.4251   11.880   0.3706 0.2597000 0.5640000 
1 1 1  -18   22   13 o   4.5650   0.6653   4.2550   1.0490   4.8750   0.8188 -0.6200000 1.331000 
1 1 1  -18   22   14 o   6.4750   0.4703   6.6230   0.7029   6.3270   0.6250 0.2968000 0.9406000 
1 1 1  -18   22   15 o   5.0190   0.6146   6.3050   0.7151   3.7330   0.9998 2.572000 1.229000 
1 1 1  -18   22   16 o   9.4220   0.3392   9.5640   0.5079   9.2800   0.4497 0.2840000 0.6784000 
1 1 1  -18   22   17 o   4.9950   0.7458   5.2190   1.0790   4.7700   1.0300 0.4485000 1.492000 
1 1 1  -18   22   18 o   6.3440   0.6134   6.1040   0.9473   6.5830   0.7796 -0.4783000 1.227000 
1 1 1  -18   22   19 o   2.9060   0.7755   3.2540   1.1240   2.5580   1.0680 0.6967000 1.551000 
1 1 1  -18   22   20 o   8.9120   0.3936   9.1130   0.5429   8.7120   0.5701 0.4008000 0.7872000 
1 1 1  -18   22   21 o   2.0220   0.6623   2.0550   0.9471   1.9900   0.9260 0.6480000E-01 1.325000 
1 1 1  -18   22   22 o   2.7680   0.7823   2.3990   1.0840   3.1370   1.1290 -0.7381000 1.565000 
1 1 1  -18   22   23 o   4.7420   0.8102   5.6270   1.1360   3.8580   1.1560 1.769000 1.620000 
1 1 1  -18   22   24 o   2.1840   0.7287   2.4440   1.1210   1.9250   0.9309 0.5187000 1.457000 
1 1 1  -18   24    1 o   2.9340   0.7176   3.4770   1.0360   2.3910   0.9930 1.086000 1.435000 
1 1 1  -18   24    2 o   12.420   0.2615   12.070   0.3762   12.770   0.3634 -0.7013000 0.5231000 
1 1 1  -18   24    3 o   2.8660   0.7381   2.6430   1.0280   3.0880   1.0590 -0.4445000 1.476000 
1 1 1  -18   24    4 o   10.720   0.2941   11.030   0.4057   10.410   0.4258 0.6153000 0.5882000 
1 1 1  -18   24    5 o   21.290   0.2100   21.430   0.2960   21.140   0.2981 0.2841000 0.4201000 
1 1 1  -18   24    6 o   10.140   0.3004   10.200   0.4231   10.090   0.4265 0.1094000 0.6007000 
1 1 1  -18   24    7 o   7.1550   0.4590   6.3150   0.7534   7.9950   0.5246 -1.681000 0.9181000 
1 1 1  -18   24    8 o   3.2580   0.7738   3.3550   1.1340   3.1610   1.0530 0.1938000 1.548000 
1 1 1  -18   24    9 o   10.990   0.3182   10.570   0.5041   11.410   0.3884 -0.8395000 0.6363000 
1 1 1  -18   24   10 o   7.9380   0.4017   8.1400   0.6136   7.7370   0.5187 0.4031000 0.8035000 
1 1 1  -18   24   11 o   5.7930   0.5606   5.2410   0.9300   6.3450   0.6263 -1.104000 1.121000 
1 1 1  -18   24   12 o   2.8570   0.8076   3.1380   1.2080   2.5770   1.0730 0.5606000 1.615000 
1 1 1  -18   24   13 o   8.6810   0.4451   8.3930   0.6948   8.9700   0.5565 -0.5772000 0.8902000 
1 1 1  -18   24   14 o   4.0600   0.7911   3.1860   1.2220   4.9340   1.0050 -1.749000 1.582000 
1 1 1  -18   24   15 o   8.3270   0.3928   8.8380   0.5578   7.8160   0.5531 1.021000 0.7855000 
1 1 1  -18   24   16 o   1.9580   0.6430   2.0810   0.9564   1.8360   0.8596 0.2444000 1.286000 
1 1 1  -18   24   17 o   8.5620   0.4035   7.8460   0.6477   9.2780   0.4813 -1.432000 0.8070000 
1 1 1  -18   24   18 o   5.6770   0.6002   4.6560   1.0120   6.6990   0.6450 -2.043000 1.200000 
1 1 1  -18   24   19 o   5.0790   0.7777   5.0940   1.1500   5.0630   1.0470 0.3082000E-01 1.555000 
1 1 1  -18   24   20 o   7.7450   0.5387   7.4100   0.8465   8.0790   0.6666 -0.6688000 1.077000 
1 1 1  -18   24   21 o   1.9690   0.6775   2.1160   1.0120   1.8230   0.9013 0.2933000 1.355000 
1 1 1  -18   26    1 o   7.5800   0.4573   7.7480   0.6231   7.4110   0.6696 0.3368000 0.9146000 
1 1 1  -18   26    2 o   7.3120   0.4692   7.2430   0.6620   7.3810   0.6651 -0.1387000 0.9384000 
1 1 1  -18   26    3 o   5.7630   0.6069   6.3860   0.7536   5.1390   0.9516 1.247000 1.214000 
1 1 1  -18   26    4 o   7.7720   0.4453   7.5020   0.6534   8.0410   0.6052 -0.5390000 0.8906000 
1 1 1  -18   26    5 o   10.030   0.3578   10.270   0.4947   9.7920   0.5172 0.4802000 0.7157000 
1 1 1  -18   26    6 o   3.6160   0.7824   3.1550   1.1260   4.0780   1.0870 -0.9227000 1.565000 
1 1 1  -18   26    7 o   2.9450   0.7679   3.0470   1.1320   2.8430   1.0380 0.2042000 1.536000 
1 1 1  -18   26    8 o   2.8440   0.7638   2.9330   1.1190   2.7550   1.0400 0.1781000 1.528000 
1 1 1  -18   26    9 o   1.9160   0.6365   2.0000   0.9420   1.8310   0.8563 0.1685000 1.273000 
1 1 1  -18   26   10 o   5.8350   0.5773   7.1730   0.7156   4.4980   0.9061 2.675000 1.155000 
1 1 1  -18   26   11 o   3.1730   0.7862   3.0690   1.1620   3.2760   1.0590 -0.2065000 1.572000 
1 1 1  -18   26   12 o   3.4620   0.7761   3.6680   1.1420   3.2550   1.0510 0.4129000 1.552000 
1 1 1  -18   26   13 o   2.8870   0.7550   2.6030   1.0740   3.1710   1.0610 -0.5683000 1.510000 
1 1 1  -18   26   14 o   4.8640   0.6677   5.1780   0.9574   4.5490   0.9310 0.6290000 1.335000 
1 1 1  -18   26   15 o   6.5520   0.6588   5.4300   1.1350   7.6740   0.6695 -2.245000 1.318000 
1 1 1  -18   26   16 o   3.9920   0.8594   4.3040   1.2390   3.6800   1.1920 0.6245000 1.719000 
1 1 1  -18   26   17 o   3.8520   0.8861   3.5150   1.3290   4.1880   1.1720 -0.6732000 1.772000 
1 1 1  -18   26   18 o   3.0290   0.7422   1.9580   0.9526   4.1010   1.1380 -2.143000 1.484000 
1 1 1  -18   28    1 o   4.5740   0.7605   5.1200   1.0100   4.0290   1.1380 1.091000 1.521000 
1 1 1  -18   28    2 o   2.8260   0.7855   2.3500   1.0410   3.3010   1.1760 -0.9507000 1.571000 
1 1 1  -18   28    3 o   5.3450   0.6909   4.9300   1.0490   5.7590   0.8999 -0.8290000 1.382000 
1 1 1  -18   28    4 o   2.2850   0.7111   2.7320   1.1140   1.8370   0.8835 0.8957000 1.422000 
1 1 1  -18   28    5 o   8.4820   0.4403   8.1420   0.6511   8.8220   0.5928 -0.6806000 0.8805000 
1 1 1  -18   28    6 o   2.2420   0.7138   2.4550   1.0650   2.0290   0.9504 0.4256000 1.428000 
1 1 1  -18   28    7 o   6.6720   0.6587   6.0360   1.1100   7.3070   0.7087 -1.271000 1.317000 
1 1 1  -18   28    8 o   7.1820   0.6071   6.4050   1.0270   7.9600   0.6474 -1.555000 1.214000 
1 1 1  -18   28    9 f   2.8680   0.8136   2.4650   1.1340   3.2720   1.1670 -0.8066000 1.627000 
1 1 1  -18   28   10 o   2.9930   0.8560   3.0260   1.2750   2.9590   1.1430 0.6634000E-01 1.712000 
1 1 1  -18   28   11 o   2.1660   0.7112   2.0460   0.9966   2.2870   1.0150 -0.2408000 1.422000 
1 1 1  -18   28   12 o   3.8640   0.7936   2.8350   1.2240   4.8930   1.0100 -2.058000 1.587000 
1 1 1  -18   28   13 o   5.5770   0.7158   6.0620   1.0550   5.0920   0.9680 0.9692000 1.432000 
1 1 1  -18   28   14 o   3.2490   0.7597   2.6900   1.1060   3.8080   1.0420 -1.118000 1.519000 
1 1 1  -18   30    1 o   2.7020   0.7597   2.7490   1.0880   2.6550   1.0610 0.9364000E-01 1.519000 
1 1 1  -18   30    2 o   2.3240   0.7015   2.6490   1.0630   1.9990   0.9156 0.6507000 1.403000 
1 1 1  -18   30    3 o   2.6810   0.7223   3.3340   1.1100   2.0270   0.9241 1.307000 1.445000 
1 1 1  -18   30    4 o   6.0640   0.5283   5.7130   0.8059   6.4140   0.6834 -0.7006000 1.057000 
1 1 1  -18   30    5 o   2.0530   0.6585   2.0480   0.9319   2.0570   0.9306 -0.9388000E-02 1.317000 
1 1 1  -18   30    6 o   2.0800   0.6503   2.6560   1.0670   1.5030   0.7434 1.153000 1.301000 
1 1 1  -18   30    7 o   2.6860   0.7609   2.3340   1.0400   3.0390   1.1110 -0.7047000 1.522000 
1 1 1  -17    1    1 o   44.070   0.2857   43.820   0.4409   44.310   0.3636 -0.4913000 0.5715000 
1 1 1  -17    1    2 o   39.010   0.3140   39.280   0.5635   38.750   0.2774 0.5389000 0.6281000 
1 1 1  -17    1    3 o   33.210   0.2398   33.270   0.3395   33.140   0.3388 0.1213000 0.4796000 
1 1 1  -17    1    4 o   27.590   0.2323  ?   ?    27.590   0.2323      ?      ? 
1 1 1  -17    1    5 o   39.350   0.1986   39.350   0.2808   39.360   0.2808 -0.3876000E-02 0.3971000 
1 1 1  -17    1    6 o   24.050   0.1487   23.930   0.2095   24.170   0.2110 -0.2441000 0.2973000 
1 1 1  -17    1    7 o   22.430   0.2528   22.430   0.2528  ?   ?       ?      ? 
1 1 1  -17    1    8 o   17.070   0.1569   18.180   0.2301   15.970   0.2135 2.202000 0.3138000 
1 1 1  -17    1    9 o   13.170   0.1135   13.110   0.1604   13.240   0.1606 -0.1276000 0.2270000 
1 1 1  -17    1   10 o   26.040   0.1471   25.850   0.2071   26.230   0.2091 -0.3777000 0.2943000 
1 1 1  -17    1   11 o   34.820   0.1859   35.030   0.2643   34.600   0.2614 0.4330000 0.3717000 
1 1 1  -17    1   12 o   37.780   0.2837   37.870   0.4021   37.690   0.4003 0.1835000 0.5674000 
1 1 1  -17    1   13 o   16.880   0.1768   17.660   0.2724   16.100   0.2256 1.561000 0.3537000 
1 1 1  -17    1   14 o   12.270   0.1682   11.990   0.2550   12.540   0.2194 -0.5560000 0.3364000 
1 1 1  -17    1   15 o   14.650   0.1588   14.900   0.2224   14.390   0.2267 0.5132000 0.3176000 
1 1 1  -17    1   16 o   31.860   0.1859   32.020   0.2641   31.690   0.2618 0.3238000 0.3719000 
1 1 1  -17    1   17 o   43.450   0.2532   43.390   0.3826   43.520   0.3319 -0.1254000 0.5064000 
1 1 1  -17    1   18 o   32.660   0.1938   32.830   0.2748   32.480   0.2733 0.3539000 0.3875000 
1 1 1  -17    1   19 o   27.090   0.1811   27.240   0.2566   26.940   0.2555 0.2959000 0.3621000 
1 1 1  -17    1   20 o   15.520   0.2655   15.800   0.3715   15.250   0.3793 0.5566000 0.5309000 
1 1 1  -17    1   21 o   13.540   0.2081   13.800   0.2904   13.270   0.2983 0.5323000 0.4163000 
1 1 1  -17    1   22 o   17.330   0.1882   17.320   0.2657   17.340   0.2666 -0.1369000E-01 0.3764000 
1 1 1  -17    1   23 o   16.070   0.1982   16.140   0.2827   16.000   0.2778 0.1434000 0.3964000 
1 1 1  -17    1   24 o   11.920   0.3921   11.170   0.6995   12.670   0.3546 -1.497000 0.7842000 
1 1 1  -17    1   25 o   3.4120   1.1830   3.4120   1.1830  ?   ?       ?      ? 
1 1 1  -17    1   26 o   5.4000   0.6882   4.7070   0.7717   6.0930   1.1400 -1.386000 1.376000 
1 1 1  -17    1   27 o   22.070   0.2330   22.360   0.2717   21.770   0.3784 0.5965000 0.4659000 
1 1 1  -17    1   28 o   4.2960   0.6610   3.9880   0.9274   4.6040   0.9421 -0.6167000 1.322000 
1 1 1  -17    1   29 o   11.550   0.2734   11.440   0.3638   11.670   0.4082 -0.2355000 0.5468000 
1 1 1  -17    1   30 o   9.2440   0.3285   9.1100   0.4393   9.3770   0.4884 -0.2665000 0.6569000 
1 1 1  -17    1   31 o   4.0530   0.7044   4.0270   0.9512   4.0790   1.0390 -0.5211000E-01 1.409000 
1 1 1  -17    1   32 f   12.160   0.3760   11.520   0.5528   12.800   0.5097 -1.273000 0.7519000 
1 1 1  -17    1   33 o   9.0840   0.3478   9.4500   0.4468   8.7180   0.5332 0.7323000 0.6957000 
1 1 1  -17    1   34 o   7.1590   0.4454   7.0710   0.5939   7.2470   0.6640 -0.1759000 0.8909000 
1 1 1  -17    3    1 o   9.0190   0.1104   9.0100   0.1608   9.0270   0.1514 -0.1742000E-01 0.2208000 
1 1 1  -17    3    2 o   25.790   0.1579   25.860   0.2235   25.710   0.2231 0.1503000 0.3158000 
1 1 1  -17    3    3 o   31.740   0.2678  ?   ?    31.740   0.2678      ?      ? 
1 1 1  -17    3    4 o   37.180   0.2453   36.920   0.3783   37.440   0.3123 -0.5129000 0.4906000 
1 1 1  -17    3    5 o   20.380   0.1568   20.540   0.1972   20.220   0.2439 0.3242000 0.3136000 
1 1 1  -17    3    6 o   41.010   0.2429   40.790   0.3422   41.230   0.3449 -0.4361000 0.4859000 
1 1 1  -17    3    7 o   12.470   0.1471   12.560   0.2290   12.370   0.1848 0.1841000 0.2943000 
1 1 1  -17    3    8 o   3.1730   0.4140   2.7020   0.6686   3.6440   0.4885 -0.9426000 0.8280000 
1 1 1  -17    3    9 o   34.390   0.1972   34.590   0.2597   34.190   0.2970 0.4013000 0.3945000 
1 1 1  -17    3   10 o   22.600   0.1785   22.350   0.2248   22.850   0.2773 -0.4933000 0.3570000 
1 1 1  -17    3   11 o   22.890   0.2321   22.890   0.2321  ?   ?       ?      ? 
1 1 1  -17    3   12 o   41.440   0.2822   41.440   0.3570   41.450   0.4371 -0.1205000E-01 0.5644000 
1 1 1  -17    3   13 o   27.170   0.1751   26.940   0.2280   27.400   0.2659 -0.4606000 0.3503000 
1 1 1  -17    3   14 o   35.550   0.2117   35.610   0.2777   35.490   0.3195 0.1208000 0.4233000 
1 1 1  -17    3   15 o   29.850   0.1922   29.700   0.2511   30.010   0.2911 -0.3088000 0.3844000 
1 1 1  -17    3   16 o   29.100   0.1928   29.250   0.2537   28.950   0.2905 0.3032000 0.3856000 
1 1 1  -17    3   17 o   41.060   0.2429   41.210   0.3194   40.920   0.3659 0.2910000 0.4857000 
1 1 1  -17    3   18 o   43.000   0.2531   43.130   0.3325   42.860   0.3818 0.2729000 0.5063000 
1 1 1  -17    3   19 o   21.800   0.2273   21.620   0.2902   21.970   0.3500 -0.3518000 0.4547000 
1 1 1  -17    3   20 f   13.390   0.2408   13.770   0.3460   13.010   0.3349 0.7581000 0.4816000 
1 1 1  -17    3   21 o   12.020   0.2414   12.300   0.3213   11.740   0.3603 0.5664000 0.4828000 
1 1 1  -17    3   22 o   18.060   0.2413   18.210   0.3781   17.900   0.3000 0.3103000 0.4826000 
1 1 1  -17    3   23 o   18.220   0.2410   18.440   0.3762   18.010   0.3011 0.4258000 0.4819000 
1 1 1  -17    3   24 o   3.0700   0.7962   2.7440   1.1410   3.3970   1.1110 -0.6530000 1.592000 
1 1 1  -17    3   25 o   3.4510   0.7692   3.7790   1.0130   3.1230   1.1580 0.6558000 1.538000 
1 1 1  -17    3   26 o   2.6020   0.6789   2.0020   0.8808   3.2020   1.0330 -1.199000 1.358000 
1 1 1  -17    3   27 o   9.7320   0.4088   9.3220   0.4090   10.140   0.7080 -0.8198000 0.8176000 
1 1 1  -17    3   28 o   4.1760   0.7965   3.3570   0.9933   4.9950   1.2460 -1.639000 1.593000 
1 1 1  -17    3   29 o   8.7120   0.3433   8.9170   0.4359   8.5070   0.5304 0.4102000 0.6865000 
1 1 1  -17    3   30 o   2.9090   0.7410   2.4690   0.9940   3.3490   1.0990 -0.8796000 1.482000 
1 1 1  -17    3   31 o   3.8740   0.6640   2.5490   1.0080   5.1980   0.8640 -2.649000 1.328000 
1 1 1  -17    3   32 o   6.0840   0.6133   5.8300   0.8165   6.3370   0.9154 -0.5079000 1.227000 
1 1 1  -17    3   33 o   3.4560   0.7629   3.6750   1.0310   3.2370   1.1250 0.4382000 1.526000 
1 1 1  -17    3   34 o   2.6670   0.7483   2.6240   1.0310   2.7100   1.0850 -0.8555000E-01 1.497000 
1 1 1  -17    5    1 o   31.290   0.1961   31.020   0.2746   31.560   0.2801 -0.5440000 0.3923000 
1 1 1  -17    5    2 f   25.200   0.1860   25.680   0.2388   24.730   0.2853 0.9541000 0.3721000 
1 1 1  -17    5    3 o   9.6290   0.1595   9.8010   0.2206   9.4560   0.2304 0.3458000 0.3190000 
1 1 1  -17    5    4 o   44.060   0.2940   44.240   0.4575   43.870   0.3692 0.3635000 0.5879000 
1 1 1  -17    5    5 f   13.570   0.1782   13.920   0.2523   13.230   0.2516 0.6830000 0.3564000 
1 1 1  -17    5    6 o   21.430   0.1558   21.620   0.2210   21.230   0.2196 0.3910000 0.3116000 
1 1 1  -17    5    7 o   30.490   0.1940   30.600   0.2755   30.380   0.2733 0.2148000 0.3881000 
1 1 1  -17    5    8 o   26.450   0.2161   26.300   0.3067   26.610   0.3045 -0.3102000 0.4322000 
1 1 1  -17    5    9 o   14.280   0.1975   14.340   0.2899   14.220   0.2684 0.1141000 0.3951000 
1 1 1  -17    5   10 o   38.240   0.2360   37.850   0.3315   38.630   0.3359 -0.7784000 0.4720000 
1 1 1  -17    5   11 o   46.150   0.3111   46.410   0.3964   45.890   0.4797 0.5258000 0.6222000 
1 1 1  -17    5   12 o   23.220   0.1774   23.180   0.2523   23.250   0.2496 -0.6648000E-01 0.3549000 
1 1 1  -17    5   13 o   43.270   0.2658   43.420   0.3779   43.120   0.3739 0.2972000 0.5316000 
1 1 1  -17    5   14 o   24.770   0.1894   24.740   0.2707   24.790   0.2651 -0.5045000E-01 0.3789000 
1 1 1  -17    5   15 o   11.330   0.2191   11.680   0.2821   10.970   0.3353 0.7106000 0.4382000 
1 1 1  -17    5   16 o   4.2310   0.5490   4.3690   0.7022   4.0940   0.8442 0.2745000 1.098000 
1 1 1  -17    5   17 o   26.330   0.1907   26.530   0.2528   26.120   0.2856 0.4137000 0.3814000 
1 1 1  -17    5   18 o   19.550   0.2082   19.860   0.2973   19.230   0.2914 0.6238000 0.4163000 
1 1 1  -17    5   19 o   34.650   0.2660   35.030   0.3401   34.260   0.4091 0.7690000 0.5320000 
1 1 1  -17    5   20 o   12.650   0.2516   12.320   0.3735   12.970   0.3373 -0.6481000 0.5032000 
1 1 1  -17    5   21 o   17.170   0.2431   17.430   0.3820   16.910   0.3010 0.5118000 0.4863000 
1 1 1  -17    5   22 o   12.790   0.2836   13.450   0.4374   12.130   0.3612 1.324000 0.5673000 
1 1 1  -17    5   23 o   11.010   0.3077   10.910   0.4343   11.120   0.4361 -0.2119000 0.6154000 
1 1 1  -17    5   24 o   5.2760   0.6284   4.3880   0.9560   6.1640   0.8160 -1.776000 1.257000 
1 1 1  -17    5   25 o   11.610   0.2554   11.660   0.3475   11.550   0.3744 0.1109000 0.5109000 
1 1 1  -17    5   26 o   8.5490   0.3217   8.3340   0.4463   8.7640   0.4634 -0.4301000 0.6434000 
1 1 1  -17    5   27 o   3.6970   0.6639   4.5020   0.8171   2.8910   1.0470 1.611000 1.328000 
1 1 1  -17    5   28 o   11.890   0.3674   12.460   0.3418   11.330   0.6504 1.124000 0.7348000 
1 1 1  -17    5   29 o   8.7820   0.4721   9.6570   0.4182   7.9070   0.8466 1.749000 0.9442000 
1 1 1  -17    5   30 o   3.1000   0.7310   2.5900   1.0060   3.6100   1.0610 -1.020000 1.462000 
1 1 1  -17    5   31 o   1.9900   0.6669   1.8420   0.8739   2.1370   1.0080 -0.2952000 1.334000 
1 1 1  -17    5   32 o   6.9260   0.4859   7.4710   0.6415   6.3800   0.7301 1.091000 0.9718000 
1 1 1  -17    5   33 f   6.2170   0.5021   6.1870   0.6663   6.2460   0.7514 -0.5852000E-01 1.004000 
1 1 1  -17    7    1 o   2.5940   0.5256   2.6530   0.7468   2.5360   0.7397 0.1171000 1.051000 
1 1 1  -17    7    2 o   19.580   0.1524   19.400   0.2157   19.750   0.2154 -0.3528000 0.3049000 
1 1 1  -17    7    3 o   25.070   0.1716   25.030   0.2434   25.100   0.2421 -0.7139000E-01 0.3433000 
1 1 1  -17    7    4 o   22.780   0.1643   22.680   0.2331   22.880   0.2317 -0.2023000 0.3287000 
1 1 1  -17    7    5 o   6.6650   0.2776   7.0390   0.4155   6.2920   0.3682 0.7477000 0.5551000 
1 1 1  -17    7    6 o   22.330   0.1873   22.620   0.2942   22.040   0.2319 0.5760000 0.3746000 
1 1 1  -17    7    7 o   30.530   0.2010   30.700   0.2862   30.350   0.2824 0.3480000 0.4020000 
1 1 1  -17    7    8 o   14.830   0.1711   14.920   0.2394   14.750   0.2446 0.1689000 0.3423000 
1 1 1  -17    7    9 o   43.650   0.2670   43.960   0.3795   43.340   0.3757 0.6193000 0.5340000 
1 1 1  -17    7   10 o   15.540   0.1934   15.430   0.2517   15.650   0.2937 -0.2225000 0.3868000 
1 1 1  -17    7   11 o   51.890   0.3116   51.620   0.4392   52.160   0.4422 -0.5415000 0.6232000 
1 1 1  -17    7   12 o   5.9150   0.3720   5.9900   0.5390   5.8400   0.5129 0.1500000 0.7441000 
1 1 1  -17    7   13 o   67.240   0.3972   67.470   0.5643   67.020   0.5591 0.4473000 0.7944000 
1 1 1  -17    7   14 o   63.170   0.3758   63.060   0.5313   63.280   0.5315 -0.2220000 0.7515000 
1 1 1  -17    7   15 o   46.330   0.2873   46.480   0.4087   46.170   0.4039 0.3172000 0.5746000 
1 1 1  -17    7   16 o   44.830   0.2812   45.140   0.4019   44.520   0.3933 0.6164000 0.5623000 
1 1 1  -17    7   17 o   29.340   0.2688   29.910   0.3880   28.760   0.3722 1.152000 0.5377000 
1 1 1  -17    7   18 o   29.690   0.2745   29.490   0.3912   29.890   0.3852 -0.4059000 0.5490000 
1 1 1  -17    7   19 o   30.110   0.2504   30.290   0.3911   29.930   0.3129 0.3629000 0.5009000 
1 1 1  -17    7   20 o   30.830   0.3196  ?   ?    30.830   0.3196      ?      ? 
1 1 1  -17    7   21 o   8.7650   0.3129   8.8960   0.4231   8.6330   0.4613 0.2631000 0.6259000 
1 1 1  -17    7   22 f   18.480   0.2392   18.520   0.3192   18.440   0.3563 0.8488000E-01 0.4784000 
1 1 1  -17    7   23 o   18.130   0.2439   18.220   0.3218   18.050   0.3666 0.1686000 0.4878000 
1 1 1  -17    7   24 o   9.6470   0.3527   9.8080   0.4495   9.4860   0.5435 0.3224000 0.7053000 
1 1 1  -17    7   25 o   15.990   0.2191   16.620   0.2901   15.370   0.3285 1.246000 0.4383000 
1 1 1  -17    7   26 o   4.5070   0.6037   4.9810   0.7450   4.0320   0.9501 0.9483000 1.207000 
1 1 1  -17    7   27 o   9.2770   0.3098   9.5180   0.4213   9.0360   0.4544 0.4812000 0.6197000 
1 1 1  -17    7   28 o   7.5800   0.3798   6.6720   0.5829   8.4890   0.4870 -1.817000 0.7596000 
1 1 1  -17    7   29 o   7.4400   0.4658   8.0720   0.5045   6.8080   0.7831 1.264000 0.9316000 
1 1 1  -17    7   30 o   2.9620   0.8321   3.1530   1.1310   2.7710   1.2200 0.3823000 1.664000 
1 1 1  -17    7   31 o   8.1240   0.4315   8.6380   0.5104   7.6110   0.6959 1.027000 0.8631000 
1 1 1  -17    7   32 o   7.3650   0.4585   7.2550   0.6847   7.4760   0.6101 -0.2210000 0.9171000 
1 1 1  -17    7   33 o   2.6120   0.7227   3.0940   1.0720   2.1300   0.9694 0.9640000 1.445000 
1 1 1  -17    9    1 o   24.350   0.1828   24.360   0.2576   24.340   0.2595 0.2686000E-01 0.3656000 
1 1 1  -17    9    2 o   16.730   0.1469   17.100   0.2079   16.350   0.2078 0.7545000 0.2939000 
1 1 1  -17    9    3 o   24.830   0.1577   24.900   0.2230   24.760   0.2229 0.1409000 0.3153000 
1 1 1  -17    9    4 o   24.440   0.1689   24.550   0.2545   24.340   0.2220 0.2062000 0.3377000 
1 1 1  -17    9    5 o   45.190   0.2582   45.030   0.3899   45.350   0.3387 -0.3184000 0.5165000 
1 1 1  -17    9    6 o   21.600   0.1774   21.300   0.2508   21.900   0.2509 -0.6041000 0.3547000 
1 1 1  -17    9    7 o   11.850   0.2032   12.000   0.2910   11.700   0.2836 0.3054000 0.4064000 
1 1 1  -17    9    8 o   39.820   0.2799   39.960   0.3555   39.670   0.4324 0.2825000 0.5598000 
1 1 1  -17    9    9 o   24.800   0.2343   24.690   0.3317   24.900   0.3311 -0.2139000 0.4687000 
1 1 1  -17    9   10 o   56.410   0.3384   56.200   0.4770   56.610   0.4802 -0.4106000 0.6769000 
1 1 1  -17    9   11 o   32.970   0.2501   32.380   0.3850   33.570   0.3192 -1.181000 0.5002000 
1 1 1  -17    9   12 o   14.550   0.2124   14.730   0.3001   14.370   0.3008 0.3656000 0.4249000 
1 1 1  -17    9   13 o   28.300   0.2111   28.320   0.3002   28.270   0.2968 0.4617000E-01 0.4221000 
1 1 1  -17    9   14 o   19.770   0.2024   20.160   0.2910   19.380   0.2815 0.7779000 0.4049000 
1 1 1  -17    9   15 o   9.2920   0.3237   10.420   0.4189   8.1670   0.4936 2.251000 0.6474000 
1 1 1  -17    9   16 o   4.6040   0.8163   4.3880   1.2200   4.8190   1.0850 -0.4310000 1.633000 
1 1 1  -17    9   17 o   9.0330   0.4247   8.0900   0.6638   9.9760   0.5298 -1.886000 0.8493000 
1 1 1  -17    9   18 o   25.290   0.2399   25.290   0.3739   25.300   0.3008 -0.9710000E-02 0.4799000 
1 1 1  -17    9   19 o   15.820   0.2332   15.610   0.3426   16.030   0.3164 -0.4238000 0.4664000 
1 1 1  -17    9   20 o   13.330   0.2514   13.500   0.3605   13.160   0.3505 0.3475000 0.5028000 
1 1 1  -17    9   21 o   28.750   0.2770   28.890   0.4026   28.610   0.3806 0.2789000 0.5540000 
1 1 1  -17    9   22 o   12.440   0.2697   12.380   0.3860   12.500   0.3767 -0.1207000 0.5393000 
1 1 1  -17    9   23 o   8.2490   0.4015   7.9560   0.5448   8.5420   0.5900 -0.5857000 0.8030000 
1 1 1  -17    9   24 o   25.670   0.2107   25.640   0.2784   25.690   0.3162 -0.5447000E-01 0.4213000 
1 1 1  -17    9   25 o   4.7550   0.5795   5.2650   0.7077   4.2450   0.9180 1.020000 1.159000 
1 1 1  -17    9   26 o   10.420   0.2823   10.480   0.3825   10.360   0.4153 0.1169000 0.5646000 
1 1 1  -17    9   27 o   2.2170   0.6651   1.9010   0.8672   2.5330   1.0090 -0.6323000 1.330000 
1 1 1  -17    9   28 o   5.5360   0.5221   4.9140   0.8052   6.1580   0.6649 -1.244000 1.044000 
1 1 1  -17    9   29 o   3.5610   0.6915   2.6230   1.0260   4.4980   0.9276 -1.876000 1.383000 
1 1 1  -17    9   30 o   2.1680   0.6997   1.9960   0.9290   2.3400   1.0470 -0.3441000 1.399000 
1 1 1  -17    9   31 o   2.4150   0.7671   2.4530   1.0520   2.3770   1.1160 0.7612000E-01 1.534000 
1 1 1  -17    9   32 o   5.6650   0.7469   5.7460   0.7571   5.5850   1.2880 0.1615000 1.494000 
1 1 1  -17   11    1 o   20.770   0.1608   20.730   0.2266   20.810   0.2281 -0.7983000E-01 0.3215000 
1 1 1  -17   11    2 o   1.7500   0.5424   1.8640   0.7941   1.6350   0.7390 0.2289000 1.085000 
1 1 1  -17   11    3 o   27.090   0.1729   27.030   0.2439   27.140   0.2452 -0.1104000 0.3458000 
1 1 1  -17   11    4 o   24.590   0.1664   24.200   0.2329   24.980   0.2379 -0.7890000 0.3329000 
1 1 1  -17   11    5 o   65.080   0.3337   65.070   0.4715   65.100   0.4723 -0.2893000E-01 0.6673000 
1 1 1  -17   11    6 o   11.970   0.2095   11.730   0.3198   12.200   0.2706 -0.4764000 0.4189000 
1 1 1  -17   11    7 o   25.580   0.1869   25.560   0.2839   25.600   0.2433 -0.4398000E-01 0.3739000 
1 1 1  -17   11    8 o   14.660   0.1971   14.480   0.3024   14.830   0.2528 -0.3485000 0.3941000 
1 1 1  -17   11    9 o   17.160   0.2243   17.690   0.2823   16.630   0.3486 1.064000 0.4486000 
1 1 1  -17   11   10 o   48.460   0.2999   48.780   0.4268   48.130   0.4215 0.6497000 0.5998000 
1 1 1  -17   11   11 o   8.5240   0.3342   8.6310   0.4589   8.4160   0.4859 0.2151000 0.6684000 
1 1 1  -17   11   12 o   13.230   0.2434   13.270   0.3414   13.200   0.3472 0.6075000E-01 0.4869000 
1 1 1  -17   11   13 o   20.990   0.2600   20.970   0.3654   21.020   0.3700 -0.5171000E-01 0.5200000 
1 1 1  -17   11   14 o   13.530   0.3173   14.000   0.4453   13.050   0.4521 0.9489000 0.6346000 
1 1 1  -17   11   15 o   33.160   0.2661   33.180   0.4129   33.140   0.3357 0.4382000E-01 0.5321000 
1 1 1  -17   11   16 o   43.810   0.3174   44.550   0.4976   43.070   0.3941 1.483000 0.6347000 
1 1 1  -17   11   17 o   26.490   0.2459   26.830   0.3850   26.150   0.3060 0.6783000 0.4918000 
1 1 1  -17   11   18 o   18.140   0.2237   18.050   0.3217   18.230   0.3109 -0.1843000 0.4474000 
1 1 1  -17   11   19 o   22.030   0.2201   22.400   0.3172   21.660   0.3051 0.7394000 0.4402000 
1 1 1  -17   11   20 o   12.330   0.3515   12.240   0.5422   12.410   0.4474 -0.1745000 0.7030000 
1 1 1  -17   11   21 o   35.990   0.2555   36.170   0.3657   35.800   0.3568 0.3624000 0.5109000 
1 1 1  -17   11   22 o   16.670   0.2666   16.890   0.3464   16.440   0.4053 0.4518000 0.5332000 
1 1 1  -17   11   23 o   14.210   0.2583   13.910   0.3805   14.500   0.3493 -0.5917000 0.5165000 
1 1 1  -17   11   24 o   18.250   0.2328   18.440   0.3312   18.060   0.3273 0.3751000 0.4656000 
1 1 1  -17   11   25 o   6.4110   0.4781   6.3960   0.6998   6.4270   0.6516 -0.3055000E-01 0.9562000 
1 1 1  -17   11   26 o   5.3790   0.5825   4.8300   0.9410   5.9280   0.6869 -1.098000 1.165000 
1 1 1  -17   11   27 o   3.4560   0.6986   4.1910   0.9161   2.7200   1.0550 1.471000 1.397000 
1 1 1  -17   11   28 o   11.010   0.3567   11.350   0.4489   10.680   0.5545 0.6678000 0.7135000 
1 1 1  -17   11   29 o   3.9250   0.8230   3.8300   1.1050   4.0190   1.2200 -0.1889000 1.646000 
1 1 1  -17   11   30 o   2.8280   0.7512   2.3870   1.0340   3.2680   1.0900 -0.8809000 1.502000 
1 1 1  -17   11   31 o   11.350   0.3055   11.200   0.4165   11.500   0.4471 -0.3004000 0.6110000 
1 1 1  -17   11   32 o   8.4370   0.6268   9.9760   0.4683   6.8970   1.1630 3.079000 1.254000 
1 1 1  -17   13    1 o   30.150   0.1895   30.230   0.2673   30.070   0.2686 0.1628000 0.3790000 
1 1 1  -17   13    2 o   12.580   0.2035   12.440   0.2898   12.720   0.2859 -0.2783000 0.4071000 
1 1 1  -17   13    3 o   34.140   0.2020   34.330   0.2863   33.950   0.2851 0.3782000 0.4041000 
1 1 1  -17   13    4 o   25.810   0.1781   25.780   0.2513   25.840   0.2525 -0.5621000E-01 0.3563000 
1 1 1  -17   13    5 o   20.840   0.1745   20.700   0.2454   20.970   0.2481 -0.2708000 0.3489000 
1 1 1  -17   13    6 o   37.460   0.2334   37.470   0.3533   37.460   0.3051 0.4673000E-02 0.4668000 
1 1 1  -17   13    7 o   5.5000   0.4715   6.1230   0.6309   4.8770   0.7008 1.245000 0.9430000 
1 1 1  -17   13    8 o   33.920   0.2499   33.130   0.4052   34.720   0.2927 -1.587000 0.4998000 
1 1 1  -17   13    9 o   23.590   0.2344   24.120   0.3652   23.070   0.2940 1.044000 0.4689000 
1 1 1  -17   13   10 o   23.310   0.2382   23.030   0.3706   23.590   0.2994 -0.5628000 0.4764000 
1 1 1  -17   13   11 o   36.470   0.3065   36.740   0.4356   36.200   0.4313 0.5425000 0.6130000 
1 1 1  -17   13   12 o   27.660   0.2252   27.680   0.3203   27.640   0.3167 0.3734000E-01 0.4505000 
1 1 1  -17   13   13 o   18.040   0.2879   17.490   0.4019   18.590   0.4123 -1.096000 0.5757000 
1 1 1  -17   13   14 o   26.420   0.3190  ?   ?    26.420   0.3190      ?      ? 
1 1 1  -17   13   15 o   20.490   0.2470   20.710   0.3839   20.270   0.3107 0.4367000 0.4939000 
1 1 1  -17   13   16 o   11.350   0.2916   11.170   0.4209   11.520   0.4037 -0.3513000 0.5832000 
1 1 1  -17   13   17 o   36.610   0.2558   37.030   0.3660   36.190   0.3576 0.8370000 0.5117000 
1 1 1  -17   13   18 o   3.2240   0.8362   3.7820   1.2660   2.6650   1.0930 1.117000 1.672000 
1 1 1  -17   13   19 o   18.770   0.2295   18.630   0.3320   18.910   0.3170 -0.2782000 0.4590000 
1 1 1  -17   13   20 o   3.2550   0.6875   2.2510   0.9822   4.2590   0.9621 -2.008000 1.375000 
1 1 1  -17   13   21 o   19.040   0.2554   19.350   0.3309   18.740   0.3890 0.6141000 0.5108000 
1 1 1  -17   13   22 o   6.5290   0.4713   6.5290   0.6768   6.5290   0.6563 0.9179000E-03 0.9427000 
1 1 1  -17   13   23 o   9.1180   0.3965   9.9020   0.5971   8.3340   0.5218 1.568000 0.7930000 
1 1 1  -17   13   24 o   6.4310   0.4921   6.2890   0.7272   6.5720   0.6632 -0.2823000 0.9842000 
1 1 1  -17   13   25 o   13.090   0.2793   13.290   0.4074   12.880   0.3822 0.4174000 0.5587000 
1 1 1  -17   13   26 o   2.9670   0.7611   3.3780   1.1200   2.5550   1.0310 0.8227000 1.522000 
1 1 1  -17   13   27 f   5.9380   0.6971   6.1810   0.9787   5.6950   0.9929 0.4869000 1.394000 
1 1 1  -17   13   28 o   7.1420   0.4729   6.3830   0.7502   7.9000   0.5758 -1.517000 0.9458000 
1 1 1  -17   13   29 o   5.6430   0.6403   5.6100   1.0220   5.6770   0.7718 -0.6713000E-01 1.281000 
1 1 1  -17   13   30 o   3.1480   0.7908   3.1850   1.1240   3.1110   1.1130 0.7334000E-01 1.582000 
1 1 1  -17   13   31 o   2.0240   0.6418   2.5480   1.0460   1.5000   0.7434 1.048000 1.284000 
1 1 1  -17   15    1 o   24.470   0.2124   24.320   0.2976   24.630   0.3031 -0.3059000 0.4248000 
1 1 1  -17   15    2 o   18.130   0.2142   17.830   0.2996   18.420   0.3061 -0.5871000 0.4283000 
1 1 1  -17   15    3 o   14.790   0.2323   14.790   0.3208   14.790   0.3362 0.1145000E-02 0.4647000 
1 1 1  -17   15    4 o   20.180   0.2118   20.010   0.2956   20.350   0.3034 -0.3363000 0.4236000 
1 1 1  -17   15    5 o   16.750   0.2550   16.380   0.3992   17.130   0.3173 -0.7454000 0.5100000 
1 1 1  -17   15    6 o   8.3690   0.3510   8.8420   0.5095   7.8950   0.4830 0.9469000 0.7020000 
1 1 1  -17   15    7 o   5.9950   0.4950   6.7100   0.6742   5.2790   0.7250 1.432000 0.9900000 
1 1 1  -17   15    8 o   40.360   0.2524   40.510   0.3839   40.210   0.3277 0.3085000 0.5048000 
1 1 1  -17   15    9 o   26.610   0.2121   26.670   0.3224   26.540   0.2756 0.1308000 0.4241000 
1 1 1  -17   15   10 o   18.710   0.2174   18.510   0.3320   18.900   0.2808 -0.3866000 0.4348000 
1 1 1  -17   15   11 o   10.750   0.3333   10.810   0.5386   10.690   0.3927 0.1133000 0.6665000 
1 1 1  -17   15   12 o   34.230   0.2763   34.520   0.4313   33.930   0.3455 0.5881000 0.5527000 
1 1 1  -17   15   13 o   42.280   0.3136   42.650   0.4897   41.910   0.3921 0.7405000 0.6273000 
1 1 1  -17   15   14 o   11.580   0.3005   11.960   0.4149   11.190   0.4347 0.7742000 0.6009000 
1 1 1  -17   15   15 o   5.1450   0.7716   5.5850   1.0620   4.7060   1.1200 0.8786000 1.543000 
1 1 1  -17   15   16 o   18.280   0.2894   18.460   0.4221   18.090   0.3960 0.3738000 0.5787000 
1 1 1  -17   15   17 o   23.610   0.2284   23.530   0.3228   23.680   0.3233 -0.1467000 0.4568000 
1 1 1  -17   15   18 o   15.230   0.2527   15.200   0.3616   15.260   0.3529 -0.6056000E-01 0.5053000 
1 1 1  -17   15   19 o   3.2790   0.7289   2.0740   0.9361   4.4840   1.1180 -2.410000 1.458000 
1 1 1  -17   15   20 f   7.0740   0.4480   7.4360   0.5941   6.7120   0.6707 0.7241000 0.8960000 
1 1 1  -17   15   21 o   3.1250   0.7707   3.2700   1.0930   2.9790   1.0870 0.2906000 1.541000 
1 1 1  -17   15   22 o   4.5780   0.6827   3.6070   1.1090   5.5490   0.7959 -1.942000 1.365000 
1 1 1  -17   15   23 o   13.070   0.2764   12.990   0.3964   13.140   0.3854 -0.1484000 0.5529000 
1 1 1  -17   15   24 o   6.9540   0.4598   6.5810   0.7010   7.3280   0.5953 -0.7471000 0.9196000 
1 1 1  -17   15   25 o   2.3360   0.7084   2.4630   1.0360   2.2090   0.9671 0.2543000 1.417000 
1 1 1  -17   15   26 o   4.4050   0.7762   5.8550   0.9870   2.9550   1.1980 2.900000 1.552000 
1 1 1  -17   15   27 o   6.1330   0.5562   7.1360   0.6644   5.1300   0.8921 2.006000 1.112000 
1 1 1  -17   15   28 o   4.7570   0.7726   4.6280   1.2200   4.8850   0.9483 -0.2569000 1.545000 
1 1 1  -17   15   29 o   2.0820   0.6775   2.0670   0.9605   2.0970   0.9557 -0.3010000E-01 1.355000 
1 1 1  -17   15   30 o   2.6050   0.8052   2.5380   1.1570   2.6720   1.1200 -0.1345000 1.610000 
1 1 1  -17   17    1 o   4.6080   0.7156   4.5800   0.9930   4.6360   1.0310 -0.5616000E-01 1.431000 
1 1 1  -17   17    2 o   32.840   0.2454   32.790   0.3454   32.880   0.3486 -0.9143000E-01 0.4907000 
1 1 1  -17   17    3 o   14.340   0.2672   14.400   0.3724   14.280   0.3832 0.1260000 0.5344000 
1 1 1  -17   17    4 o   33.930   0.2478   34.080   0.3503   33.770   0.3504 0.3174000 0.4955000 
1 1 1  -17   17    5 o   16.400   0.2444   16.170   0.3435   16.640   0.3476 -0.4678000 0.4887000 
1 1 1  -17   17    6 o   42.150   0.2802   42.170   0.3956   42.130   0.3969 0.3950000E-01 0.5604000 
1 1 1  -17   17    7 o   8.2740   0.4477   8.1570   0.6921   8.3900   0.5682 -0.2332000 0.8955000 
1 1 1  -17   17    8 o   20.040   0.2594   19.780   0.4023   20.310   0.3275 -0.5303000 0.5187000 
1 1 1  -17   17    9 o   7.4230   0.5169   6.5550   0.9064   8.2920   0.4969 -1.737000 1.034000 
1 1 1  -17   17   10 o   9.8310   0.3639   10.670   0.5609   8.9960   0.4638 1.670000 0.7278000 
1 1 1  -17   17   11 o   27.530   0.2614   27.470   0.4083   27.600   0.3264 -0.1273000 0.5227000 
1 1 1  -17   17   12 o   15.640   0.2927   15.000   0.4692   16.290   0.3503 -1.285000 0.5855000 
1 1 1  -17   17   13 o   16.590   0.2470   16.250   0.3575   16.940   0.3409 -0.6903000 0.4940000 
1 1 1  -17   17   14 o   5.9390   0.5518   6.0350   0.7750   5.8430   0.7856 0.1921000 1.104000 
1 1 1  -17   17   15 o   13.100   0.2827   13.120   0.3936   13.070   0.4058 0.5507000E-01 0.5654000 
1 1 1  -17   17   16 o   3.1360   0.7832   3.4510   1.1150   2.8210   1.1000 0.6306000 1.566000 
1 1 1  -17   17   17 o   15.380   0.2891   15.480   0.3545   15.280   0.4568 0.2011000 0.5782000 
1 1 1  -17   17   18 o   3.1210   0.7734   3.6000   1.1050   2.6420   1.0830 0.9586000 1.547000 
1 1 1  -17   17   19 o   9.0730   0.3742   8.9350   0.5286   9.2110   0.5297 -0.2760000 0.7483000 
1 1 1  -17   17   20 o   7.4920   0.4303   7.4900   0.6118   7.4930   0.6053 -0.2697000E-02 0.8607000 
1 1 1  -17   17   21 f   3.5520   0.7852   3.5880   1.1170   3.5170   1.1030 0.7133000E-01 1.570000 
1 1 1  -17   17   22 o   9.8940   0.3422   9.6140   0.4980   10.170   0.4694 -0.5605000 0.6844000 
1 1 1  -17   17   23 o   11.430   0.3112   11.540   0.4442   11.310   0.4359 0.2296000 0.6223000 
1 1 1  -17   17   24 o   9.0680   0.4752   8.8770   0.6871   9.2590   0.6565 -0.3824000 0.9503000 
1 1 1  -17   17   25 o   2.2010   0.6939   2.5050   1.0630   1.8970   0.8922 0.6076000 1.388000 
1 1 1  -17   17   26 o   6.1690   0.5517   5.5460   0.8634   6.7920   0.6870 -1.246000 1.103000 
1 1 1  -17   17   27 o   3.8560   0.8305   3.4360   1.2640   4.2750   1.0780 -0.8385000 1.661000 
1 1 1  -17   17   28 o   3.8870   0.7971   4.0320   1.1350   3.7430   1.1200 0.2893000 1.594000 
1 1 1  -17   19    1 o   8.6650   0.3905   8.2460   0.5744   9.0850   0.5292 -0.8385000 0.7810000 
1 1 1  -17   19    2 o   16.240   0.2504   16.330   0.3530   16.160   0.3552 0.1723000 0.5008000 
1 1 1  -17   19    3 o   5.5210   0.6044   5.9930   0.8064   5.0490   0.9004 0.9436000 1.209000 
1 1 1  -17   19    4 o   24.560   0.2315   24.740   0.3291   24.380   0.3257 0.3610000 0.4630000 
1 1 1  -17   19    5 o   23.760   0.2314   23.650   0.3299   23.880   0.3244 -0.2304000 0.4627000 
1 1 1  -17   19    6 o   8.6160   0.6238   7.7420   1.1420   9.4900   0.5027 -1.749000 1.248000 
1 1 1  -17   19    7 o   21.990   0.3371   21.780   0.5882   22.200   0.3295 -0.4144000 0.6742000 
1 1 1  -17   19    8 o   21.140   0.2235   21.240   0.3344   21.050   0.2967 0.1929000 0.4470000 
1 1 1  -17   19    9 o   3.6600   0.7664   3.8540   1.1220   3.4660   1.0440 0.3880000 1.533000 
1 1 1  -17   19   10 o   11.260   0.2993   11.220   0.4586   11.290   0.3847 -0.6939000E-01 0.5986000 
1 1 1  -17   19   11 o   19.400   0.2238   19.540   0.3376   19.250   0.2938 0.2849000 0.4476000 
1 1 1  -17   19   12 o   14.360   0.2486   14.570   0.3733   14.140   0.3283 0.4347000 0.4971000 
1 1 1  -17   19   13 o   6.7220   0.4880   6.1630   0.7452   7.2800   0.6302 -1.118000 0.9760000 
1 1 1  -17   19   14 o   3.6350   0.7437   4.4170   1.0110   2.8540   1.0910 1.563000 1.487000 
1 1 1  -17   19   15 o   3.3050   0.7585   3.5990   1.1010   3.0100   1.0440 0.5892000 1.517000 
1 1 1  -17   19   16 o   7.3540   0.4500   7.5190   0.6106   7.1890   0.6611 0.3295000 0.8999000 
1 1 1  -17   19   17 o   10.980   0.3239   11.510   0.4341   10.450   0.4807 1.065000 0.6477000 
1 1 1  -17   19   18 o   4.5600   0.7157   4.6470   0.9975   4.4730   1.0270 0.1738000 1.431000 
1 1 1  -17   19   19 o   3.0980   0.7763   2.6660   1.0730   3.5300   1.1220 -0.8639000 1.553000 
1 1 1  -17   19   20 o   5.4090   0.6172   6.1640   0.7493   4.6550   0.9810 1.509000 1.234000 
1 1 1  -17   19   21 o   8.0990   0.5489   7.8060   0.7543   8.3920   0.7976 -0.5861000 1.098000 
1 1 1  -17   19   22 o   11.130   0.4276   11.190   0.5621   11.070   0.6446 0.1250000 0.8553000 
1 1 1  -17   19   23 o   12.750   0.3035   12.870   0.4289   12.630   0.4294 0.2405000 0.6069000 
1 1 1  -17   19   24 o   10.860   0.3389   11.140   0.4715   10.590   0.4870 0.5454000 0.6778000 
1 1 1  -17   19   25 o   4.7100   0.7919   4.9390   1.1770   4.4800   1.0600 0.4593000 1.584000 
1 1 1  -17   19   26 o   2.5330   0.7650   2.2930   1.0590   2.7740   1.1040 -0.4809000 1.530000 
1 1 1  -17   19   27 o   4.8840   0.8602   4.1750   1.3500   5.5940   1.0660 -1.419000 1.720000 
1 1 1  -17   21    1 o   3.6100   0.7076   4.8820   0.9790   2.3370   1.0220 2.545000 1.415000 
1 1 1  -17   21    2 o   5.9730   0.5911   5.5720   0.9038   6.3740   0.7621 -0.8015000 1.182000 
1 1 1  -17   21    3 o   9.4370   0.4026   9.2030   0.6619   9.6710   0.4584 -0.4685000 0.8051000 
1 1 1  -17   21    4 o   10.480   0.3754   10.240   0.6169   10.720   0.4278 -0.4755000 0.7508000 
1 1 1  -17   21    5 o   18.120   0.2812   17.980   0.4393   18.260   0.3512 -0.2801000 0.5625000 
1 1 1  -17   21    6 o   14.350   0.2774   14.590   0.3945   14.100   0.3902 0.4893000 0.5549000 
1 1 1  -17   21    7 o   11.320   0.3225   11.460   0.4561   11.170   0.4561 0.2878000 0.6450000 
1 1 1  -17   21    8 o   16.470   0.2540   16.220   0.3652   16.720   0.3530 -0.4971000 0.5079000 
1 1 1  -17   21    9 o   8.2940   0.4028   8.3060   0.5826   8.2820   0.5564 0.2362000E-01 0.8055000 
1 1 1  -17   21   10 o   10.160   0.3495   10.260   0.5033   10.060   0.4850 0.1957000 0.6989000 
1 1 1  -17   21   11 o   10.670   0.3076   10.740   0.4655   10.610   0.4021 0.1305000 0.6151000 
1 1 1  -17   21   12 o   11.430   0.2899   11.540   0.4340   11.330   0.3843 0.2133000 0.5797000 
1 1 1  -17   21   13 o   10.070   0.3205   10.300   0.4776   9.8330   0.4275 0.4680000 0.6410000 
1 1 1  -17   21   14 o   13.360   0.2671   13.080   0.4103   13.630   0.3420 -0.5502000 0.5342000 
1 1 1  -17   21   15 o   9.9430   0.3218   9.7530   0.4904   10.130   0.4167 -0.3812000 0.6435000 
1 1 1  -17   21   16 o   12.850   0.2713   12.790   0.4155   12.900   0.3488 -0.1055000 0.5425000 
1 1 1  -17   21   17 o   5.9820   0.5472   5.1060   0.9161   6.8570   0.5986 -1.751000 1.094000 
1 1 1  -17   21   18 o   5.5740   0.6135   6.1560   0.7461   4.9920   0.9742 1.164000 1.227000 
1 1 1  -17   21   19 o   3.3770   0.8189   2.1900   1.0170   4.5650   1.2840 -2.376000 1.638000 
1 1 1  -17   21   20 o   4.1570   0.7574   4.0560   1.0870   4.2570   1.0540 -0.2010000 1.515000 
1 1 1  -17   21   21 o   7.7380   0.4607   7.4530   0.6815   8.0220   0.6202 -0.5690000 0.9215000 
1 1 1  -17   21   22 o   5.3430   0.6660   5.3970   0.9287   5.2900   0.9548 0.1076000 1.332000 
1 1 1  -17   21   23 o   8.1630   0.4872   8.0160   0.7530   8.3100   0.6186 -0.2940000 0.9745000 
1 1 1  -17   21   24 o   2.1730   0.7136   2.1370   1.0110   2.2100   1.0070 -0.7368000E-01 1.427000 
1 1 1  -17   21   25 o   2.5110   0.7898   2.2370   1.0610   2.7850   1.1700 -0.5484000 1.580000 
1 1 1  -17   23    1 o   4.0160   0.7781   3.4020   1.2690   4.6310   0.9006 -1.229000 1.556000 
1 1 1  -17   23    2 o   10.970   0.3601   11.550   0.5795   10.390   0.4277 1.154000 0.7202000 
1 1 1  -17   23    3 o   2.8390   0.7382   2.5560   1.0320   3.1220   1.0560 -0.5667000 1.476000 
1 1 1  -17   23    4 o   2.4500   0.6685   1.7490   0.8289   3.1510   1.0490 -1.402000 1.337000 
1 1 1  -17   23    5 o   5.4200   0.5317   5.7890   0.7024   5.0510   0.7985 0.7375000 1.063000 
1 1 1  -17   23    6 o   10.960   0.2805   11.290   0.3843   10.630   0.4088 0.6566000 0.5611000 
1 1 1  -17   23    7 o   8.0780   0.3963   7.8830   0.6111   8.2720   0.5047 -0.3893000 0.7926000 
1 1 1  -17   23    8 o   4.2300   0.6771   3.1190   1.1260   5.3410   0.7521 -2.221000 1.354000 
1 1 1  -17   23    9 o   2.4960   0.7296   2.6280   1.0780   2.3650   0.9840 0.2634000 1.459000 
1 1 1  -17   23   10 o   10.850   0.3138   11.070   0.4781   10.630   0.4067 0.4405000 0.6277000 
1 1 1  -17   23   11 o   9.6280   0.3405   9.7230   0.5154   9.5330   0.4450 0.1896000 0.6809000 
1 1 1  -17   23   12 o   7.2430   0.4267   7.3600   0.6432   7.1260   0.5610 0.2339000 0.8535000 
1 1 1  -17   23   13 o   6.0530   0.4981   6.5820   0.6927   5.5240   0.7158 1.058000 0.9961000 
1 1 1  -17   23   14 o   3.2510   0.7628   3.7070   1.1180   2.7950   1.0380 0.9120000 1.526000 
1 1 1  -17   23   15 o   9.5320   0.4140   9.8970   0.6158   9.1670   0.5534 0.7292000 0.8279000 
1 1 1  -17   23   16 o   6.6730   0.5776   6.0690   0.9374   7.2770   0.6751 -1.208000 1.155000 
1 1 1  -17   23   17 o   9.4270   0.3497   8.9860   0.5434   9.8690   0.4405 -0.8830000 0.6995000 
1 1 1  -17   23   18 o   7.7700   0.4216   7.8670   0.6228   7.6730   0.5684 0.1944000 0.8432000 
1 1 1  -17   23   19 o   4.8200   0.6838   4.0490   1.1220   5.5900   0.7817 -1.541000 1.368000 
1 1 1  -17   23   20 o   5.0180   0.7077   4.1660   1.1230   5.8700   0.8619 -1.704000 1.415000 
1 1 1  -17   23   21 o   7.9610   0.5185   8.4200   0.7735   7.5020   0.6907 0.9176000 1.037000 
1 1 1  -17   23   22 o   5.7970   0.7972   6.4730   1.0400   5.1220   1.2080 1.351000 1.594000 
1 1 1  -17   23   23 o   1.8370   0.6394   1.7430   0.8693   1.9320   0.9379 -0.1894000 1.279000 
1 1 1  -17   25    1 o   11.660   0.3001   11.150   0.4609   12.160   0.3845 -1.010000 0.6002000 
1 1 1  -17   25    2 o   3.3630   0.7058   4.1850   0.9745   2.5420   1.0210 1.643000 1.412000 
1 1 1  -17   25    3 o   11.820   0.2760   11.540   0.3954   12.090   0.3851 -0.5519000 0.5520000 
1 1 1  -17   25    4 o   12.980   0.2583   13.060   0.3626   12.900   0.3679 0.1578000 0.5166000 
1 1 1  -17   25    5 o   2.9420   0.7389   2.7030   1.0290   3.1800   1.0600 -0.4768000 1.478000 
1 1 1  -17   25    6 o   9.2000   0.3265   9.2820   0.4564   9.1180   0.4669 0.1646000 0.6529000 
1 1 1  -17   25    7 o   5.5570   0.5674   5.5190   0.8653   5.5960   0.7343 -0.7682000E-01 1.135000 
1 1 1  -17   25    8 o   3.7980   0.8244   4.5170   1.1990   3.0800   1.1320 1.437000 1.649000 
1 1 1  -17   25    9 o   1.9530   0.6513   1.7920   0.8780   2.1140   0.9624 -0.3219000 1.303000 
1 1 1  -17   25   10 o   2.3140   0.7287   2.2650   1.0400   2.3620   1.0210 -0.9701000E-01 1.457000 
1 1 1  -17   25   11 o   2.6810   0.7848   2.8850   1.1750   2.4760   1.0410 0.4089000 1.570000 
1 1 1  -17   25   12 o   6.5090   0.4836   6.2490   0.7696   6.7700   0.5857 -0.5216000 0.9671000 
1 1 1  -17   25   13 o   10.020   0.3652   10.510   0.5038   9.5310   0.5288 0.9748000 0.7303000 
1 1 1  -17   25   14 f   5.6960   0.5668   5.4830   0.8923   5.9090   0.6993 -0.4260000 1.134000 
1 1 1  -17   25   15 o   10.040   0.3461   9.8010   0.5273   10.270   0.4483 -0.4698000 0.6921000 
1 1 1  -17   25   16 o   5.8650   0.5818   5.1040   0.9731   6.6260   0.6380 -1.523000 1.164000 
1 1 1  -17   25   17 o   2.5060   0.7747   2.6130   1.1390   2.3980   1.0500 0.2154000 1.549000 
1 1 1  -17   25   18 f   5.5710   0.7195   5.7630   1.0580   5.3790   0.9757 0.3841000 1.439000 
1 1 1  -17   25   19 o   2.0630   0.6818   1.7310   0.8626   2.3940   1.0560 -0.6631000 1.364000 
1 1 1  -17   25   20 o   6.8920   0.6063   7.3620   0.8658   6.4210   0.8490 0.9407000 1.213000 
1 1 1  -17   27    1 o   2.3580   0.7034   2.3540   0.9972   2.3610   0.9923 -0.7740000E-02 1.407000 
1 1 1  -17   27    2 o   5.6490   0.5348   6.0810   0.7028   5.2170   0.8063 0.8633000 1.070000 
1 1 1  -17   27    3 o   8.7060   0.3554   8.6910   0.5079   8.7210   0.4972 -0.2955000E-01 0.7108000 
1 1 1  -17   27    4 o   3.2480   0.7599   3.3700   1.0730   3.1260   1.0760 0.2435000 1.520000 
1 1 1  -17   27    5 o   5.8170   0.5205   6.0640   0.7148   5.5700   0.7566 0.4938000 1.041000 
1 1 1  -17   27    6 o   4.3850   0.6724   5.0200   0.8477   3.7510   1.0440 1.269000 1.345000 
1 1 1  -17   27    7 o   3.9440   0.7312   3.1810   1.1600   4.7070   0.8911 -1.526000 1.462000 
1 1 1  -17   27    8 o   1.9640   0.6407   2.5430   1.0780   1.3860   0.6921 1.157000 1.281000 
1 1 1  -17   27    9 o   5.1070   0.6461   5.1670   0.9850   5.0460   0.8365 0.1216000 1.292000 
1 1 1  -17   27   10 f   2.4420   0.7352   2.7120   1.1200   2.1730   0.9524 0.5395000 1.470000 
1 1 1  -17   27   11 o   2.9440   0.8217   2.6170   1.1670   3.2700   1.1570 -0.6534000 1.643000 
1 1 1  -17   27   12 o   2.0100   0.6750   2.4150   1.0930   1.6060   0.7919 0.8087000 1.350000 
1 1 1  -17   27   13 o   3.4920   0.8971   3.1570   1.2540   3.8280   1.2840 -0.6714000 1.794000 
1 1 1  -17   27   14 o   4.0530   0.7743   3.4640   1.2160   4.6420   0.9588 -1.177000 1.549000 
1 1 1  -17   27   15 f   2.2800   0.7115   1.7650   0.8762   2.7940   1.1210 -1.029000 1.423000 
1 1 1  -17   27   16 o   3.2010   0.8483   3.7540   1.2930   2.6470   1.0980 1.107000 1.697000 
1 1 1  -17   27   17 o   3.0490   1.2700   3.0490   1.2700  ?   ?       ?      ? 
1 1 1  -17   29    1 o   2.7530   0.6987   3.6900   1.1000   1.8160   0.8624 1.874000 1.397000 
1 1 1  -17   29    2 o   8.1070   0.4081   8.5170   0.5598   7.6980   0.5939 0.8188000 0.8161000 
1 1 1  -17   29    3 o   4.2420   0.7244   4.0150   1.0780   4.4690   0.9683 -0.4541000 1.449000 
1 1 1  -17   29    4 o   2.0240   0.6562   2.2020   0.9820   1.8470   0.8707 0.3545000 1.312000 
1 1 1  -17   29    5 o   4.0500   0.7344   4.7560   0.9689   3.3450   1.1040 1.411000 1.469000 
1 1 1  -17   29    6 o   2.4440   0.7579   2.4600   1.0900   2.4280   1.0530 0.3194000E-01 1.516000 
1 1 1  -17   29    7 o   10.980   0.4210   10.470   0.6856   11.490   0.4886 -1.019000 0.8419000 
1 1 1  -17   29    8 o   2.2960   0.7351   2.1440   1.0220   2.4490   1.0560 -0.3056000 1.470000 
1 1 1  -17   29    9 o   2.0860   0.6885   1.9250   0.9417   2.2470   1.0050 -0.3222000 1.377000 
1 1 1  -17   29   10 o   2.7250   0.8033   2.5850   1.1560   2.8650   1.1160 -0.2799000 1.607000 
1 1 1  -17   29   11 o   2.0240   0.6603   2.1560   0.9857   1.8920   0.8788 0.2644000 1.321000 
1 1 1  -17   29   12 o   2.1660   1.0710  ?   ?    2.1660   1.0710      ?      ? 
1 1 1  -16    0    1 o   25.780   0.2692   25.780   0.2692   25.780   0.2692 -0.000000 0.000000 
1 1 1  -16    0    3 o   72.120   0.5871   72.120   0.5871   72.120   0.5871 -0.000000 0.000000 
1 1 1  -16    0    4 o   7.0000   0.1521   7.0000   0.1521   7.0000   0.1521 -0.000000 0.000000 
1 1 1  -16    0    5 o   31.940   0.2300   31.940   0.2300   31.940   0.2300 -0.000000 0.000000 
1 1 1  -16    0    6 o   28.010   0.2386   28.010   0.2386   28.010   0.2386 -0.000000 0.000000 
1 1 1  -16    0    8 o   29.210   0.2197   29.210   0.2197   29.210   0.2197 -0.000000 0.000000 
1 1 1  -16    0    9 o   59.990   0.4267   59.990   0.4267   59.990   0.4267 -0.000000 0.000000 
1 1 1  -16    0   10 o   2.1760   0.7723   2.1760   0.7723   2.1760   0.7723 -0.000000 0.000000 
1 1 1  -16    0   11 o   3.6870   0.4913   3.6870   0.4913   3.6870   0.4913 -0.000000 0.000000 
1 1 1  -16    0   12 o   19.530   0.2694   19.530   0.2694   19.530   0.2694 -0.000000 0.000000 
1 1 1  -16    0   13 o   36.310   0.2767   36.310   0.2767   36.310   0.2767 -0.000000 0.000000 
1 1 1  -16    0   14 o   2.1270   0.9590   2.1270   0.9590   2.1270   0.9590 -0.000000 0.000000 
1 1 1  -16    0   15 o   42.590   0.3205   42.590   0.3205   42.590   0.3205 -0.000000 0.000000 
1 1 1  -16    0   16 o   10.030   0.3037   10.030   0.3037   10.030   0.3037 -0.000000 0.000000 
1 1 1  -16    0   17 o   26.300   0.2427   26.300   0.2427   26.300   0.2427 -0.000000 0.000000 
1 1 1  -16    0   18 o   2.5260   1.1320   2.5260   1.1320   2.5260   1.1320 -0.000000 0.000000 
1 1 1  -16    0   19 o   7.8890   0.4495   7.8890   0.4495   7.8890   0.4495 -0.000000 0.000000 
1 1 1  -16    0   20 o   18.380   0.3575   18.380   0.3575   18.380   0.3575 -0.000000 0.000000 
1 1 1  -16    0   21 o   17.000   0.2656   17.000   0.2656   17.000   0.2656 -0.000000 0.000000 
1 1 1  -16    0   22 o   18.410   0.2664   18.410   0.2664   18.410   0.2664 -0.000000 0.000000 
1 1 1  -16    0   23 o   21.740   0.2625   21.740   0.2625   21.740   0.2625 -0.000000 0.000000 
1 1 1  -16    0   24 o   19.510   0.3790   19.510   0.3790   19.510   0.3790 -0.000000 0.000000 
1 1 1  -16    0   25 f   21.190   0.2722   21.190   0.2722   21.190   0.2722 -0.000000 0.000000 
1 1 1  -16    0   26 o   5.4500   0.8122   5.4500   0.8122   5.4500   0.8122 -0.000000 0.000000 
1 1 1  -16    0   27 o   8.2620   0.6199   8.2620   0.6199   8.2620   0.6199 -0.000000 0.000000 
1 1 1  -16    0   28 o   10.200   0.4538   10.200   0.4538   10.200   0.4538 -0.000000 0.000000 
1 1 1  -16    0   29 o   2.3240   1.1890   2.3240   1.1890   2.3240   1.1890 -0.000000 0.000000 
1 1 1  -16    0   30 o   12.600   0.3995   12.600   0.3995   12.600   0.3995 -0.000000 0.000000 
1 1 1  -16    0   31 o   7.6160   0.6010   7.6160   0.6010   7.6160   0.6010 -0.000000 0.000000 
1 1 1  -16    0   32 o   6.8930   0.8493   6.8930   0.8493   6.8930   0.8493 -0.000000 0.000000 
1 1 1  -16    0   33 o   2.6450   1.3480   2.6450   1.3480   2.6450   1.3480 -0.000000 0.000000 
1 1 1  -16    0   34 f   7.2930   0.6589   7.2930   0.6589   7.2930   0.6589 -0.000000 0.000000 
1 1 1  -16    2    1 o   6.6760   0.1112   6.5830   0.1642   6.7680   0.1500 -0.1852000 0.2224000 
1 1 1  -16    2    2 o   50.170   0.2725   50.580   0.4149   49.770   0.3532 0.8107000 0.5449000 
1 1 1  -16    2    3 o   18.910   0.1340   19.000   0.2234   18.820   0.1481 0.1716000 0.2680000 
1 1 1  -16    2    4 o   23.020   0.2159   22.570   0.3514   23.460   0.2509 -0.8888000 0.4318000 
1 1 1  -16    2    5 f   44.250   0.2879   44.460   0.3656   44.040   0.4447 0.4168000 0.5757000 
1 1 1  -16    2    6 o   47.810   0.3110   48.130   0.3961   47.490   0.4797 0.6431000 0.6221000 
1 1 1  -16    2    7 o   24.160   0.1546   24.020   0.2171   24.290   0.2202 -0.2700000 0.3092000 
1 1 1  -16    2    8 o   13.180   0.1202   13.270   0.1573   13.090   0.1819 0.1725000 0.2405000 
1 1 1  -16    2    9 o   24.560   0.1516   24.510   0.1979   24.610   0.2297 -0.9990000E-01 0.3032000 
1 1 1  -16    2   10 o   7.9980   0.1747   8.0830   0.2283   7.9120   0.2644 0.1714000 0.3493000 
1 1 1  -16    2   11 o   37.750   0.2572   37.750   0.3253   37.750   0.3986 -0.3815000E-02 0.5145000 
1 1 1  -16    2   12 o   20.430   0.1790   20.540   0.2274   20.330   0.2765 0.2094000 0.3580000 
1 1 1  -16    2   13 o   25.170   0.1664   24.990   0.2171   25.340   0.2523 -0.3448000 0.3328000 
1 1 1  -16    2   14 o   33.160   0.2004   33.480   0.2641   32.840   0.3016 0.6393000 0.4009000 
1 1 1  -16    2   15 o   25.520   0.1759   25.670   0.2318   25.360   0.2647 0.3151000 0.3519000 
1 1 1  -16    2   16 o   34.320   0.2116   34.210   0.2764   34.430   0.3206 -0.2196000 0.4233000 
1 1 1  -16    2   17 o   49.150   0.2806   48.920   0.3658   49.390   0.4256 -0.4758000 0.5612000 
1 1 1  -16    2   18 o   37.030   0.2579   37.500   0.3007   36.570   0.4190 0.9276000 0.5157000 
1 1 1  -16    2   19 o   29.780   0.2061   29.930   0.2725   29.620   0.3092 0.3048000 0.4122000 
1 1 1  -16    2   20 o   17.950   0.2604   17.930   0.3720   17.970   0.3646 -0.4336000E-01 0.5209000 
1 1 1  -16    2   21 o   39.500   0.2425   39.330   0.3176   39.660   0.3665 -0.3277000 0.4850000 
1 1 1  -16    2   22 o   32.390   0.2171   32.590   0.2871   32.190   0.3256 0.4060000 0.4341000 
1 1 1  -16    2   23 o   19.130   0.1997   19.300   0.2672   18.970   0.2970 0.3311000 0.3995000 
1 1 1  -16    2   24 o   14.530   0.2820   14.330   0.3665   14.730   0.4288 -0.4035000 0.5640000 
1 1 1  -16    2   25 o   3.4380   0.8230   3.6180   1.1630   3.2590   1.1640 0.3590000 1.646000 
1 1 1  -16    2   26 o   7.5450   0.4358   6.9140   0.7021   8.1760   0.5165 -1.262000 0.8716000 
1 1 1  -16    2   27 o   4.8040   0.5853   4.5970   0.8187   5.0110   0.8365 -0.4135000 1.171000 
1 1 1  -16    2   28 o   15.560   0.3250   15.430   0.3033   15.690   0.5748 -0.2640000 0.6499000 
1 1 1  -16    2   29 o   14.310   0.3407   14.980   0.3081   13.650   0.6078 1.328000 0.6814000 
1 1 1  -16    2   30 o   11.770   0.2789   11.560   0.3761   11.990   0.4121 -0.4367000 0.5579000 
1 1 1  -16    2   31 o   6.8800   0.4298   6.7250   0.5819   7.0360   0.6326 -0.3114000 0.8595000 
1 1 1  -16    2   32 o   5.5530   0.7377   5.9090   0.9909   5.1960   1.0930 0.7130000 1.475000 
1 1 1  -16    2   33 o   2.1050   0.6778   2.0880   0.9316   2.1220   0.9848 -0.3321000E-01 1.356000 
1 1 1  -16    2   34 o   4.0110   0.7540   4.0500   1.0240   3.9720   1.1070 0.7834000E-01 1.508000 
1 1 1  -16    4    1 o   33.650   0.1899   33.880   0.2877   33.430   0.2480 0.4444000 0.3798000 
1 1 1  -16    4    2 o   39.640   0.2036   39.470   0.2865   39.810   0.2893 -0.3356000 0.4072000 
1 1 1  -16    4    3 o   27.760   0.1619   27.260   0.2421   28.260   0.2150 -0.9977000 0.3238000 
1 1 1  -16    4    4 f   32.450   0.1849   32.480   0.2803   32.430   0.2413 0.4704000E-01 0.3698000 
1 1 1  -16    4    5 o   30.600   0.2335   30.290   0.3269   30.910   0.3334 -0.6212000 0.4669000 
1 1 1  -16    4    6 o   29.320   0.3207  ?   ?    29.320   0.3207      ?      ? 
1 1 1  -16    4    7 o   28.670   0.2234   28.460   0.3162   28.870   0.3158 -0.4095000 0.4469000 
1 1 1  -16    4    8 o   13.120   0.1439   13.460   0.2054   12.770   0.2016 0.6899000 0.2878000 
1 1 1  -16    4    9 o   35.250   0.2178   35.480   0.3098   35.030   0.3062 0.4535000 0.4356000 
1 1 1  -16    4   10 o   47.240   0.3457   46.590   0.4830   47.890   0.4946 -1.300000 0.6913000 
1 1 1  -16    4   11 f   15.520   0.1775   15.400   0.2278   15.650   0.2721 -0.2482000 0.3549000 
1 1 1  -16    4   12 o   24.460   0.1979   24.850   0.2540   24.080   0.3036 0.7712000 0.3959000 
1 1 1  -16    4   13 o   30.310   0.1885   30.500   0.2486   30.110   0.2835 0.3846000 0.3770000 
1 1 1  -16    4   14 o   51.730   0.2903   51.640   0.3794   51.820   0.4394 -0.1810000 0.5806000 
1 1 1  -16    4   15 o   41.620   0.2430   41.560   0.3177   41.670   0.3678 -0.1146000 0.4860000 
1 1 1  -16    4   16 o   15.620   0.1862   15.650   0.2448   15.600   0.2806 0.5602000E-01 0.3724000 
1 1 1  -16    4   17 o   55.010   0.3099   54.990   0.4059   55.030   0.4684 -0.3878000E-01 0.6198000 
1 1 1  -16    4   18 o   17.860   0.1920   18.040   0.2546   17.680   0.2876 0.3558000 0.3841000 
1 1 1  -16    4   19 o   25.720   0.2354   25.690   0.2994   25.750   0.3634 -0.5181000E-01 0.4709000 
1 1 1  -16    4   20 o   4.1840   0.6866   4.4510   0.9611   3.9180   0.9809 0.5331000 1.373000 
1 1 1  -16    4   21 o   32.680   0.2167   32.910   0.2870   32.450   0.3247 0.4578000 0.4334000 
1 1 1  -16    4   22 o   17.600   0.2030   17.270   0.2754   17.930   0.2983 -0.6613000 0.4060000 
1 1 1  -16    4   23 o   11.120   0.2854   11.110   0.4193   11.130   0.3875 -0.2711000E-01 0.5709000 
1 1 1  -16    4   24 o   13.320   0.4254   13.470   0.6363   13.180   0.5647 0.2881000 0.8507000 
1 1 1  -16    4   25 o   11.780   0.2747   12.020   0.3939   11.550   0.3831 0.4691000 0.5494000 
1 1 1  -16    4   26 o   10.480   0.2817   10.700   0.3690   10.270   0.4257 0.4253000 0.5633000 
1 1 1  -16    4   27 o   11.420   0.2711   11.420   0.3570   11.410   0.4080 0.1128000E-01 0.5421000 
1 1 1  -16    4   28 o   6.1740   0.4680   6.3160   0.6037   6.0320   0.7153 0.2848000 0.9360000 
1 1 1  -16    4   29 o   8.8370   0.4094   9.0900   0.4369   8.5840   0.6925 0.5062000 0.8188000 
1 1 1  -16    4   30 o   18.240   0.3234   18.480   0.2966   18.000   0.5747 0.4795000 0.6468000 
1 1 1  -16    4   31 o   2.5200   0.7562   2.8000   1.1000   2.2400   1.0380 0.5601000 1.512000 
1 1 1  -16    4   32 o   3.9740   0.7285   5.1160   0.9621   2.8320   1.0940 2.284000 1.457000 
1 1 1  -16    4   33 o   2.0560   0.6598   2.0490   0.9195   2.0620   0.9465 -0.1393000E-01 1.320000 
1 1 1  -16    4   34 o   2.3960   0.7220   2.3980   1.0070   2.3950   1.0350 0.2520000E-02 1.444000 
1 1 1  -16    6    1 o   40.840   0.2130   41.000   0.3021   40.670   0.3003 0.3333000 0.4260000 
1 1 1  -16    6    2 o   32.150   0.1741   31.920   0.2446   32.380   0.2478 -0.4614000 0.3482000 
1 1 1  -16    6    3 o   21.660   0.1355   21.410   0.1899   21.910   0.1932 -0.4935000 0.2709000 
1 1 1  -16    6    4 o   37.520   0.2138   36.900   0.3194   38.140   0.2843 -1.235000 0.4276000 
1 1 1  -16    6    5 o   21.310   0.1469   21.260   0.2223   21.360   0.1920 -0.1021000 0.2937000 
1 1 1  -16    6    6 o   35.250   0.2192   35.260   0.3100   35.250   0.3101 0.6248000E-02 0.4385000 
1 1 1  -16    6    7 o   20.310   0.1947   20.140   0.2753   20.480   0.2755 -0.3429000 0.3895000 
1 1 1  -16    6    8 o   16.610   0.1930   16.670   0.2762   16.550   0.2696 0.1227000 0.3860000 
1 1 1  -16    6    9 o   31.110   0.2027   30.970   0.2857   31.250   0.2877 -0.2763000 0.4054000 
1 1 1  -16    6   10 o   33.780   0.2663   34.540   0.3854   33.010   0.3677 1.530000 0.5327000 
1 1 1  -16    6   11 o   40.260   0.2791   40.130   0.3533   40.380   0.4321 -0.2571000 0.5582000 
1 1 1  -16    6   12 o   26.580   0.1904   26.750   0.2719   26.400   0.2665 0.3418000 0.3807000 
1 1 1  -16    6   13 o   43.740   0.2701   43.850   0.3837   43.630   0.3801 0.2245000 0.5401000 
1 1 1  -16    6   14 o   28.430   0.2531   28.570   0.3619   28.290   0.3539 0.2785000 0.5062000 
1 1 1  -16    6   15 o   6.1780   0.4181   5.9270   0.6322   6.4280   0.5473 -0.5016000 0.8361000 
1 1 1  -16    6   16 o   49.770   0.3049   49.890   0.4333   49.640   0.4292 0.2496000 0.6099000 
1 1 1  -16    6   17 o   2.2520   0.6785   2.3480   0.9916   2.1560   0.9264 0.1918000 1.357000 
1 1 1  -16    6   18 o   28.110   0.2419   28.170   0.3064   28.050   0.3744 0.1198000 0.4839000 
1 1 1  -16    6   19 o   22.710   0.2095   22.670   0.2999   22.750   0.2927 -0.7631000E-01 0.4191000 
1 1 1  -16    6   20 o   2.8040   0.6851   2.0840   0.9005   3.5240   1.0330 -1.441000 1.370000 
1 1 1  -16    6   21 o   29.380   0.2109   29.060   0.2790   29.710   0.3163 -0.6445000 0.4218000 
1 1 1  -16    6   22 o   14.250   0.2674   14.450   0.4145   14.040   0.3380 0.4075000 0.5348000 
1 1 1  -16    6   23 o   13.660   0.3749   13.360   0.6381   13.960   0.3938 -0.6054000 0.7499000 
1 1 1  -16    6   24 o   6.2620   0.5717   7.6250   0.5615   4.8980   0.9961 2.726000 1.143000 
1 1 1  -16    6   25 o   5.1660   0.5369   5.8100   0.6412   4.5210   0.8613 1.290000 1.074000 
1 1 1  -16    6   26 o   2.4390   0.6880   2.2200   0.9405   2.6580   1.0040 -0.4376000 1.376000 
1 1 1  -16    6   27 o   9.7570   0.2986   9.7480   0.4048   9.7650   0.4390 -0.1686000E-01 0.5971000 
1 1 1  -16    6   28 f   3.7340   0.7095   3.9140   0.9201   3.5550   1.0800 0.3595000 1.419000 
1 1 1  -16    6   29 o   14.190   0.2486   14.010   0.3284   14.370   0.3734 -0.3558000 0.4973000 
1 1 1  -16    6   30 o   4.8670   0.6298   4.4020   0.9081   5.3330   0.8730 -0.9312000 1.260000 
1 1 1  -16    6   31 o   4.3430   0.9135   3.8660   1.1160   4.8210   1.4470 -0.9553000 1.827000 
1 1 1  -16    6   32 o   7.3710   0.5395   8.3750   0.6030   6.3670   0.8948 2.008000 1.079000 
1 1 1  -16    6   33 o   2.0120   0.6550   1.8890   0.8786   2.1350   0.9717 -0.2461000 1.310000 
1 1 1  -16    8    1 o   21.510   0.1543   21.380   0.2031   21.630   0.2324 -0.2511000 0.3086000 
1 1 1  -16    8    2 o   7.4220   0.2059   8.0620   0.2668   6.7810   0.3137 1.282000 0.4118000 
1 1 1  -16    8    3 o   7.0530   0.2308   7.5410   0.2835   6.5640   0.3642 0.9765000 0.4615000 
1 1 1  -16    8    4 o   23.750   0.1634   23.530   0.2471   23.960   0.2138 -0.4256000 0.3268000 
1 1 1  -16    8    5 o   16.290   0.1548   16.420   0.2352   16.150   0.2012 0.2722000 0.3095000 
1 1 1  -16    8    6 o   15.350   0.1598   15.310   0.2433   15.400   0.2074 -0.8882000E-01 0.3197000 
1 1 1  -16    8    7 o   37.420   0.2642   37.120   0.3312   37.720   0.4117 -0.5981000 0.5284000 
1 1 1  -16    8    8 o   17.850   0.1908   18.080   0.2449   17.620   0.2927 0.4629000 0.3817000 
1 1 1  -16    8    9 o   23.900   0.2042   24.170   0.2598   23.630   0.3150 0.5420000 0.4083000 
1 1 1  -16    8   10 o   30.640   0.2080   30.960   0.2964   30.330   0.2919 0.6361000 0.4160000 
1 1 1  -16    8   11 o   22.030   0.1847   22.160   0.2630   21.910   0.2595 0.2486000 0.3694000 
1 1 1  -16    8   12 o   40.960   0.2586   40.990   0.3667   40.930   0.3649 0.6067000E-01 0.5173000 
1 1 1  -16    8   13 o   26.330   0.2038   26.440   0.2904   26.230   0.2860 0.2059000 0.4075000 
1 1 1  -16    8   14 o   18.020   0.2054   17.990   0.2963   18.060   0.2845 -0.6983000E-01 0.4107000 
1 1 1  -16    8   15 o   30.710   0.2209   30.840   0.3156   30.590   0.3092 0.2525000 0.4418000 
1 1 1  -16    8   16 o   31.720   0.2800   32.200   0.4034   31.250   0.3885 0.9488000 0.5600000 
1 1 1  -16    8   17 o   25.200   0.3797   25.200   0.3797  ?   ?       ?      ? 
1 1 1  -16    8   18 o   24.340   0.2166   23.770   0.3122   24.920   0.3002 -1.149000 0.4331000 
1 1 1  -16    8   19 o   34.040   0.2682   34.120   0.4174   33.960   0.3370 0.1632000 0.5365000 
1 1 1  -16    8   20 o   19.820   0.2389   19.790   0.3706   19.850   0.3017 -0.5872000E-01 0.4779000 
1 1 1  -16    8   21 o   9.8210   0.3454   9.6370   0.5412  10.0000   0.4295 -0.3671000 0.6909000 
1 1 1  -16    8   22 o   35.590   0.2782   35.490   0.3573   35.680   0.4264 -0.1889000 0.5563000 
1 1 1  -16    8   23 o   8.8880   0.3807   9.3470   0.4739   8.4290   0.5959 0.9178000 0.7613000 
1 1 1  -16    8   24 o   15.380   0.2425   15.560   0.3450   15.200   0.3409 0.3592000 0.4850000 
1 1 1  -16    8   25 o   8.8570   0.3156   9.0840   0.4203   8.6310   0.4710 0.4530000 0.6313000 
1 1 1  -16    8   26 o   1.9440   0.6186   2.1580   0.9251   1.7310   0.8214 0.4277000 1.237000 
1 1 1  -16    8   27 o   6.4850   0.4448   7.3450   0.5393   5.6250   0.7073 1.720000 0.8895000 
1 1 1  -16    8   28 o   6.3690   0.4570   5.6590   0.7041   7.0790   0.5826 -1.420000 0.9139000 
1 1 1  -16    8   29 o   3.9080   0.6906   3.3430   1.0290   4.4740   0.9214 -1.131000 1.381000 
1 1 1  -16    8   30 o   5.9280   0.6207   5.5940   0.8493   6.2630   0.9055 -0.6691000 1.241000 
1 1 1  -16    8   31 o   10.930   0.3309   11.010   0.4741   10.850   0.4617 0.1566000 0.6617000 
1 1 1  -16    8   32 o   10.410   0.4620   9.7520   0.4686   11.060   0.7963 -1.309000 0.9240000 
1 1 1  -16    8   33 o   3.7700   0.8063   4.6230   0.9383   2.9180   1.3110 1.704000 1.613000 
1 1 1  -16   10    1 o   34.300   0.2250   34.570   0.3201   34.040   0.3162 0.5302000 0.4499000 
1 1 1  -16   10    2 o   6.4050   0.4024   6.8660   0.4390   5.9450   0.6745 0.9211000 0.8048000 
1 1 1  -16   10    3 f   36.850   0.2365   36.960   0.3352   36.730   0.3335 0.2264000 0.4729000 
1 1 1  -16   10    4 o   19.510   0.1794   19.240   0.2551   19.790   0.2524 -0.5470000 0.3589000 
1 1 1  -16   10    5 o   32.990   0.2191   32.990   0.3098   33.000   0.3098 -0.6065000E-02 0.4381000 
1 1 1  -16   10    6 o   19.950   0.1700   19.910   0.2567   19.980   0.2229 -0.6821000E-01 0.3400000 
1 1 1  -16   10    7 o   34.140   0.2114   34.040   0.3197   34.240   0.2767 -0.1956000 0.4228000 
1 1 1  -16   10    8 f   44.710   0.2773   44.540   0.3906   44.870   0.3936 -0.3337000 0.5545000 
1 1 1  -16   10    9 o   27.930   0.2053   27.960   0.2912   27.900   0.2895 0.5763000E-01 0.4106000 
1 1 1  -16   10   10 o   88.140   0.5147   87.900   0.7260   88.390   0.7298 -0.4928000 1.029000 
1 1 1  -16   10   11 f   13.920   0.2628   13.660   0.3138   14.180   0.4216 -0.5198000 0.5255000 
1 1 1  -16   10   12 o   28.250   0.2125   28.230   0.3007   28.260   0.3004 -0.2628000E-01 0.4250000 
1 1 1  -16   10   13 o   12.890   0.2395   12.790   0.3429   13.000   0.3344 -0.2192000 0.4790000 
1 1 1  -16   10   14 o   36.320   0.3019   36.570   0.4316   36.070   0.4222 0.4987000 0.6037000 
1 1 1  -16   10   15 o   29.980   0.2763   29.920   0.3934   30.050   0.3880 -0.1289000 0.5525000 
1 1 1  -16   10   16 o   6.4960   0.5030   5.4770   0.8228   7.5150   0.5788 -2.039000 1.006000 
1 1 1  -16   10   17 o   34.980   0.2724   35.170   0.4247   34.790   0.3413 0.3852000 0.5449000 
1 1 1  -16   10   18 o   14.910   0.2664   15.240   0.4094   14.570   0.3411 0.6697000 0.5329000 
1 1 1  -16   10   19 o   25.630   0.2448   25.870   0.3815   25.390   0.3070 0.4774000 0.4897000 
1 1 1  -16   10   20 o   13.280   0.3355   13.230   0.5202   13.330   0.4238 -0.1042000 0.6710000 
1 1 1  -16   10   21 o   22.320   0.2713   22.200   0.3970   22.450   0.3698 -0.2488000 0.5425000 
1 1 1  -16   10   22 o   9.8950   0.3243   10.260   0.4492   9.5330   0.4677 0.7238000 0.6485000 
1 1 1  -16   10   23 o   6.7010   0.4960   6.3690   0.6744   7.0340   0.7274 -0.6643000 0.9919000 
1 1 1  -16   10   24 o   9.3600   0.3393   9.1890   0.4961   9.5320   0.4630 -0.3428000 0.6786000 
1 1 1  -16   10   25 o   5.6850   0.5236   5.8200   0.7574   5.5500   0.7233 0.2692000 1.047000 
1 1 1  -16   10   26 o   2.2310   0.6703   2.4260   0.9805   2.0370   0.9144 0.3883000 1.341000 
1 1 1  -16   10   27 f   2.4660   0.7059   2.2010   0.9441   2.7310   1.0500 -0.5300000 1.412000 
1 1 1  -16   10   28 f   9.6160   0.3160   9.5160   0.4340   9.7150   0.4595 -0.1993000 0.6320000 
1 1 1  -16   10   29 o   3.8490   0.7654   4.7520   0.9677   2.9450   1.1860 1.806000 1.531000 
1 1 1  -16   10   30 o   5.2760   0.6037   6.3140   0.6515   4.2390   1.0170 2.075000 1.207000 
1 1 1  -16   10   31 o   3.1410   0.7877   3.1990   1.1390   3.0830   1.0880 0.1164000 1.575000 
1 1 1  -16   10   32 o   6.4990   0.4927   6.8740   0.6340   6.1240   0.7544 0.7493000 0.9854000 
1 1 1  -16   12    1 o   29.820   0.1842   29.700   0.2598   29.940   0.2613 -0.2426000 0.3684000 
1 1 1  -16   12    2 o   10.860   0.2086   10.880   0.2945   10.840   0.2955 0.3910000E-01 0.4172000 
1 1 1  -16   12    3 o   23.910   0.1815   23.790   0.2386   24.030   0.2737 -0.2412000 0.3631000 
1 1 1  -16   12    4 o   27.850   0.1786   27.810   0.2522   27.890   0.2529 -0.7484000E-01 0.3571000 
1 1 1  -16   12    5 o   13.850   0.1822   14.030   0.2534   13.670   0.2618 0.3623000 0.3644000 
1 1 1  -16   12    6 o   25.220   0.2007   25.490   0.2866   24.950   0.2811 0.5403000 0.4014000 
1 1 1  -16   12    7 o   28.640   0.1991   28.810   0.3020   28.470   0.2596 0.3361000 0.3983000 
1 1 1  -16   12    8 o   1.8730   0.5980   2.0120   0.8956   1.7350   0.7927 0.2770000 1.196000 
1 1 1  -16   12    9 o   37.130   0.2311   36.900   0.3478   37.370   0.3044 -0.4772000 0.4622000 
1 1 1  -16   12   10 o   31.300   0.2254   30.940   0.3174   31.660   0.3201 -0.7241000 0.4508000 
1 1 1  -16   12   11 o   29.010   0.2193   28.990   0.3121   29.040   0.3083 -0.5754000E-01 0.4387000 
1 1 1  -16   12   12 o   37.800   0.3133   38.190   0.4450   37.410   0.4410 0.7790000 0.6265000 
1 1 1  -16   12   13 o   14.650   0.3100   14.780   0.4191   14.520   0.4570 0.2592000 0.6201000 
1 1 1  -16   12   14 o   36.200   0.2512   36.450   0.3576   35.960   0.3527 0.4879000 0.5023000 
1 1 1  -16   12   15 o   14.750   0.2523   14.920   0.3588   14.580   0.3548 0.3353000 0.5046000 
1 1 1  -16   12   16 o   45.800   0.3290   46.270   0.5139   45.330   0.4110 0.9368000 0.6580000 
1 1 1  -16   12   17 o   26.990   0.2493   26.830   0.3883   27.150   0.3128 -0.3206000 0.4986000 
1 1 1  -16   12   18 o   15.540   0.2429   15.830   0.3509   15.250   0.3358 0.5752000 0.4857000 
1 1 1  -16   12   19 o   11.910   0.3583   11.870   0.5396   11.940   0.4717 -0.6807000E-01 0.7167000 
1 1 1  -16   12   20 o   21.730   0.2242   22.030   0.3234   21.420   0.3106 0.6095000 0.4484000 
1 1 1  -16   12   21 o   16.550   0.2669   16.550   0.3512   16.560   0.4020 -0.1241000E-01 0.5337000 
1 1 1  -16   12   22 o   10.290   0.3485   10.040   0.4712   10.540   0.5137 -0.4933000 0.6971000 
1 1 1  -16   12   23 o   9.2560   0.3491   9.0130   0.5187   9.4990   0.4674 -0.4867000 0.6982000 
1 1 1  -16   12   24 o   12.370   0.2853   12.130   0.4222   12.620   0.3839 -0.4861000 0.5706000 
1 1 1  -16   12   25 o   4.4310   0.7046   4.3990   1.0410   4.4630   0.9502 -0.6497000E-01 1.409000 
1 1 1  -16   12   26 o   5.6010   0.5915   6.7710   0.6890   4.4320   0.9616 2.338000 1.183000 
1 1 1  -16   12   27 o   6.6310   0.4701   6.7020   0.6735   6.5600   0.6559 0.1421000 0.9401000 
1 1 1  -16   12   28 o   4.1340   0.8506   3.5730   1.2390   4.6960   1.1660 -1.124000 1.701000 
1 1 1  -16   12   29 o   2.1730   0.6758   2.1220   0.9374   2.2240   0.9736 -0.1018000 1.352000 
1 1 1  -16   12   30 o   2.3500   0.7189   2.3920   1.0320   2.3090   1.0010 0.8301000E-01 1.438000 
1 1 1  -16   12   31 o   2.0080   0.6486   2.0060   0.9152   2.0100   0.9194 -0.4844000E-02 1.297000 
1 1 1  -16   14    1 o   14.380   0.1987   14.620   0.2774   14.140   0.2847 0.4787000 0.3975000 
1 1 1  -16   14    2 o   12.400   0.2152   12.440   0.3053   12.370   0.3034 0.6948000E-01 0.4304000 
1 1 1  -16   14    3 o   16.310   0.2027   16.640   0.3047   15.980   0.2675 0.6571000 0.4054000 
1 1 1  -16   14    4 o   20.160   0.1794   20.390   0.2518   19.920   0.2555 0.4717000 0.3587000 
1 1 1  -16   14    5 o   29.020   0.1894   29.250   0.2681   28.790   0.2676 0.4545000 0.3788000 
1 1 1  -16   14    6 o   10.280   0.2772   10.590   0.4145   9.9770   0.3683 0.6161000 0.5545000 
1 1 1  -16   14    7 o   46.060   0.3259   45.910   0.5041   46.210   0.4131 -0.3019000 0.6518000 
1 1 1  -16   14    8 o   14.570   0.2672   14.540   0.4139   14.600   0.3382 -0.6546000E-01 0.5345000 
1 1 1  -16   14    9 o   34.970   0.2732   34.870   0.4229   35.070   0.3458 -0.1956000 0.5463000 
1 1 1  -16   14   10 o   11.280   0.2789   11.330   0.4252   11.220   0.3610 0.1130000 0.5578000 
1 1 1  -16   14   11 o   13.040   0.2700   13.060   0.3830   13.020   0.3806 0.3995000E-01 0.5400000 
1 1 1  -16   14   12 o   43.510   0.2842   43.190   0.4005   43.840   0.4032 -0.6580000 0.5683000 
1 1 1  -16   14   13 o   12.120   0.3208   11.940   0.4994   12.300   0.4029 -0.3593000 0.6417000 
1 1 1  -16   14   14 o   46.040   0.3325   46.100   0.5151   45.990   0.4208 0.1027000 0.6651000 
1 1 1  -16   14   15 o   5.7630   0.6167   6.1790   0.8941   5.3470   0.8496 0.8319000 1.233000 
1 1 1  -16   14   16 o   15.340   0.4518   15.340   0.4518  ?   ?       ?      ? 
1 1 1  -16   14   17 o   19.960   0.2828   20.150   0.4119   19.780   0.3875 0.3746000 0.5655000 
1 1 1  -16   14   18 o   5.2750   0.6084   5.0800   0.9181   5.4700   0.7986 -0.3903000 1.217000 
1 1 1  -16   14   19 o   27.390   0.2315   27.660   0.3298   27.120   0.3248 0.5443000 0.4629000 
1 1 1  -16   14   20 o   15.740   0.2705   16.140   0.3510   15.330   0.4117 0.8136000 0.5411000 
1 1 1  -16   14   21 o   16.010   0.2474   16.250   0.3529   15.780   0.3468 0.4708000 0.4947000 
1 1 1  -16   14   22 o   13.030   0.2778   12.550   0.4058   13.500   0.3796 -0.9426000 0.5557000 
1 1 1  -16   14   23 o   2.5180   0.7268   2.3600   1.0060   2.6760   1.0490 -0.3157000 1.454000 
1 1 1  -16   14   24 o   13.690   0.2717   13.470   0.3955   13.910   0.3728 -0.4369000 0.5435000 
1 1 1  -16   14   25 o   6.8580   0.4711   7.7150   0.6057   6.0010   0.7217 1.715000 0.9422000 
1 1 1  -16   14   26 o   2.8160   0.8040   3.3500   1.2260   2.2820   1.0410 1.068000 1.608000 
1 1 1  -16   14   27 o   5.6480   0.6750   6.4350   0.9539   4.8620   0.9552 1.574000 1.350000 
1 1 1  -16   14   28 o   5.3470   0.6422   6.0810   0.8094   4.6140   0.9974 1.467000 1.284000 
1 1 1  -16   14   29 o   3.4280   0.7607   2.5750   1.1190   4.2810   1.0300 -1.705000 1.521000 
1 1 1  -16   14   30 o   3.9500   0.7891   4.4390   1.1150   3.4610   1.1170 0.9779000 1.578000 
1 1 1  -16   16    1 f   40.530   0.2341   40.400   0.3297   40.660   0.3323 -0.2652000 0.4681000 
1 1 1  -16   16    2 o   19.270   0.1946   19.300   0.2737   19.230   0.2767 0.7490000E-01 0.3892000 
1 1 1  -16   16    3 o   25.600   0.1924   25.670   0.2719   25.530   0.2722 0.1420000 0.3848000 
1 1 1  -16   16    4 o   22.440   0.1905   22.490   0.2678   22.400   0.2709 0.8957000E-01 0.3809000 
1 1 1  -16   16    5 o   9.0880   0.3081   8.9610   0.4403   9.2150   0.4311 -0.2540000 0.6162000 
1 1 1  -16   16    6 f   20.630   0.2107   20.560   0.3209   20.700   0.2733 -0.1338000 0.4215000 
1 1 1  -16   16    7 o   20.740   0.2110   20.880   0.3193   20.600   0.2759 0.2768000 0.4219000 
1 1 1  -16   16    8 o   16.470   0.2432   16.160   0.3505   16.780   0.3373 -0.6185000 0.4864000 
1 1 1  -16   16    9 o   19.020   0.2596   19.110   0.4037   18.930   0.3265 0.1817000 0.5193000 
1 1 1  -16   16   10 f   20.960   0.2509   21.190   0.3863   20.740   0.3202 0.4525000 0.5017000 
1 1 1  -16   16   11 o   17.360   0.2485   17.460   0.3993   17.250   0.2957 0.2072000 0.4969000 
1 1 1  -16   16   12 o   13.390   0.2801   13.680   0.4446   13.090   0.3409 0.5958000 0.5602000 
1 1 1  -16   16   13 o   18.990   0.3452   18.480   0.5664   19.490   0.3947 -1.006000 0.6903000 
1 1 1  -16   16   14 f   10.280   0.4201   9.9190   0.6298   10.630   0.5562 -0.7149000 0.8402000 
1 1 1  -16   16   15 o   14.320   0.2708   14.520   0.3746   14.110   0.3912 0.4160000 0.5416000 
1 1 1  -16   16   16 o   9.0870   0.3775   9.0220   0.5242   9.1520   0.5435 -0.1297000 0.7551000 
1 1 1  -16   16   17 o   12.580   0.2891   12.760   0.3943   12.390   0.4229 0.3709000 0.5782000 
1 1 1  -16   16   18 o   7.7120   0.4676   7.4340   0.6211   7.9900   0.6991 -0.5556000 0.9351000 
1 1 1  -16   16   19 o   14.980   0.2601   15.080   0.3661   14.870   0.3697 0.2133000 0.5203000 
1 1 1  -16   16   20 o   17.230   0.2427   17.210   0.3449   17.240   0.3414 -0.2878000E-01 0.4853000 
1 1 1  -16   16   21 o   4.8280   0.6516   5.2060   0.8562   4.4510   0.9825 0.7547000 1.303000 
1 1 1  -16   16   22 o   2.7160   0.7255   2.1480   0.9676   3.2840   1.0810 -1.136000 1.451000 
1 1 1  -16   16   23 o   12.160   0.2958   11.730   0.4343   12.590   0.4017 -0.8587000 0.5916000 
1 1 1  -16   16   24 o   2.6980   0.7599   2.7160   1.0850   2.6810   1.0640 0.3513000E-01 1.520000 
1 1 1  -16   16   25 o   2.8740   0.8033   3.5130   1.2260   2.2350   1.0390 1.278000 1.607000 
1 1 1  -16   16   26 o   9.2120   0.3818   9.0850   0.5609   9.3390   0.5183 -0.2544000 0.7636000 
1 1 1  -16   16   27 o   7.1120   0.5276   8.4910   0.6932   5.7320   0.7955 2.759000 1.055000 
1 1 1  -16   16   28 o   6.8340   0.5600   6.4890   0.9047   7.1800   0.6601 -0.6914000 1.120000 
1 1 1  -16   16   29 o   5.6970   0.6177   6.1560   0.8355   5.2390   0.9102 0.9174000 1.235000 
1 1 1  -16   18    1 o   8.1850   0.3582   8.1060   0.5107   8.2630   0.5024 -0.1566000 0.7164000 
1 1 1  -16   18    2 o   32.880   0.2134   32.680   0.3005   33.090   0.3031 -0.4065000 0.4268000 
1 1 1  -16   18    3 o   10.420   0.2923   10.280   0.4150   10.560   0.4117 -0.2878000 0.5846000 
1 1 1  -16   18    4 o   28.290   0.2029   28.660   0.2866   27.930   0.2872 0.7339000 0.4057000 
1 1 1  -16   18    5 o   4.1670   0.6602   3.3790   1.0400   4.9550   0.8128 -1.577000 1.320000 
1 1 1  -16   18    6 o   12.600   0.2488   12.590   0.3469   12.620   0.3567 -0.3027000E-01 0.4976000 
1 1 1  -16   18    7 o   21.340   0.2161   21.230   0.3261   21.450   0.2835 -0.2259000 0.4321000 
1 1 1  -16   18    8 o   19.630   0.2707   19.360   0.4254   19.900   0.3349 -0.5444000 0.5414000 
1 1 1  -16   18    9 o   27.120   0.3446   27.140   0.6051   27.100   0.3299 0.4900000E-01 0.6892000 
1 1 1  -16   18   10 o   9.2560   0.5727   9.7510   1.0040   8.7600   0.5514 0.9913000 1.145000 
1 1 1  -16   18   11 o   21.580   0.2460   21.500   0.4002   21.650   0.2861 -0.1463000 0.4920000 
1 1 1  -16   18   12 o   6.1090   0.5096   5.9470   0.7911   6.2720   0.6427 -0.3252000 1.019000 
1 1 1  -16   18   13 o   2.6640   0.7172   2.2310   0.9849   3.0970   1.0430 -0.8652000 1.434000 
1 1 1  -16   18   14 o   23.130   0.2176   23.120   0.3275   23.140   0.2867 -0.2717000E-01 0.4353000 
1 1 1  -16   18   15 o   5.0270   0.7092   5.1050   0.9020   4.9500   1.0950 0.1552000 1.418000 
1 1 1  -16   18   16 o   12.130   0.3257   12.520   0.4072   11.740   0.5085 0.7827000 0.6514000 
1 1 1  -16   18   17 o   10.190   0.3396   10.070   0.4743   10.310   0.4863 -0.2352000 0.6792000 
1 1 1  -16   18   18 o   8.4020   0.4000   7.7850   0.6008   9.0200   0.5282 -1.234000 0.7999000 
1 1 1  -16   18   19 o   4.5610   0.7118   4.8920   0.9646   4.2300   1.0470 0.6618000 1.424000 
1 1 1  -16   18   20 o   21.390   0.2385   21.560   0.3364   21.220   0.3383 0.3354000 0.4771000 
1 1 1  -16   18   21 o   12.900   0.2914   13.290   0.4037   12.510   0.4203 0.7798000 0.5828000 
1 1 1  -16   18   22 o   9.5970   0.3575   9.1400   0.5218   10.050   0.4889 -0.9147000 0.7150000 
1 1 1  -16   18   23 o   3.9380   0.8377   4.8170   1.1390   3.0580   1.2290 1.759000 1.675000 
1 1 1  -16   18   24 o   2.3980   0.7213   2.8410   1.1160   1.9540   0.9145 0.8871000 1.443000 
1 1 1  -16   18   25 o   3.0800   0.7520   2.3100   1.0170   3.8500   1.1080 -1.540000 1.504000 
1 1 1  -16   18   26 o   8.0350   0.4698   8.7820   0.6767   7.2880   0.6518 1.495000 0.9396000 
1 1 1  -16   18   27 o   6.2370   0.5670   6.5340   0.7762   5.9400   0.8268 0.5941000 1.134000 
1 1 1  -16   18   28 o   1.9470   0.6691   2.0000   0.9757   1.8950   0.9159 0.1054000 1.338000 
1 1 1  -16   20    1 o   11.760   0.2676   11.730   0.3760   11.790   0.3809 -0.5252000E-01 0.5352000 
1 1 1  -16   20    2 o   7.5960   0.3916   7.1150   0.5856   8.0770   0.5200 -0.9623000 0.7831000 
1 1 1  -16   20    3 o   20.480   0.2065   20.480   0.2909   20.480   0.2932 0.6012000E-02 0.4130000 
1 1 1  -16   20    4 o   13.550   0.2441   13.630   0.3400   13.480   0.3504 0.1434000 0.4883000 
1 1 1  -16   20    5 o   16.180   0.2215   16.170   0.3107   16.180   0.3157 -0.5892000E-02 0.4430000 
1 1 1  -16   20    6 o   11.080   0.2810   11.150   0.3930   11.020   0.4018 0.1297000 0.5621000 
1 1 1  -16   20    7 o   18.630   0.2609   18.610   0.4285   18.640   0.2979 -0.3159000E-01 0.5219000 
1 1 1  -16   20    8 o   4.2620   0.7142   3.0820   1.2130   5.4430   0.7533 -2.361000 1.428000 
1 1 1  -16   20    9 o   6.3000   0.5094   6.2290   0.7991   6.3720   0.6320 -0.1431000 1.019000 
1 1 1  -16   20   10 o   4.2320   0.7423   5.0770   0.9819   3.3870   1.1130 1.690000 1.485000 
1 1 1  -16   20   11 o   3.5840   0.7651   3.0610   1.1090   4.1070   1.0540 -1.046000 1.530000 
1 1 1  -16   20   12 o   3.5650   0.7341   4.4090   0.9997   2.7210   1.0750 1.688000 1.468000 
1 1 1  -16   20   13 o   6.1120   0.4901   6.4170   0.7034   5.8070   0.6825 0.6098000 0.9801000 
1 1 1  -16   20   14 o   10.640   0.3074   10.600   0.4644   10.680   0.4028 -0.8141000E-01 0.6148000 
1 1 1  -16   20   15 o   15.840   0.2404   15.820   0.3629   15.860   0.3156 -0.3986000E-01 0.4809000 
1 1 1  -16   20   16 o   7.1250   0.4419   6.5280   0.7005   7.7220   0.5389 -1.194000 0.8838000 
1 1 1  -16   20   17 o   6.0840   0.5595   6.3310   0.7385   5.8380   0.8407 0.4937000 1.119000 
1 1 1  -16   20   18 o   13.710   0.2835   13.570   0.3994   13.840   0.4024 -0.2685000 0.5669000 
1 1 1  -16   20   19 o   2.9330   0.7772   3.0280   1.1080   2.8390   1.0900 0.1887000 1.554000 
1 1 1  -16   20   20 o   9.4610   0.4809  10.0000   0.6180   8.9180   0.7369 1.086000 0.9618000 
1 1 1  -16   20   21 o   8.5090   0.5396   9.1090   0.6777   7.9090   0.8400 1.200000 1.079000 
1 1 1  -16   20   22 o   2.6150   0.7568   3.0000   1.1380   2.2310   0.9985 0.7691000 1.514000 
1 1 1  -16   20   23 f   3.5370   0.8104   3.0660   1.1490   4.0080   1.1430 -0.9418000 1.621000 
1 1 1  -16   20   24 o   5.5390   0.7049   6.6340   0.9161   4.4440   1.0710 2.190000 1.410000 
1 1 1  -16   20   25 o   3.7670   0.8107   3.4440   1.1780   4.0900   1.1140 -0.6466000 1.621000 
1 1 1  -16   20   26 o   2.1990   0.7298   2.0880   1.0090   2.3090   1.0550 -0.2216000 1.460000 
1 1 1  -16   22    1 o   9.2540   0.3246   9.4830   0.4424   9.0260   0.4751 0.4571000 0.6492000 
1 1 1  -16   22    2 o   3.8260   0.7186   4.0050   0.9927   3.6470   1.0390 0.3578000 1.437000 
1 1 1  -16   22    3 o   21.560   0.2257   22.110   0.3391   21.010   0.2981 1.108000 0.4515000 
1 1 1  -16   22    4 o   7.5170   0.4815   8.1860   0.7467   6.8490   0.6082 1.337000 0.9630000 
1 1 1  -16   22    5 o   9.9930   0.3722   9.9920   0.6088   9.9940   0.4284 -0.1955000E-02 0.7444000 
1 1 1  -16   22    6 o   9.5320   0.3941   9.0530   0.6626   10.010   0.4266 -0.9593000 0.7881000 
1 1 1  -16   22    7 o   8.0300   0.3977   8.0990   0.6035   7.9620   0.5181 0.1370000 0.7954000 
1 1 1  -16   22    8 o   14.680   0.2528   14.840   0.3845   14.520   0.3283 0.3247000 0.5056000 
1 1 1  -16   22    9 o   11.450   0.3011   11.220   0.4719   11.680   0.3740 -0.4584000 0.6022000 
1 1 1  -16   22   10 o   7.8370   0.4087   7.9980   0.6190   7.6770   0.5339 0.3209000 0.8175000 
1 1 1  -16   22   11 o   16.420   0.2414   16.230   0.3705   16.620   0.3096 -0.3927000 0.4828000 
1 1 1  -16   22   12 o   9.7160   0.3285   9.1680   0.5117   10.260   0.4119 -1.094000 0.6569000 
1 1 1  -16   22   13 o   8.1620   0.3855   7.8020   0.5988   8.5210   0.4857 -0.7190000 0.7710000 
1 1 1  -16   22   14 o   5.4990   0.5629   5.1490   0.8942   5.8490   0.6842 -0.6998000 1.126000 
1 1 1  -16   22   15 o   5.2020   0.5894   5.7270   0.8045   4.6770   0.8617 1.049000 1.179000 
1 1 1  -16   22   16 o   2.5650   0.7197   2.3120   1.0030   2.8170   1.0320 -0.5051000 1.439000 
1 1 1  -16   22   17 o   5.2520   0.7255   6.0200   0.9499   4.4850   1.0970 1.536000 1.451000 
1 1 1  -16   22   18 o   7.8790   0.4874   7.8570   0.7344   7.9020   0.6409 -0.4474000E-01 0.9748000 
1 1 1  -16   22   19 o   8.9690   0.4038   8.4300   0.5915   9.5080   0.5498 -1.078000 0.8076000 
1 1 1  -16   22   20 o   7.0400   0.5041   7.6880   0.6438   6.3930   0.7757 1.295000 1.008000 
1 1 1  -16   22   21 o   6.3370   0.5637   6.9670   0.7180   5.7070   0.8692 1.259000 1.127000 
1 1 1  -16   22   22 o   3.5290   0.8329   4.3330   1.2410   2.7240   1.1110 1.610000 1.666000 
1 1 1  -16   22   23 o   7.9080   0.4806   7.7850   0.6841   8.0310   0.6752 -0.2458000 0.9612000 
1 1 1  -16   22   24 o   2.8710   0.8597   3.1980   1.2890   2.5430   1.1370 0.6547000 1.719000 
1 1 1  -16   24    1 o   10.140   0.3089   9.7330   0.4555   10.550   0.4173 -0.8216000 0.6177000 
1 1 1  -16   24    2 o   10.860   0.3550   11.140   0.5754   10.570   0.4160 0.5665000 0.7100000 
1 1 1  -16   24    3 o   4.2280   0.7827   4.9450   1.1670   3.5110   1.0430 1.434000 1.565000 
1 1 1  -16   24    4 o   8.4070   0.3601   7.7900   0.5458   9.0250   0.4700 -1.235000 0.7203000 
1 1 1  -16   24    5 o   10.900   0.2856   11.170   0.3967   10.630   0.4111 0.5427000 0.5712000 
1 1 1  -16   24    6 o   5.1370   0.5613   5.2850   0.7716   4.9890   0.8155 0.2962000 1.123000 
1 1 1  -16   24    7 o   2.9500   0.7293   2.3730   1.0250   3.5260   1.0380 -1.153000 1.459000 
1 1 1  -16   24    8 o   8.8290   0.3737   8.2440   0.5919   9.4130   0.4565 -1.169000 0.7475000 
1 1 1  -16   24    9 o   3.8240   0.7565   4.0850   1.1120   3.5630   1.0260 0.5220000 1.513000 
1 1 1  -16   24   10 o   4.5910   0.6822   3.8910   1.1270   5.2920   0.7690 -1.401000 1.364000 
1 1 1  -16   24   11 o   6.7130   0.4707   7.2460   0.6700   6.1800   0.6614 1.066000 0.9415000 
1 1 1  -16   24   12 o   6.4150   0.5953   6.3420   0.9292   6.4870   0.7444 -0.1449000 1.191000 
1 1 1  -16   24   13 o   3.9670   0.8328   3.6510   1.2660   4.2840   1.0830 -0.6334000 1.666000 
1 1 1  -16   24   14 o   8.5020   0.4612   8.1150   0.7319   8.8890   0.5615 -0.7742000 0.9225000 
1 1 1  -16   24   15 o   6.5040   0.4946   6.2560   0.7859   6.7510   0.6008 -0.4943000 0.9892000 
1 1 1  -16   24   16 o   8.3400   0.3976   7.9460   0.6208   8.7340   0.4969 -0.7877000 0.7952000 
1 1 1  -16   24   17 o   5.7790   0.5613   5.8900   0.8349   5.6670   0.7504 0.2228000 1.123000 
1 1 1  -16   24   18 o   2.4470   0.7404   2.4130   1.0330   2.4800   1.0610 -0.6709000E-01 1.481000 
1 1 1  -16   24   19 o   2.1190   0.6985   2.2670   1.0400   1.9710   0.9332 0.2960000 1.397000 
1 1 1  -16   24   20 o   2.5590   0.7431   3.1990   1.1830   1.9190   0.8996 1.280000 1.486000 
1 1 1  -16   24   21 o   7.1800   0.6892   5.8800   1.1360   8.4800   0.7808 -2.600000 1.378000 
1 1 1  -16   24   22 o   2.6830   1.1860   2.6830   1.1860  ?   ?       ?      ? 
1 1 1  -16   26    1 o   2.8170   0.8069   3.2460   1.2420   2.3880   1.0310 0.8585000 1.614000 
1 1 1  -16   26    2 o   11.530   0.3280   11.200   0.4635   11.860   0.4641 -0.6571000 0.6559000 
1 1 1  -16   26    3 o   4.6860   0.7178   5.5980   0.8667   3.7740   1.1440 1.824000 1.436000 
1 1 1  -16   26    4 o   14.730   0.2804   15.250   0.3835   14.210   0.4091 1.044000 0.5607000 
1 1 1  -16   26    5 o   3.7920   0.7883   4.1280   1.0820   3.4560   1.1460 0.6715000 1.577000 
1 1 1  -16   26    6 o   4.6710   0.7179   4.7820   0.9727   4.5600   1.0560 0.2226000 1.436000 
1 1 1  -16   26    7 o   3.4020   0.8191   3.0330   1.1960   3.7710   1.1190 -0.7384000 1.638000 
1 1 1  -16   26    8 o   2.7140   0.7119   3.6080   1.1420   1.8190   0.8500 1.789000 1.424000 
1 1 1  -16   26    9 o   3.6130   0.7622   3.2910   1.1530   3.9350   0.9978 -0.6442000 1.524000 
1 1 1  -16   26   10 o   4.5220   0.7119   4.6400   1.0720   4.4050   0.9368 0.2344000 1.424000 
1 1 1  -16   26   11 o   1.9010   0.6309   1.9640   0.9266   1.8380   0.8565 0.1263000 1.262000 
1 1 1  -16   26   12 o   7.1500   0.4562   6.7960   0.7297   7.5040   0.5476 -0.7073000 0.9123000 
1 1 1  -16   26   13 o   2.5040   0.7211   2.1950   0.9895   2.8130   1.0490 -0.6183000 1.442000 
1 1 1  -16   26   14 o   5.1430   0.7654   5.1560   1.1950   5.1300   0.9572 0.2615000E-01 1.531000 
1 1 1  -16   26   15 o   6.5690   0.5976   6.5830   0.9257   6.5550   0.7560 0.2781000E-01 1.195000 
1 1 1  -16   26   16 o   3.6420   0.8350   3.9620   1.2540   3.3220   1.1030 0.6394000 1.670000 
1 1 1  -16   26   17 o   2.2310   0.7294   2.3410   1.0840   2.1220   0.9766 0.2189000 1.459000 
1 1 1  -16   26   18 o   2.3520   0.7510   2.4570   1.1160   2.2470   1.0050 0.2098000 1.502000 
1 1 1  -16   26   19 o   2.4510   1.1850   2.4510   1.1850  ?   ?       ?      ? 
1 1 1  -16   28    1 o   2.7430   0.7685   2.2290   1.0080   3.2560   1.1600 -1.028000 1.537000 
1 1 1  -16   28    2 o   3.9810   0.7891   4.8000   1.0620   3.1620   1.1670 1.639000 1.578000 
1 1 1  -16   28    3 o   2.4390   0.7488   2.4760   1.0670   2.4020   1.0510 0.7346000E-01 1.498000 
1 1 1  -16   28    4 o   6.6720   0.5527   7.0390   0.7437   6.3050   0.8178 0.7341000 1.105000 
1 1 1  -16   28    5 o   6.2650   0.5822   6.5830   0.7832   5.9460   0.8616 0.6363000 1.164000 
1 1 1  -16   28    6 f   2.5270   0.7654   2.6230   1.1080   2.4310   1.0570 0.1924000 1.531000 
1 1 1  -16   28    7 o   3.8830   0.8645   4.3200   1.2820   3.4470   1.1600 0.8731000 1.729000 
1 1 1  -16   28    8 f   3.9210   0.8091   5.1460   1.1780   2.6960   1.1090 2.450000 1.618000 
1 1 1  -16   28    9 o   1.9780   0.6726   2.2510   1.0570   1.7040   0.8318 0.5465000 1.345000 
1 1 1  -16   28   10 o   2.0050   0.6577   1.9670   0.9375   2.0430   0.9228 -0.7632000E-01 1.315000 
1 1 1  -16   28   11 o   4.1450   0.7742   3.1720   1.2890   5.1180   0.8587 -1.946000 1.548000 
1 1 1  -16   28   12 o   4.0770   0.7738   2.9230   1.2350   5.2310   0.9331 -2.308000 1.548000 
1 1 1  -16   28   13 o   4.0190   0.8486   3.5440   1.3210   4.4950   1.0660 -0.9504000 1.697000 
1 1 1  -16   28   14 o   2.5920   0.7544   2.7210   1.1100   2.4630   1.0220 0.2585000 1.509000 
1 1 1  -16   28   15 o   2.0800   1.0360   2.0800   1.0360  ?   ?       ?      ? 
1 1 1  -16   30    1 o   3.9020   0.8248   3.5190   1.2200   4.2860   1.1110 -0.7668000 1.650000 
1 1 1  -16   30    2 o   2.0700   0.6826   2.1710   1.0020   1.9680   0.9270 0.2030000 1.365000 
1 1 1  -16   30    3 o   3.2120   0.7821   4.0360   1.1720   2.3890   1.0360 1.646000 1.564000 
1 1 1  -16   30    4 o   2.4710   0.7465   3.0110   1.1800   1.9320   0.9145 1.079000 1.493000 
1 1 1  -16   30    5 o   2.7590   0.7504   3.1860   1.1180   2.3330   1.0020 0.8534000 1.501000 
1 1 1  -16   30    6 o   1.8800   0.6228   2.0280   0.9281   1.7320   0.8308 0.2963000 1.246000 
1 1 1  -16   30    7 o   3.5510   0.7961   4.0620   1.1570   3.0410   1.0940 1.022000 1.592000 
1 1 1  -16   30    8 o   3.8210   0.7746   3.1240   1.1830   4.5170   0.9998 -1.393000 1.549000 
1 1 1  -15    1    1 o   22.230   0.2296  ?   ?    22.230   0.2296      ?      ? 
1 1 1  -15    1    2 o   90.270   0.7105   89.690   1.2640   90.840   0.6488 -1.153000 1.421000 
1 1 1  -15    1    3 o   54.850   0.3876   55.070   0.5502   54.630   0.5460 0.4421000 0.7751000 
1 1 1  -15    1    4 o   30.880   0.1818   31.020   0.2582   30.730   0.2560 0.2897000 0.3636000 
1 1 1  -15    1    5 o   24.700   0.1298   24.900   0.1849   24.510   0.1821 0.3913000 0.2595000 
1 1 1  -15    1    6 o   10.060   0.1251   10.570   0.1519   9.5490   0.1987 1.017000 0.2501000 
1 1 1  -15    1    7 o   43.500   0.2549   43.570   0.3609   43.430   0.3601 0.1452000 0.5098000 
1 1 1  -15    1    8 o   34.990   0.1818   34.730   0.2554   35.240   0.2588 -0.5105000 0.3636000 
1 1 1  -15    1    9 o   27.910   0.1523   27.890   0.2152   27.940   0.2155 -0.5254000E-01 0.3045000 
1 1 1  -15    1   10 o   32.580   0.1745   32.300   0.2449   32.860   0.2485 -0.5615000 0.3489000 
1 1 1  -15    1   11 o   51.920   0.3061   52.070   0.4342   51.770   0.4316 0.2986000 0.6122000 
1 1 1  -15    1   12 o   2.3200   0.5560   2.3010   0.7913   2.3400   0.7812 -0.3910000E-01 1.112000 
1 1 1  -15    1   13 o   17.160   0.1601   16.650   0.2263   17.680   0.2266 -1.030000 0.3203000 
1 1 1  -15    1   14 o   15.440   0.1467   15.230   0.2079   15.650   0.2070 -0.4159000 0.2934000 
1 1 1  -15    1   15 o   30.770   0.1786   30.910   0.2537   30.620   0.2515 0.2906000 0.3573000 
1 1 1  -15    1   16 o   35.540   0.2001   35.350   0.2823   35.740   0.2837 -0.3850000 0.4003000 
1 1 1  -15    1   17 o   50.680   0.2663   50.680   0.3767   50.680   0.3765 -0.2804000E-02 0.5326000 
1 1 1  -15    1   18 o   43.080   0.2344   42.880   0.3305   43.270   0.3326 -0.3893000 0.4689000 
1 1 1  -15    1   19 o   38.000   0.2169   37.970   0.3068   38.030   0.3067 -0.6285000E-01 0.4339000 
1 1 1  -15    1   20 o   12.610   0.3200   12.480   0.4519   12.740   0.4533 -0.2607000 0.6401000 
1 1 1  -15    1   21 o   28.420   0.1896   28.050   0.2669   28.790   0.2694 -0.7425000 0.3792000 
1 1 1  -15    1   22 o   11.990   0.2338   11.970   0.3287   12.000   0.3327 -0.3140000E-01 0.4677000 
1 1 1  -15    1   23 o   18.730   0.1892   18.820   0.2699   18.640   0.2653 0.1739000 0.3785000 
1 1 1  -15    1   24 o   16.790   0.3340   17.290   0.3951   16.300   0.5385 0.9943000 0.6679000 
1 1 1  -15    1   25 o   8.1260   0.3421   7.9890   0.4622   8.2630   0.5044 -0.2743000 0.6841000 
1 1 1  -15    1   26 o   5.8970   0.4793   6.2040   0.5952   5.5910   0.7513 0.6131000 0.9585000 
1 1 1  -15    1   27 o   12.000   0.2803   11.970   0.4007   12.030   0.3921 -0.6829000E-01 0.5607000 
1 1 1  -15    1   28 f   16.030   0.2710   16.590   0.4108   15.480   0.3537 1.112000 0.5421000 
1 1 1  -15    1   29 o   4.7130   0.7878   5.6820   0.7696   3.7430   1.3750 1.939000 1.576000 
1 1 1  -15    1   30 o   15.360   0.3358   15.120   0.3201   15.600   0.5905 -0.4815000 0.6717000 
1 1 1  -15    1   31 o   3.4720   0.7443   3.8950   1.0030   3.0480   1.1000 0.8466000 1.489000 
1 1 1  -15    1   32 o   4.3640   0.8533   4.6020   1.1810   4.1260   1.2320 0.4756000 1.707000 
1 1 1  -15    1   33 o   7.4150   0.4501   7.6700   0.6116   7.1590   0.6605 0.5114000 0.9002000 
1 1 1  -15    1   34 o   2.7570   0.8058   2.8430   1.1890   2.6720   1.0880 0.1713000 1.612000 
1 1 1  -15    3    1 o   15.120   0.1600  ?   ?    15.120   0.1600      ?      ? 
1 1 1  -15    3    2 o   59.990   0.3462   59.760   0.4877   60.220   0.4916 -0.4556000 0.6925000 
1 1 1  -15    3    3 o   51.830   0.3359   51.700   0.5195   51.970   0.4258 -0.2750000 0.6717000 
1 1 1  -15    3    4 o   23.880   0.2633  ?   ?    23.880   0.2633      ?      ? 
1 1 1  -15    3    5 o   35.030   0.2344   34.560   0.2933   35.490   0.3658 -0.9280000 0.4689000 
1 1 1  -15    3    6 o   15.610   0.1550   15.240   0.2206   15.990   0.2178 -0.7536000 0.3100000 
1 1 1  -15    3    7 o   16.900   0.1642   16.050   0.2324   17.760   0.2319 -1.718000 0.3283000 
1 1 1  -15    3    8 o   26.000   0.1690   25.820   0.2377   26.180   0.2402 -0.3626000 0.3379000 
1 1 1  -15    3    9 f   31.080   0.1824   30.840   0.2370   31.320   0.2774 -0.4874000 0.3649000 
1 1 1  -15    3   10 o   7.8000   0.2207   7.7160   0.2922   7.8840   0.3308 -0.1681000 0.4414000 
1 1 1  -15    3   11 o   37.890   0.3495   37.580   0.4008   38.200   0.5727 -0.6191000 0.6990000 
1 1 1  -15    3   12 o   35.070   0.2462   35.070   0.3119   35.070   0.3811 -0.2956000E-02 0.4925000 
1 1 1  -15    3   13 o   24.220   0.1649   24.250   0.2171   24.190   0.2484 0.5270000E-01 0.3299000 
1 1 1  -15    3   14 o   11.650   0.2078   11.890   0.2375   11.400   0.3409 0.4955000 0.4155000 
1 1 1  -15    3   15 o   58.620   0.3259   58.330   0.4244   58.920   0.4946 -0.5852000 0.6518000 
1 1 1  -15    3   16 o   38.760   0.2316   38.670   0.3026   38.860   0.3507 -0.1939000 0.4632000 
1 1 1  -15    3   17 o   29.970   0.1988   29.770   0.2598   30.160   0.3010 -0.3906000 0.3976000 
1 1 1  -15    3   18 o   5.2690   0.4832   4.6700   0.7285   5.8690   0.6349 -1.199000 0.9663000 
1 1 1  -15    3   19 o   28.660   0.2421   28.740   0.3076   28.570   0.3739 0.1680000 0.4842000 
1 1 1  -15    3   20 o   10.780   0.2824   10.730   0.4137   10.840   0.3844 -0.1064000 0.5647000 
1 1 1  -15    3   21 o   16.560   0.2059   16.490   0.2749   16.630   0.3067 -0.1358000 0.4119000 
1 1 1  -15    3   22 o   16.180   0.2121   16.140   0.2817   16.220   0.3172 -0.7726000E-01 0.4242000 
1 1 1  -15    3   23 o   7.5310   0.3672   7.9650   0.4573   7.0960   0.5747 0.8695000 0.7345000 
1 1 1  -15    3   24 o   9.3340   0.4709   9.1440   0.6068   9.5250   0.7203 -0.3807000 0.9419000 
1 1 1  -15    3   25 o   6.0610   0.4740   6.7370   0.5506   5.3850   0.7717 1.353000 0.9480000 
1 1 1  -15    3   26 o   12.090   0.3019   12.280   0.4572   11.890   0.3942 0.3984000 0.6037000 
1 1 1  -15    3   27 o   5.2690   0.6400   5.3210   0.9797   5.2170   0.8239 0.1033000 1.280000 
1 1 1  -15    3   28 o   9.9950   0.3059   10.120   0.4010   9.8700   0.4621 0.2503000 0.6118000 
1 1 1  -15    3   29 o   5.2230   0.5581   5.3230   0.7275   5.1230   0.8465 0.2000000 1.116000 
1 1 1  -15    3   30 o   8.5380   0.4261   8.5270   0.4824   8.5480   0.7025 -0.2128000E-01 0.8522000 
1 1 1  -15    3   31 o   3.7680   0.8567   4.1840   1.0360   3.3510   1.3650 0.8338000 1.713000 
1 1 1  -15    3   32 o   9.0090   0.4173   8.5750   0.5780   9.4420   0.6021 -0.8669000 0.8346000 
1 1 1  -15    3   33 o   5.9310   0.5424   5.2520   0.8181   6.6110   0.7123 -1.359000 1.085000 
1 1 1  -15    3   34 o   3.0000   0.7644   2.5460   1.0340   3.4540   1.1260 -0.9073000 1.529000 
1 1 1  -15    5    1 o   35.720   0.2181   35.410   0.3055   36.030   0.3115 -0.6165000 0.4363000 
1 1 1  -15    5    2 o   48.150   0.2839   48.130   0.4012   48.170   0.4017 -0.3735000E-01 0.5677000 
1 1 1  -15    5    3 o   21.750   0.1527   21.750   0.2155   21.750   0.2164 0.4541000E-02 0.3054000 
1 1 1  -15    5    4 o   47.380   0.3136   47.350   0.4860   47.410   0.3963 -0.6633000E-01 0.6271000 
1 1 1  -15    5    5 o   51.130   0.3358   50.310   0.5143   51.950   0.4320 -1.638000 0.6717000 
1 1 1  -15    5    6 o   8.6780   0.1820   8.2500   0.2622   9.1060   0.2526 -0.8562000 0.3640000 
1 1 1  -15    5    7 o   3.7100   0.4070   3.6700   0.5665   3.7490   0.5845 -0.7877000E-01 0.8140000 
1 1 1  -15    5    8 o   15.660   0.1848   15.750   0.2677   15.570   0.2550 0.1781000 0.3697000 
1 1 1  -15    5    9 o   10.600   0.2227   11.500   0.3163   9.6910   0.3137 1.811000 0.4455000 
1 1 1  -15    5   10 o   23.830   0.1722   23.780   0.2432   23.880   0.2438 -0.9920000E-01 0.3444000 
1 1 1  -15    5   11 o   9.8650   0.2241   10.020   0.2882   9.7140   0.3433 0.3027000 0.4482000 
1 1 1  -15    5   12 o   40.460   0.2501   40.410   0.3541   40.510   0.3533 -0.1027000 0.5003000 
1 1 1  -15    5   13 o   6.0480   0.3387   5.6770   0.5171   6.4200   0.4377 -0.7436000 0.6775000 
1 1 1  -15    5   14 o   38.660   0.2452   38.570   0.3473   38.750   0.3463 -0.1857000 0.4904000 
1 1 1  -15    5   15 f   28.680   0.2077   29.150   0.2976   28.210   0.2899 0.9392000 0.4154000 
1 1 1  -15    5   16 o   20.460   0.1806   20.820   0.2379   20.090   0.2718 0.7313000 0.3612000 
1 1 1  -15    5   17 o   19.680   0.2003   19.000   0.2904   20.370   0.2760 -1.372000 0.4007000 
1 1 1  -15    5   18 o   14.390   0.2606   14.560   0.3344   14.230   0.3998 0.3301000 0.5213000 
1 1 1  -15    5   19 o   31.220   0.2275   31.090   0.3222   31.350   0.3212 -0.2555000 0.4550000 
1 1 1  -15    5   20 o   32.310   0.2304   32.540   0.3277   32.070   0.3238 0.4765000 0.4607000 
1 1 1  -15    5   21 o   40.570   0.2485   40.660   0.3274   40.470   0.3739 0.1923000 0.4969000 
1 1 1  -15    5   22 o   25.780   0.2018   25.960   0.2687   25.590   0.3012 0.3652000 0.4037000 
1 1 1  -15    5   23 f   16.160   0.2528   16.170   0.3395   16.140   0.3747 0.3584000E-01 0.5056000 
1 1 1  -15    5   24 f   8.8080   0.4184   8.4670   0.6210   9.1490   0.5610 -0.6819000 0.8369000 
1 1 1  -15    5   25 o   15.230   0.2651   14.870   0.4103   15.600   0.3359 -0.7310000 0.5302000 
1 1 1  -15    5   26 o   11.170   0.2933   11.080   0.4237   11.250   0.4056 -0.1673000 0.5865000 
1 1 1  -15    5   27 o   18.280   0.2165   17.980   0.2901   18.580   0.3214 -0.5969000 0.4330000 
1 1 1  -15    5   28 o   3.2370   0.6952   3.9560   0.9401   2.5180   1.0240 1.438000 1.390000 
1 1 1  -15    5   29 o   7.9270   0.3925   8.3490   0.4821   7.5050   0.6195 0.8440000 0.7850000 
1 1 1  -15    5   30 f   8.3680   0.3709   8.0230   0.5137   8.7140   0.5350 -0.6917000 0.7417000 
1 1 1  -15    5   31 f   2.2670   0.7272   2.1650   0.9757   2.3700   1.0780 -0.2053000 1.454000 
1 1 1  -15    5   32 o   2.7820   0.7712   3.2720   1.0790   2.2920   1.1020 0.9793000 1.542000 
1 1 1  -15    5   33 o   3.9070   0.8066   3.3690   1.0920   4.4450   1.1880 -1.076000 1.613000 
1 1 1  -15    5   34 o   3.0840   1.4140   3.0840   1.4140  ?   ?       ?      ? 
1 1 1  -15    7    1 o   33.370   0.2090   33.410   0.2962   33.330   0.2949 0.7981000E-01 0.4179000 
1 1 1  -15    7    2 f   46.000   0.2744   45.980   0.3882   46.020   0.3880 -0.4058000E-01 0.5489000 
1 1 1  -15    7    3 f   30.070   0.1931   30.050   0.2730   30.090   0.2731 -0.3770000E-01 0.3862000 
1 1 1  -15    7    4 o   21.430   0.1964   20.260   0.2721   22.610   0.2832 -2.343000 0.3927000 
1 1 1  -15    7    5 o   21.690   0.1812   21.610   0.2815   21.770   0.2282 -0.1667000 0.3624000 
1 1 1  -15    7    6 o   15.850   0.1963   15.910   0.2808   15.790   0.2745 0.1179000 0.3926000 
1 1 1  -15    7    7 o   25.710   0.1814   25.410   0.2551   26.010   0.2579 -0.5976000 0.3627000 
1 1 1  -15    7    8 f   24.590   0.1792   24.150   0.2494   25.020   0.2575 -0.8731000 0.3585000 
1 1 1  -15    7    9 o   11.910   0.2064   12.170   0.2626   11.660   0.3186 0.5104000 0.4129000 
1 1 1  -15    7   10 o   19.940   0.1904   20.190   0.2472   19.680   0.2898 0.5162000 0.3809000 
1 1 1  -15    7   11 o   38.780   0.2442   38.760   0.3465   38.800   0.3443 -0.3717000E-01 0.4885000 
1 1 1  -15    7   12 o   32.380   0.2176   32.380   0.3101   32.390   0.3053 -0.1273000E-01 0.4352000 
1 1 1  -15    7   13 o   56.620   0.3396   57.130   0.4851   56.100   0.4754 1.026000 0.6793000 
1 1 1  -15    7   14 o   18.470   0.2165   18.540   0.2804   18.400   0.3298 0.1405000 0.4329000 
1 1 1  -15    7   15 o   49.600   0.3046   49.680   0.4322   49.520   0.4292 0.1578000 0.6091000 
1 1 1  -15    7   16 o   27.210   0.2095   26.880   0.2991   27.540   0.2933 -0.6617000 0.4189000 
1 1 1  -15    7   17 o   12.030   0.3333   12.360   0.4774   11.700   0.4653 0.6622000 0.6666000 
1 1 1  -15    7   18 o   18.950   0.2192   19.260   0.3157   18.640   0.3041 0.6203000 0.4383000 
1 1 1  -15    7   19 o   40.240   0.2957   40.310   0.4593   40.180   0.3725 0.1307000 0.5914000 
1 1 1  -15    7   20 o   26.760   0.2038   26.740   0.2685   26.790   0.3066 -0.4684000E-01 0.4076000 
1 1 1  -15    7   21 o   25.800   0.2023   25.710   0.2675   25.890   0.3035 -0.1771000 0.4046000 
1 1 1  -15    7   22 o   16.960   0.2834   16.210   0.4323   17.700   0.3668 -1.497000 0.5669000 
1 1 1  -15    7   23 o   24.320   0.2443   24.670   0.3785   23.980   0.3090 0.6870000 0.4886000 
1 1 1  -15    7   24 o   4.5730   0.7510   4.8920   1.0180   4.2540   1.1040 0.6377000 1.502000 
1 1 1  -15    7   25 f   15.620   0.2272   15.520   0.3043   15.720   0.3375 -0.1985000 0.4544000 
1 1 1  -15    7   26 o   4.7080   0.5974   4.4690   0.8617   4.9480   0.8278 -0.4789000 1.195000 
1 1 1  -15    7   27 o   20.070   0.2141   19.860   0.2873   20.280   0.3176 -0.4185000 0.4283000 
1 1 1  -15    7   28 o   3.5650   0.7076   4.0440   0.9348   3.0860   1.0620 0.9585000 1.415000 
1 1 1  -15    7   29 o   5.3470   0.5558   5.0540   0.7910   5.6410   0.7809 -0.5870000 1.112000 
1 1 1  -15    7   30 o   6.5170   0.5692   6.5570   0.7133   6.4760   0.8872 0.8097000E-01 1.138000 
1 1 1  -15    7   31 o   2.6680   0.7577   2.9750   1.1270   2.3610   1.0130 0.6132000 1.515000 
1 1 1  -15    7   32 o   8.0730   0.4069   7.9790   0.5543   8.1670   0.5959 -0.1879000 0.8138000 
1 1 1  -15    7   33 o   2.9020   0.8476   2.7840   1.0560   3.0210   1.3260 -0.2369000 1.695000 
1 1 1  -15    9    1 o   31.750   0.2101   31.620   0.2961   31.870   0.2982 -0.2450000 0.4202000 
1 1 1  -15    9    2 o   17.330   0.1601   17.190   0.2053   17.460   0.2458 -0.2682000 0.3203000 
1 1 1  -15    9    3 o   31.870   0.1813   31.870   0.2563   31.870   0.2565 -0.2441000E-02 0.3627000 
1 1 1  -15    9    4 o   9.0210   0.1978   9.1930   0.2744   8.8500   0.2850 0.3431000 0.3957000 
1 1 1  -15    9    5 o   15.590   0.1736   15.470   0.2461   15.700   0.2450 -0.2260000 0.3473000 
1 1 1  -15    9    6 o   34.200   0.2222   33.910   0.3127   34.480   0.3158 -0.5661000 0.4445000 
1 1 1  -15    9    7 o   32.760   0.2162   32.980   0.3085   32.540   0.3031 0.4338000 0.4324000 
1 1 1  -15    9    8 o   29.190   0.2030   29.260   0.2874   29.120   0.2868 0.1344000 0.4060000 
1 1 1  -15    9    9 o   9.0190   0.2592   9.1670   0.3520   8.8720   0.3806 0.2951000 0.5184000 
1 1 1  -15    9   10 o   29.740   0.2336   29.190   0.3555   30.290   0.3031 -1.106000 0.4671000 
1 1 1  -15    9   11 o   23.000   0.2119   23.350   0.3267   22.650   0.2698 0.7009000 0.4237000 
1 1 1  -15    9   12 o   22.290   0.1958   22.360   0.2777   22.210   0.2762 0.1489000 0.3917000 
1 1 1  -15    9   13 o   15.020   0.2377   14.500   0.3692   15.540   0.2995 -1.037000 0.4754000 
1 1 1  -15    9   14 o   12.840   0.2416   12.720   0.3472   12.960   0.3359 -0.2404000 0.4831000 
1 1 1  -15    9   15 o   38.120   0.3118   38.060   0.4453   38.180   0.4364 -0.1221000 0.6235000 
1 1 1  -15    9   16 o   44.580   0.3507   44.710   0.5003   44.450   0.4916 0.2601000 0.7014000 
1 1 1  -15    9   17 o   17.450   0.2328   17.140   0.3374   17.770   0.3209 -0.6211000 0.4656000 
1 1 1  -15    9   18 o   30.300   0.2553   30.450   0.3986   30.140   0.3192 0.3072000 0.5106000 
1 1 1  -15    9   19 o   27.020   0.2213   27.170   0.3172   26.880   0.3088 0.2865000 0.4426000 
1 1 1  -15    9   20 o   9.8130   0.3204   9.8190   0.4649   9.8070   0.4410 0.1256000E-01 0.6408000 
1 1 1  -15    9   21 o   26.420   0.3342   26.670   0.5535   26.170   0.3746 0.5024000 0.6684000 
1 1 1  -15    9   22 o   12.960   0.2902   12.660   0.4588   13.270   0.3553 -0.6098000 0.5803000 
1 1 1  -15    9   23 o   8.1080   0.4099   7.7910   0.5517   8.4260   0.6064 -0.6351000 0.8198000 
1 1 1  -15    9   24 o   26.450   0.2117   26.650   0.2808   26.240   0.3169 0.4080000 0.4234000 
1 1 1  -15    9   25 o   11.750   0.2624   11.490   0.3644   12.010   0.3777 -0.5208000 0.5249000 
1 1 1  -15    9   26 o   7.5580   0.3764   8.0160   0.4823   7.0990   0.5782 0.9178000 0.7529000 
1 1 1  -15    9   27 o   8.9920   0.3309   8.9370   0.4477   9.0460   0.4875 -0.1089000 0.6619000 
1 1 1  -15    9   28 o   11.540   0.2796   11.340   0.3807   11.730   0.4097 -0.3854000 0.5593000 
1 1 1  -15    9   29 o   2.4760   0.7601   2.5290   1.0610   2.4220   1.0890 0.1075000 1.520000 
1 1 1  -15    9   30 o   3.0840   0.7509   3.3640   1.0480   2.8030   1.0750 0.5607000 1.502000 
1 1 1  -15    9   31 o   3.3370   0.7744   3.9000   1.1130   2.7750   1.0770 1.125000 1.549000 
1 1 1  -15    9   32 o   9.3560   0.3523   9.3850   0.4776   9.3260   0.5182 0.5846000E-01 0.7047000 
1 1 1  -15    9   33 o   2.2740   1.1160   2.2740   1.1160  ?   ?       ?      ? 
1 1 1  -15   11    1 o   32.660   0.1907   32.890   0.2707   32.440   0.2688 0.4559000 0.3815000 
1 1 1  -15   11    2 o   25.110   0.1674   25.190   0.2368   25.030   0.2366 0.1640000 0.3347000 
1 1 1  -15   11    3 o   13.400   0.1905   13.690   0.2868   13.110   0.2507 0.5736000 0.3809000 
1 1 1  -15   11    4 o   25.270   0.1676   25.130   0.2366   25.420   0.2375 -0.2879000 0.3352000 
1 1 1  -15   11    5 o   30.980   0.1848   30.910   0.2599   31.050   0.2627 -0.1438000 0.3695000 
1 1 1  -15   11    6 o   6.0050   0.3642   6.0140   0.5485   5.9950   0.4792 0.1843000E-01 0.7284000 
1 1 1  -15   11    7 o   39.190   0.2356   39.330   0.3578   39.050   0.3067 0.2886000 0.4713000 
1 1 1  -15   11    8 o   28.800   0.1964   28.930   0.2984   28.670   0.2554 0.2593000 0.3928000 
1 1 1  -15   11    9 o   37.120   0.2441   37.100   0.3452   37.130   0.3454 -0.3330000E-01 0.4883000 
1 1 1  -15   11   10 o   18.990   0.2019   18.920   0.2856   19.050   0.2853 -0.1387000 0.4037000 
1 1 1  -15   11   11 o   27.940   0.2626   28.630   0.3764   27.250   0.3661 1.382000 0.5251000 
1 1 1  -15   11   12 o   30.190   0.2242   30.080   0.3147   30.300   0.3194 -0.2183000 0.4484000 
1 1 1  -15   11   13 o   11.140   0.3424   10.970   0.4946   11.310   0.4738 -0.3369000 0.6849000 
1 1 1  -15   11   14 o   17.660   0.2763   17.990   0.3965   17.340   0.3849 0.6525000 0.5526000 
1 1 1  -15   11   15 o   21.700   0.2216   21.520   0.3190   21.880   0.3077 -0.3582000 0.4432000 
1 1 1  -15   11   16 o   26.560   0.2471   26.500   0.3828   26.620   0.3125 -0.1167000 0.4941000 
1 1 1  -15   11   17 o   34.810   0.2742   34.940   0.4264   34.670   0.3448 0.2661000 0.5483000 
1 1 1  -15   11   18 o   24.030   0.2214   24.420   0.3187   23.630   0.3074 0.7945000 0.4428000 
1 1 1  -15   11   19 o   10.430   0.3528   9.6960   0.5762   11.170   0.4074 -1.477000 0.7057000 
1 1 1  -15   11   20 o   11.920   0.4394   11.480   0.7527   12.360   0.4538 -0.8752000 0.8789000 
1 1 1  -15   11   21 o   24.600   0.2277   24.770   0.3313   24.430   0.3125 0.3380000 0.4555000 
1 1 1  -15   11   22 o   10.570   0.3394   10.540   0.4566   10.610   0.5021 -0.7510000E-01 0.6787000 
1 1 1  -15   11   23 o   19.830   0.2269   19.770   0.3290   19.880   0.3126 -0.1130000 0.4539000 
1 1 1  -15   11   24 o   11.120   0.2998   11.090   0.4353   11.150   0.4123 -0.5968000E-01 0.5996000 
1 1 1  -15   11   25 o   7.1380   0.4226   7.6400   0.5830   6.6360   0.6118 1.003000 0.8451000 
1 1 1  -15   11   26 o   6.0970   0.4913   5.8650   0.7378   6.3290   0.6489 -0.4637000 0.9826000 
1 1 1  -15   11   27 o   5.8470   0.5214   5.9650   0.7482   5.7300   0.7264 0.2349000 1.043000 
1 1 1  -15   11   28 o   7.5390   0.5420   8.4330   0.5758   6.6460   0.9185 1.787000 1.084000 
1 1 1  -15   11   29 o   8.5080   0.3698   8.2130   0.5089   8.8020   0.5366 -0.5885000 0.7396000 
1 1 1  -15   11   30 o   2.6940   0.7561   2.8910   1.1040   2.4970   1.0330 0.3942000 1.512000 
1 1 1  -15   11   31 o   5.5890   0.5635   5.9200   0.7080   5.2570   0.8769 0.6623000 1.127000 
1 1 1  -15   11   32 o   6.4690   0.5072   6.6020   0.6696   6.3370   0.7621 0.2644000 1.014000 
1 1 1  -15   13    1 o   30.130   0.1885   29.840   0.2643   30.430   0.2688 -0.5872000 0.3770000 
1 1 1  -15   13    2 o   27.600   0.1957   27.620   0.2551   27.580   0.2968 0.4284000E-01 0.3914000 
1 1 1  -15   13    3 o   45.760   0.2481   45.780   0.3507   45.740   0.3510 0.3725000E-01 0.4961000 
1 1 1  -15   13    4 o   30.970   0.1915   30.860   0.2701   31.070   0.2716 -0.2125000 0.3831000 
1 1 1  -15   13    5 o   38.920   0.2200   38.810   0.3101   39.020   0.3122 -0.2082000 0.4400000 
1 1 1  -15   13    6 o   18.430   0.2195   19.300   0.3578   17.560   0.2543 1.738000 0.4389000 
1 1 1  -15   13    7 f   35.030   0.2235   35.040   0.3373   35.020   0.2932 0.2235000E-01 0.4469000 
1 1 1  -15   13    8 o   33.180   0.2186   33.350   0.3317   33.010   0.2848 0.3415000 0.4372000 
1 1 1  -15   13    9 o   15.680   0.2101   15.520   0.3209   15.840   0.2714 -0.3240000 0.4202000 
1 1 1  -15   13   10 o   33.560   0.2910   34.160   0.4161   32.950   0.4069 1.217000 0.5820000 
1 1 1  -15   13   11 o   23.370   0.2649   23.900   0.3749   22.840   0.3743 1.060000 0.5298000 
1 1 1  -15   13   12 o   36.480   0.2538   36.680   0.3608   36.270   0.3570 0.4127000 0.5076000 
1 1 1  -15   13   13 o   10.290   0.3367   10.170   0.4732   10.410   0.4791 -0.2483000 0.6733000 
1 1 1  -15   13   14 o   18.440   0.2559   18.580   0.3924   18.300   0.3285 0.2765000 0.5117000 
1 1 1  -15   13   15 o   31.450   0.2637   31.900   0.4102   31.010   0.3315 0.8944000 0.5274000 
1 1 1  -15   13   16 o   8.1960   0.3838   8.4570   0.5420   7.9350   0.5435 0.5214000 0.7675000 
1 1 1  -15   13   17 o   22.970   0.2473   22.600   0.3830   23.340   0.3130 -0.7465000 0.4946000 
1 1 1  -15   13   18 f   27.480   0.3412   27.770   0.5620   27.190   0.3869 0.5858000 0.6823000 
1 1 1  -15   13   19 o   13.540   0.2683   13.720   0.3848   13.360   0.3739 0.3629000 0.5365000 
1 1 1  -15   13   20 o   19.190   0.2516   19.410   0.3246   18.960   0.3845 0.4451000 0.5032000 
1 1 1  -15   13   21 o   8.6650   0.4059   8.7560   0.5240   8.5750   0.6199 0.1803000 0.8117000 
1 1 1  -15   13   22 o   18.460   0.2336   18.750   0.3327   18.180   0.3281 0.5686000 0.4673000 
1 1 1  -15   13   23 o   9.0380   0.3638   9.8080   0.4861   8.2690   0.5415 1.539000 0.7277000 
1 1 1  -15   13   24 o   9.0470   0.3619   8.7840   0.5439   9.3110   0.4776 -0.5267000 0.7238000 
1 1 1  -15   13   25 o   7.7700   0.4178   8.2330   0.5884   7.3070   0.5932 0.9254000 0.8356000 
1 1 1  -15   13   26 o   7.0860   0.4542   7.5730   0.6303   6.5990   0.6541 0.9735000 0.9084000 
1 1 1  -15   13   27 o   5.8210   0.7120   6.6510   0.8813   4.9900   1.1180 1.661000 1.424000 
1 1 1  -15   13   28 o   5.1400   0.6500   5.0980   0.9632   5.1820   0.8731 -0.8345000E-01 1.300000 
1 1 1  -15   13   29 o   2.1180   0.6858   1.9460   0.9340   2.2910   1.0050 -0.3456000 1.372000 
1 1 1  -15   13   30 o   4.0840   0.7350   2.9500   1.1390   5.2190   0.9297 -2.269000 1.470000 
1 1 1  -15   13   31 o   2.0560   0.6742   1.8470   0.8960   2.2650   1.0080 -0.4180000 1.348000 
1 1 1  -15   15    1 o   18.280   0.2143   18.160   0.2990   18.410   0.3071 -0.2479000 0.4286000 
1 1 1  -15   15    2 o   18.800   0.2122   18.600   0.2963   19.000   0.3039 -0.3971000 0.4244000 
1 1 1  -15   15    3 o   11.710   0.2681   11.580   0.3704   11.830   0.3877 -0.2550000 0.5362000 
1 1 1  -15   15    4 o   35.510   0.2445   35.810   0.3465   35.210   0.3452 0.5928000 0.4891000 
1 1 1  -15   15    5 o   24.470   0.2130   24.870   0.2999   24.060   0.3026 0.8146000 0.4261000 
1 1 1  -15   15    6 o   23.170   0.2402   22.920   0.3705   23.410   0.3057 -0.4892000 0.4803000 
1 1 1  -15   15    7 o   21.430   0.2049   21.310   0.3113   21.550   0.2665 -0.2435000 0.4098000 
1 1 1  -15   15    8 f   37.980   0.2426   38.150   0.3689   37.810   0.3152 0.3371000 0.4852000 
1 1 1  -15   15    9 o   15.560   0.2611   15.020   0.4301   16.090   0.2962 -1.075000 0.5222000 
1 1 1  -15   15   10 o   6.2530   0.4758   6.7010   0.6647   5.8040   0.6809 0.8978000 0.9516000 
1 1 1  -15   15   11 o   17.560   0.2561   17.630   0.3906   17.500   0.3312 0.1244000 0.5121000 
1 1 1  -15   15   12 o   16.770   0.2637   16.780   0.4035   16.750   0.3394 0.2990000E-01 0.5273000 
1 1 1  -15   15   13 o   13.640   0.2676   13.380   0.3866   13.900   0.3702 -0.5251000 0.5353000 
1 1 1  -15   15   14 o   22.200   0.2294   21.570   0.3228   22.830   0.3261 -1.256000 0.4589000 
1 1 1  -15   15   15 o   11.030   0.4571   11.310   0.7350   10.760   0.5437 0.5467000 0.9142000 
1 1 1  -15   15   16 o   20.460   0.3422   19.930   0.5611   20.990   0.3920 -1.057000 0.6844000 
1 1 1  -15   15   17 o   5.9490   0.5445   5.8670   0.7873   6.0310   0.7525 -0.1645000 1.089000 
1 1 1  -15   15   18 o   9.4720   0.3464   9.3600   0.4943   9.5840   0.4854 -0.2240000 0.6928000 
1 1 1  -15   15   19 o   9.7250   0.3690   9.3220   0.5028   10.130   0.5402 -0.8044000 0.7380000 
1 1 1  -15   15   20 o   16.860   0.2462   16.640   0.3498   17.090   0.3464 -0.4546000 0.4923000 
1 1 1  -15   15   21 o   2.9780   0.7549   3.3450   1.0930   2.6110   1.0410 0.7345000 1.510000 
1 1 1  -15   15   22 o   4.4440   0.6980   4.0210   1.0630   4.8670   0.9044 -0.8463000 1.396000 
1 1 1  -15   15   23 o   7.3140   0.4353   7.4310   0.6230   7.1960   0.6081 0.2347000 0.8706000 
1 1 1  -15   15   24 o   13.350   0.2814   13.060   0.4141   13.630   0.3809 -0.5755000 0.5627000 
1 1 1  -15   15   25 o   6.0210   0.6834   5.9040   0.9697   6.1370   0.9631 -0.2335000 1.367000 
1 1 1  -15   15   26 o   7.6600   0.5459   7.7510   0.7518   7.5680   0.7916 0.1831000 1.092000 
1 1 1  -15   15   27 o   6.3850   0.5333   5.6410   0.8562   7.1300   0.6360 -1.488000 1.067000 
1 1 1  -15   15   28 o   3.0160   0.8163   3.4050   1.2430   2.6260   1.0580 0.7795000 1.633000 
1 1 1  -15   15   29 o   4.1910   0.7534   3.6580   1.1520   4.7240   0.9711 -1.065000 1.507000 
1 1 1  -15   15   30 o   6.5720   0.7294   5.4610   1.2560   7.6830   0.7417 -2.222000 1.459000 
1 1 1  -15   17    1 o   24.610   0.2290   24.370   0.3214   24.850   0.3263 -0.4725000 0.4580000 
1 1 1  -15   17    2 o   17.820   0.2380   18.180   0.3278   17.460   0.3452 0.7240000 0.4760000 
1 1 1  -15   17    3 o   11.780   0.3030   11.430   0.4335   12.130   0.4235 -0.7059000 0.6060000 
1 1 1  -15   17    4 o   30.380   0.2361   30.440   0.3335   30.320   0.3343 0.1193000 0.4722000 
1 1 1  -15   17    5 o   15.220   0.2559   15.090   0.3623   15.340   0.3615 -0.2435000 0.5118000 
1 1 1  -15   17    6 o   19.090   0.2349   19.610   0.3291   18.570   0.3352 1.040000 0.4698000 
1 1 1  -15   17    7 o   24.200   0.2550   23.610   0.3961   24.790   0.3211 -1.174000 0.5099000 
1 1 1  -15   17    8 o   25.460   0.2556   25.730   0.3980   25.190   0.3208 0.5398000 0.5112000 
1 1 1  -15   17    9 o   36.730   0.2427   36.860   0.3682   36.590   0.3163 0.2692000 0.4854000 
1 1 1  -15   17   10 o   24.920   0.2124   25.040   0.3198   24.800   0.2795 0.2375000 0.4248000 
1 1 1  -15   17   11 o   4.7820   0.7372   5.8770   0.9806   3.6880   1.1010 2.189000 1.474000 
1 1 1  -15   17   12 o   16.130   0.2894   16.040   0.4549   16.220   0.3579 -0.1783000 0.5788000 
1 1 1  -15   17   13 o   4.0670   0.7609   3.6410   1.2160   4.4930   0.9151 -0.8513000 1.522000 
1 1 1  -15   17   14 o   8.8550   0.4092   8.9420   0.6161   8.7680   0.5386 0.1735000 0.8183000 
1 1 1  -15   17   15 o   3.6940   0.7792   4.1690   1.0660   3.2180   1.1370 0.9511000 1.558000 
1 1 1  -15   17   16 o   3.0480   0.8030   3.3540   1.1100   2.7430   1.1610 0.6104000 1.606000 
1 1 1  -15   17   17 o   8.7970   0.4162   8.4410   0.5378   9.1520   0.6354 -0.7111000 0.8324000 
1 1 1  -15   17   18 o   11.750   0.3084   12.030   0.4246   11.470   0.4473 0.5652000 0.6168000 
1 1 1  -15   17   19 o   7.2850   0.4503   7.0540   0.6625   7.5160   0.6101 -0.4624000 0.9007000 
1 1 1  -15   17   20 o   6.9450   0.4536   7.2120   0.6253   6.6770   0.6572 0.5342000 0.9072000 
1 1 1  -15   17   21 f   4.1260   0.7431   3.5250   1.1280   4.7260   0.9678 -1.201000 1.486000 
1 1 1  -15   17   22 o   2.3700   0.7130   2.2500   0.9835   2.4910   1.0320 -0.2412000 1.426000 
1 1 1  -15   17   23 o   12.610   0.2949   12.080   0.4393   13.150   0.3936 -1.072000 0.5898000 
1 1 1  -15   17   24 o   9.7250   0.4591   10.320   0.6157   9.1330   0.6813 1.184000 0.9183000 
1 1 1  -15   17   25 o   1.8220   0.6137   2.1570   0.9794   1.4870   0.7398 0.6703000 1.227000 
1 1 1  -15   17   26 o   8.4870   0.4101   8.7580   0.5815   8.2160   0.5785 0.5419000 0.8202000 
1 1 1  -15   17   27 o   3.6630   0.7897   2.8760   1.2020   4.4500   1.0240 -1.574000 1.579000 
1 1 1  -15   17   28 o   2.8070   0.7852   2.8100   1.1210   2.8050   1.1000 0.5382000E-02 1.570000 
1 1 1  -15   17   29 f   2.1380   1.0700   2.1380   1.0700  ?   ?       ?      ? 
1 1 1  -15   19    1 o   19.540   0.2369   20.060   0.3362   19.020   0.3338 1.044000 0.4737000 
1 1 1  -15   19    2 o   15.010   0.2649   15.240   0.3725   14.780   0.3767 0.4584000 0.5298000 
1 1 1  -15   19    3 o   10.970   0.3262   10.940   0.4663   10.990   0.4563 -0.4446000E-01 0.6524000 
1 1 1  -15   19    4 o   8.0370   0.4258   8.1880   0.5943   7.8870   0.6099 0.3012000 0.8516000 
1 1 1  -15   19    5 o   27.930   0.2353   28.000   0.3326   27.860   0.3328 0.1411000 0.4705000 
1 1 1  -15   19    6 o   8.2940   0.4052   8.4120   0.5603   8.1770   0.5856 0.2350000 0.8104000 
1 1 1  -15   19    7 o   14.300   0.3057   14.290   0.4795   14.300   0.3794 -0.5968000E-02 0.6115000 
1 1 1  -15   19    8 o   14.710   0.2540   14.850   0.3850   14.580   0.3314 0.2653000 0.5080000 
1 1 1  -15   19    9 o   23.980   0.2214   24.010   0.3381   23.950   0.2860 0.6168000E-01 0.4429000 
1 1 1  -15   19   10 o   14.780   0.2805   14.780   0.4522   14.790   0.3319 -0.5689000E-02 0.5610000 
1 1 1  -15   19   11 o   3.3530   0.7146   2.4810   1.0850   4.2250   0.9297 -1.744000 1.429000 
1 1 1  -15   19   12 f   10.790   0.3341   10.670   0.5361   10.910   0.3990 -0.2405000 0.6683000 
1 1 1  -15   19   13 o   16.360   0.2508   16.380   0.3555   16.340   0.3538 0.3892000E-01 0.5016000 
1 1 1  -15   19   14 o   8.0200   0.4075   8.6050   0.5437   7.4340   0.6070 1.170000 0.8149000 
1 1 1  -15   19   15 o   6.6720   0.4811   6.4250   0.6996   6.9200   0.6606 -0.4950000 0.9622000 
1 1 1  -15   19   16 f   5.8480   0.5661   6.1300   0.7448   5.5660   0.8526 0.5633000 1.132000 
1 1 1  -15   19   17 o   4.6130   0.7242   4.1750   1.0790   5.0510   0.9660 -0.8760000 1.448000 
1 1 1  -15   19   18 o   9.3010   0.3775   8.9750   0.5368   9.6280   0.5308 -0.6536000 0.7549000 
1 1 1  -15   19   19 o   8.3820   0.4079   8.1190   0.5938   8.6460   0.5593 -0.5271000 0.8158000 
1 1 1  -15   19   20 o   5.9430   0.5839   5.0810   0.9469   6.8050   0.6833 -1.724000 1.168000 
1 1 1  -15   19   21 o   9.8720   0.4560   10.310   0.5822   9.4310   0.7019 0.8824000 0.9119000 
1 1 1  -15   19   22 o   2.1490   0.7152   1.6410   0.8178   2.6570   1.1730 -1.016000 1.430000 
1 1 1  -15   19   23 o   4.4880   0.7352   4.4060   1.0820   4.5700   0.9953 -0.1647000 1.470000 
1 1 1  -15   19   24 o   4.5120   0.7466   4.3970   1.0960   4.6260   1.0140 -0.2290000 1.493000 
1 1 1  -15   19   25 o   2.5350   0.7506   2.1820   1.0150   2.8880   1.1060 -0.7064000 1.501000 
1 1 1  -15   19   26 o   6.3190   0.5710   6.0380   0.8575   6.6000   0.7543 -0.5621000 1.142000 
1 1 1  -15   19   27 o   2.2330   0.7389   2.3780   1.1070   2.0880   0.9795 0.2902000 1.478000 
1 1 1  -15   21    1 o   20.070   0.2427   19.860   0.3440   20.280   0.3425 -0.4178000 0.4854000 
1 1 1  -15   21    2 o   10.610   0.3406   10.470   0.4836   10.740   0.4798 -0.2692000 0.6812000 
1 1 1  -15   21    3 o   3.0840   0.8010   3.3870   1.1590   2.7820   1.1060 0.6047000 1.602000 
1 1 1  -15   21    4 o   17.790   0.2497   17.770   0.3523   17.820   0.3540 -0.5833000E-01 0.4994000 
1 1 1  -15   21    5 o   8.2490   0.4161   8.2350   0.5897   8.2620   0.5873 -0.2718000E-01 0.8323000 
1 1 1  -15   21    6 o   17.450   0.2550   17.800   0.3573   17.090   0.3638 0.7138000 0.5099000 
1 1 1  -15   21    7 o   4.2690   0.7370   5.1380   0.9442   3.4000   1.1320 1.739000 1.474000 
1 1 1  -15   21    8 o   12.650   0.3257   12.670   0.5030   12.630   0.4138 0.3640000E-01 0.6513000 
1 1 1  -15   21    9 o   2.4090   0.7317   2.0680   0.9822   2.7500   1.0850 -0.6820000 1.463000 
1 1 1  -15   21   10 o   7.3910   0.4517   6.7580   0.7483   8.0230   0.5063 -1.265000 0.9034000 
1 1 1  -15   21   11 o   8.2070   0.3793   8.3470   0.5736   8.0660   0.4963 0.2811000 0.7585000 
1 1 1  -15   21   12 o   11.660   0.2874   11.840   0.4341   11.470   0.3766 0.3703000 0.5748000 
1 1 1  -15   21   13 o   3.1680   0.7452   2.7790   1.0790   3.5580   1.0280 -0.7790000 1.490000 
1 1 1  -15   21   14 o   5.1450   0.6132   6.4600   0.7121   3.8300   0.9984 2.630000 1.226000 
1 1 1  -15   21   15 o   4.1730   0.7039   3.7460   1.1020   4.6000   0.8764 -0.8537000 1.408000 
1 1 1  -15   21   16 o   6.7890   0.4505   6.7790   0.6893   6.7990   0.5803 -0.2055000E-01 0.9011000 
1 1 1  -15   21   17 o   3.7410   0.7815   4.0270   1.0620   3.4550   1.1470 0.5726000 1.563000 
1 1 1  -15   21   18 o   6.6160   0.5374   7.0070   0.7050   6.2240   0.8113 0.7825000 1.075000 
1 1 1  -15   21   19 o   4.0260   0.8983   3.8840   1.2350   4.1680   1.3050 -0.2841000 1.797000 
1 1 1  -15   21   20 o   3.5250   0.7978   3.3160   1.1320   3.7340   1.1240 -0.4174000 1.596000 
1 1 1  -15   21   21 o   4.7940   0.7134   5.7070   0.8507   3.8820   1.1460 1.825000 1.427000 
1 1 1  -15   21   22 o   5.3760   0.6799   5.8330   0.8865   4.9180   1.0310 0.9149000 1.360000 
1 1 1  -15   21   23 o   3.4020   0.8173   4.4300   1.2500   2.3730   1.0540 2.057000 1.635000 
1 1 1  -15   21   24 o   4.6980   0.7807   4.4500   1.1210   4.9460   1.0870 -0.4965000 1.561000 
1 1 1  -15   21   25 o   5.0980   0.8708   5.9460   1.1510   4.2490   1.3070 1.697000 1.742000 
1 1 1  -15   23    1 o   4.7160   0.6342   4.1270   0.9925   5.3050   0.7900 -1.179000 1.268000 
1 1 1  -15   23    2 o   14.050   0.2481   14.030   0.3521   14.070   0.3496 -0.4521000E-01 0.4962000 
1 1 1  -15   23    3 o   3.6340   0.7230   4.1980   0.9855   3.0700   1.0580 1.127000 1.446000 
1 1 1  -15   23    4 o   4.2200   0.6631   3.2550   1.0510   5.1840   0.8087 -1.929000 1.326000 
1 1 1  -15   23    5 o   8.0370   0.3964   8.3740   0.5833   7.7010   0.5371 0.6729000 0.7929000 
1 1 1  -15   23    6 o   7.5530   0.4682   7.7960   0.7547   7.3100   0.5544 0.4864000 0.9364000 
1 1 1  -15   23    7 f   2.2490   0.7102   2.3680   1.0660   2.1290   0.9385 0.2391000 1.420000 
1 1 1  -15   23    8 o   1.9480   0.6371   2.0180   0.9331   1.8770   0.8678 0.1414000 1.274000 
1 1 1  -15   23    9 o   7.1460   0.4460   7.0820   0.7003   7.2110   0.5525 -0.1289000 0.8920000 
1 1 1  -15   23   10 f   10.930   0.3469   11.520   0.5572   10.340   0.4133 1.172000 0.6938000 
1 1 1  -15   23   11 o   8.8210   0.3668   8.9700   0.5577   8.6720   0.4767 0.2981000 0.7337000 
1 1 1  -15   23   12 f   9.5500   0.3427   9.5450   0.5235   9.5540   0.4425 -0.8638000E-02 0.6854000 
1 1 1  -15   23   13 o   3.7820   0.7377   3.6130   1.1050   3.9510   0.9773 -0.3382000 1.475000 
1 1 1  -15   23   14 o   2.5030   0.7215   2.7990   1.0870   2.2060   0.9493 0.5923000 1.443000 
1 1 1  -15   23   15 o   6.3960   0.5910   6.8690   0.8492   5.9230   0.8222 0.9453000 1.182000 
1 1 1  -15   23   16 f   3.6980   0.8429   4.3040   1.2380   3.0920   1.1440 1.212000 1.686000 
1 1 1  -15   23   17 o   11.800   0.3048   11.650   0.4671   11.960   0.3917 -0.3175000 0.6096000 
1 1 1  -15   23   18 o   2.9480   0.7761   3.1180   1.1300   2.7780   1.0640 0.3403000 1.552000 
1 1 1  -15   23   19 o   3.4010   0.8206   3.2750   1.1490   3.5260   1.1720 -0.2502000 1.641000 
1 1 1  -15   23   20 o   9.1250   0.4428   9.5010   0.6474   8.7500   0.6041 0.7510000 0.8855000 
1 1 1  -15   23   21 o   2.6420   0.7923   2.5840   1.1290   2.7010   1.1120 -0.1171000 1.585000 
1 1 1  -15   23   22 o   4.4630   0.8067   6.1190   1.0970   2.8080   1.1830 3.311000 1.613000 
1 1 1  -15   23   23 o   2.3590   0.7556   2.9610   1.2360   1.7560   0.8692 1.204000 1.511000 
1 1 1  -15   25    1 o   3.5000   0.6903   2.4870   1.0180   4.5130   0.9330 -2.026000 1.381000 
1 1 1  -15   25    2 o   9.3230   0.3440   9.7440   0.4676   8.9020   0.5045 0.8424000 0.6879000 
1 1 1  -15   25    3 o   13.170   0.3225   12.940   0.5283   13.390   0.3701 -0.4531000 0.6451000 
1 1 1  -15   25    4 o   5.1560   0.6873   6.0480   0.9660   4.2640   0.9779 1.784000 1.375000 
1 1 1  -15   25    5 o   10.390   0.3082   9.8780   0.4510   10.910   0.4203 -1.030000 0.6164000 
1 1 1  -15   25    6 o   3.4470   0.7150   4.1020   0.9776   2.7930   1.0440 1.309000 1.430000 
1 1 1  -15   25    7 o   3.9800   0.7223   3.4620   1.1260   4.4980   0.9048 -1.036000 1.445000 
1 1 1  -15   25    8 o   3.8120   0.7677   3.0300   1.1330   4.5950   1.0360 -1.565000 1.535000 
1 1 1  -15   25    9 o   2.4410   0.7553   2.6400   1.1330   2.2410   0.9989 0.3991000 1.511000 
1 1 1  -15   25   10 o   7.8930   0.4883   7.9030   0.7477   7.8840   0.6283 0.1921000E-01 0.9766000 
1 1 1  -15   25   11 o   10.280   0.3856   9.9940   0.5955   10.570   0.4899 -0.5778000 0.7711000 
1 1 1  -15   25   12 o   5.7750   0.5599   5.4050   0.9050   6.1460   0.6595 -0.7401000 1.120000 
1 1 1  -15   25   13 o   7.5000   0.4463   7.0140   0.7163   7.9860   0.5326 -0.9721000 0.8926000 
1 1 1  -15   25   14 o   7.3210   0.4490   7.2480   0.6779   7.3950   0.5888 -0.1478000 0.8979000 
1 1 1  -15   25   15 o   7.1510   0.4657   7.1420   0.7073   7.1600   0.6061 -0.1729000E-01 0.9315000 
1 1 1  -15   25   16 f   5.1160   0.7509   4.2110   1.2650   6.0220   0.8094 -1.811000 1.502000 
1 1 1  -15   25   17 o   2.5840   0.7860   2.8160   1.1790   2.3510   1.0400 0.4652000 1.572000 
1 1 1  -15   25   18 o   5.7850   0.5767   5.8140   0.8376   5.7550   0.7929 0.5927000E-01 1.153000 
1 1 1  -15   25   19 f   2.0440   0.6897   2.3380   1.0820   1.7500   0.8549 0.5875000 1.379000 
1 1 1  -15   25   20 o   2.7110   0.8078   2.4250   1.1120   2.9970   1.1720 -0.5727000 1.616000 
1 1 1  -15   27    1 o   5.0820   0.7219   4.8480   1.2080   5.3150   0.7906 -0.4675000 1.444000 
1 1 1  -15   27    2 o   5.2930   0.6243   6.1700   0.8182   4.4150   0.9432 1.756000 1.249000 
1 1 1  -15   27    3 o   8.7710   0.3588   8.3470   0.5347   9.1960   0.4787 -0.8491000 0.7177000 
1 1 1  -15   27    4 o   2.7220   0.7190   3.3100   1.0850   2.1340   0.9432 1.175000 1.438000 
1 1 1  -15   27    5 o   3.2860   0.7604   3.1530   1.0840   3.4180   1.0660 -0.2650000 1.521000 
1 1 1  -15   27    6 o   12.280   0.2747   12.150   0.3956   12.410   0.3812 -0.2664000 0.5494000 
1 1 1  -15   27    7 o   2.9980   0.7625   2.7070   1.0970   3.2880   1.0590 -0.5811000 1.525000 
1 1 1  -15   27    8 o   1.9060   0.6319   1.8820   0.8978   1.9310   0.8896 -0.4957000E-01 1.264000 
1 1 1  -15   27    9 o   1.7930   0.6078   1.8650   0.8952   1.7210   0.8224 0.1437000 1.216000 
1 1 1  -15   27   10 o   2.8280   0.7978   2.3940   1.0970   3.2620   1.1590 -0.8678000 1.596000 
1 1 1  -15   27   11 o   3.3360   0.8611   3.3870   1.2740   3.2850   1.1590 0.1022000 1.722000 
1 1 1  -15   27   12 o   3.8700   0.8354   3.3460   1.2640   4.3950   1.0930 -1.049000 1.671000 
1 1 1  -15   27   13 o   2.3260   0.7291   2.0160   0.9679   2.6350   1.0910 -0.6194000 1.458000 
1 1 1  -15   27   14 o   3.7840   0.7893   3.4460   1.1910   4.1220   1.0360 -0.6764000 1.579000 
1 1 1  -15   27   15 f   2.8780   0.8281   3.3240   1.2810   2.4310   1.0490 0.8934000 1.656000 
1 1 1  -15   27   16 o   5.1880   0.7525   6.1960   1.0120   4.1810   1.1140 2.015000 1.505000 
1 1 1  -15   27   17 o   1.9130   0.6309   1.6530   0.8147   2.1740   0.9634 -0.5211000 1.262000 
1 1 1  -15   29    1 o   2.5990   0.7386   2.2540   0.9929   2.9430   1.0940 -0.6886000 1.477000 
1 1 1  -15   29    2 o   4.4300   0.7056   4.0510   1.0720   4.8090   0.9182 -0.7580000 1.411000 
1 1 1  -15   29    3 o   6.7790   0.4683   6.9490   0.6668   6.6090   0.6576 0.3405000 0.9366000 
1 1 1  -15   29    4 o   3.1570   0.7730   3.4950   1.1150   2.8180   1.0710 0.6770000 1.546000 
1 1 1  -15   29    5 o   8.6040   0.3812   7.9920   0.5795   9.2160   0.4952 -1.224000 0.7623000 
1 1 1  -15   29    6 o   4.3350   0.6840   5.5510   0.8162   3.1200   1.0980 2.431000 1.368000 
1 1 1  -15   29    7 o   6.0600   0.6926   6.2520   1.0680   5.8680   0.8819 0.3834000 1.385000 
1 1 1  -15   29    8 o   4.0210   0.7880   2.9060   1.2310   5.1350   0.9839 -2.229000 1.576000 
1 1 1  -15   29    9 o   2.3600   0.7594   2.8400   1.2260   1.8800   0.8970 0.9600000 1.519000 
1 1 1  -15   29   10 o   2.1110   0.7008   2.1190   1.0150   2.1020   0.9660 0.1632000E-01 1.402000 
1 1 1  -15   29   11 o   3.0120   0.7403   2.3310   1.0350   3.6930   1.0590 -1.361000 1.481000 
1 1 1  -15   29   12 f   2.1260   0.6758   2.5360   1.0720   1.7170   0.8238 0.8190000 1.352000 
1 1 1  -14    0    1 o   51.450   0.5138   51.450   0.5138   51.450   0.5138 -0.000000 0.000000 
1 1 1  -14    0    2 o   54.800   0.5475   54.800   0.5475   54.800   0.5475 -0.000000 0.000000 
1 1 1  -14    0    3 o   30.940   0.2553   30.940   0.2553   30.940   0.2553 -0.000000 0.000000 
1 1 1  -14    0    4 o  109.200   0.7666  109.200   0.7666  109.200   0.7666 -0.000000 0.000000 
1 1 1  -14    0    5 o   17.370   0.1611   17.370   0.1611   17.370   0.1611 -0.000000 0.000000 
1 1 1  -14    0    6 o   37.030   0.3768   37.030   0.3768   37.030   0.3768 -0.000000 0.000000 
1 1 1  -14    0    7 o   25.980   0.2791   25.980   0.2791   25.980   0.2791 -0.000000 0.000000 
1 1 1  -14    0    8 o   19.420   0.1663   19.420   0.1663   19.420   0.1663 -0.000000 0.000000 
1 1 1  -14    0    9 o   27.830   0.2149   27.830   0.2149   27.830   0.2149 -0.000000 0.000000 
1 1 1  -14    0   10 o   39.240   0.2887   39.240   0.2887   39.240   0.2887 -0.000000 0.000000 
1 1 1  -14    0   11 o   13.890   0.2540   13.890   0.2540   13.890   0.2540 -0.000000 0.000000 
1 1 1  -14    0   12 o   35.640   0.3825   35.640   0.3825   35.640   0.3825 -0.000000 0.000000 
1 1 1  -14    0   13 o   6.1790   0.3474   6.1790   0.3474   6.1790   0.3474 -0.000000 0.000000 
1 1 1  -14    0   14 o   48.260   0.3551   48.260   0.3551   48.260   0.3551 -0.000000 0.000000 
1 1 1  -14    0   15 o   9.2060   0.2940   9.2060   0.2940   9.2060   0.2940 -0.000000 0.000000 
1 1 1  -14    0   16 o   43.250   0.3279   43.250   0.3279   43.250   0.3279 -0.000000 0.000000 
1 1 1  -14    0   17 o   50.990   0.3783   50.990   0.3783   50.990   0.3783 -0.000000 0.000000 
1 1 1  -14    0   18 o   18.590   0.2442   18.590   0.2442   18.590   0.2442 -0.000000 0.000000 
1 1 1  -14    0   19 o   46.990   0.3588   46.990   0.3588   46.990   0.3588 -0.000000 0.000000 
1 1 1  -14    0   20 o   7.0620   0.7586   7.0620   0.7586   7.0620   0.7586 -0.000000 0.000000 
1 1 1  -14    0   21 o   40.790   0.3261   40.790   0.3261   40.790   0.3261 -0.000000 0.000000 
1 1 1  -14    0   22 o   2.5110   1.2040   2.5110   1.2040   2.5110   1.2040 -0.000000 0.000000 
1 1 1  -14    0   23 o   16.560   0.2780   16.560   0.2780   16.560   0.2780 -0.000000 0.000000 
1 1 1  -14    0   24 o   2.7430   1.3960   2.7430   1.3960   2.7430   1.3960 -0.000000 0.000000 
1 1 1  -14    0   25 o   17.110   0.2800   17.110   0.2800   17.110   0.2800 -0.000000 0.000000 
1 1 1  -14    0   26 o   7.0690   0.5225   7.0690   0.5225   7.0690   0.5225 -0.000000 0.000000 
1 1 1  -14    0   27 o   1.5380   0.9867   1.5380   0.9867   1.5380   0.9867 -0.000000 0.000000 
1 1 1  -14    0   28 o   4.7710   0.8350   4.7710   0.8350   4.7710   0.8350 -0.000000 0.000000 
1 1 1  -14    0   29 o   11.390   0.3707   11.390   0.3707   11.390   0.3707 -0.000000 0.000000 
1 1 1  -14    0   30 o   9.3250   0.8739   9.3250   0.8739   9.3250   0.8739 -0.000000 0.000000 
1 1 1  -14    0   31 o   1.8390   1.2460   1.8390   1.2460   1.8390   1.2460 -0.000000 0.000000 
1 1 1  -14    0   32 o   6.5700   0.7433   6.5700   0.7433   6.5700   0.7433 -0.000000 0.000000 
1 1 1  -14    0   33 o   1.7390   1.1200   1.7390   1.1200   1.7390   1.1200 -0.000000 0.000000 
1 1 1  -14    0   34 o   2.7170   1.3490   2.7170   1.3490   2.7170   1.3490 -0.000000 0.000000 
1 1 1  -14    2    1 o   27.570   0.1547   27.860   0.2352   27.280   0.2010 0.5774000 0.3093000 
1 1 1  -14    2    2 o   17.490   0.1168   17.670   0.1662   17.320   0.1643 0.3550000 0.2337000 
1 1 1  -14    2    3 o   62.870   0.3837   62.480   0.6243   63.260   0.4464 -0.7822000 0.7674000 
1 1 1  -14    2    4 f   32.920   0.2385   32.850   0.3369   32.990   0.3377 -0.1417000 0.4770000 
1 1 1  -14    2    6 o   51.900   0.3016   51.840   0.4260   51.950   0.4270 -0.1096000 0.6032000 
1 1 1  -14    2    7 o   26.490   0.1661   26.460   0.2342   26.520   0.2356 -0.6104000E-01 0.3323000 
1 1 1  -14    2    8 o   18.110   0.1442   18.060   0.1664   18.160   0.2355 -0.1024000 0.2883000 
1 1 1  -14    2    9 o   36.150   0.2192   36.370   0.3113   35.930   0.3086 0.4423000 0.4383000 
1 1 1  -14    2   10 o   17.630   0.1431   17.460   0.2003   17.800   0.2043 -0.3379000 0.2861000 
1 1 1  -14    2   11 o   18.660   0.2286   18.520   0.2646   18.790   0.3729 -0.2775000 0.4572000 
1 1 1  -14    2   12 o   36.350   0.2527   36.290   0.3191   36.400   0.3918 -0.1140000 0.5053000 
1 1 1  -14    2   13 o   14.270   0.1664   14.310   0.2367   14.220   0.2340 0.8978000E-01 0.3328000 
1 1 1  -14    2   14 o   23.560   0.1659   23.470   0.2165   23.640   0.2514 -0.1706000 0.3318000 
1 1 1  -14    2   15 o   29.200   0.1886   29.100   0.2465   29.310   0.2855 -0.2148000 0.3772000 
1 1 1  -14    2   16 o   63.350   0.3509   63.240   0.4587   63.460   0.5312 -0.2225000 0.7018000 
1 1 1  -14    2   17 o   28.090   0.1928   27.720   0.2514   28.460   0.2924 -0.7383000 0.3856000 
1 1 1  -14    2   18 o   48.490   0.2792   48.270   0.3637   48.720   0.4237 -0.4496000 0.5584000 
1 1 1  -14    2   19 o   31.970   0.2549   31.970   0.3236   31.980   0.3939 -0.4278000E-02 0.5098000 
1 1 1  -14    2   20 o   44.510   0.2826   44.300   0.3979   44.720   0.4013 -0.4159000 0.5651000 
1 1 1  -14    2   21 o   16.660   0.2122   16.640   0.2802   16.680   0.3188 -0.3835000E-01 0.4244000 
1 1 1  -14    2   22 o   21.620   0.2000   21.420   0.2627   21.810   0.3017 -0.3880000 0.4000000 
1 1 1  -14    2   23 o   13.760   0.2323   13.850   0.3061   13.670   0.3495 0.1780000 0.4646000 
1 1 1  -14    2   24 o   5.4560   0.7893   6.5010   0.8073   4.4120   1.3570 2.089000 1.579000 
1 1 1  -14    2   25 o   13.970   0.2590   13.200   0.3204   14.740   0.4070 -1.536000 0.5179000 
1 1 1  -14    2   26 o   2.3210   0.6858   2.0840   0.9040   2.5580   1.0310 -0.4736000 1.372000 
1 1 1  -14    2   27 o   2.3050   0.6743   2.5800   0.9861   2.0300   0.9199 0.5498000 1.349000 
1 1 1  -14    2   28 o   19.440   0.2174   19.010   0.2915   19.870   0.3225 -0.8518000 0.4348000 
1 1 1  -14    2   29 o   10.680   0.3453   10.610   0.5365   10.750   0.4349 -0.1421000 0.6907000 
1 1 1  -14    2   30 o   3.1090   0.7295   2.2950   1.0020   3.9220   1.0600 -1.627000 1.459000 
1 1 1  -14    2   31 o   6.4880   0.5684   5.9330   0.7782   7.0440   0.8286 -1.111000 1.137000 
1 1 1  -14    2   32 o   2.4280   0.7815   2.0460   0.9489   2.8090   1.2420 -0.7627000 1.563000 
1 1 1  -14    2   33 o   3.1030   0.8083   2.9940   1.0750   3.2120   1.2070 -0.2172000 1.617000 
1 1 1  -14    2   34 o   2.1410   0.6724   2.3810   1.0010   1.9020   0.8980 0.4792000 1.345000 
1 1 1  -14    4    1 o   51.800   0.2614   51.860   0.3700   51.740   0.3695 0.1267000 0.5229000 
1 1 1  -14    4    2 f   62.730   0.3143   63.020   0.4463   62.430   0.4426 0.5863000 0.6286000 
1 1 1  -14    4    3 o   57.930   0.2910   57.760   0.4104   58.090   0.4127 -0.3299000 0.5820000 
1 1 1  -14    4    4 o   38.280   0.2134   38.200   0.3223   38.370   0.2798 -0.1652000 0.4267000 
1 1 1  -14    4    5 o   34.410   0.2339   34.550   0.3638   34.260   0.2940 0.2848000 0.4677000 
1 1 1  -14    4    6 o   18.950   0.2027  ?   ?    18.950   0.2027      ?      ? 
1 1 1  -14    4    7 o   18.930   0.1456   19.040   0.2087   18.820   0.2029 0.2200000 0.2911000 
1 1 1  -14    4    8 o   38.470   0.2330   38.400   0.3291   38.540   0.3299 -0.1382000 0.4660000 
1 1 1  -14    4    9 o   24.610   0.2932   24.610   0.2932  ?   ?       ?      ? 
1 1 1  -14    4   10 o   20.510   0.1946   20.230   0.2763   20.780   0.2741 -0.5516000 0.3892000 
1 1 1  -14    4   11 o   21.250   0.1844   20.880   0.2312   21.610   0.2874 -0.7288000 0.3689000 
1 1 1  -14    4   12 f   7.7340   0.2428   7.4820   0.3572   7.9860   0.3290 -0.5040000 0.4856000 
1 1 1  -14    4   13 o   23.380   0.1645   23.160   0.2157   23.600   0.2484 -0.4406000 0.3290000 
1 1 1  -14    4   14 o   12.320   0.1817   12.230   0.2418   12.420   0.2714 -0.1919000 0.3635000 
1 1 1  -14    4   15 o   33.340   0.2072   33.300   0.2710   33.380   0.3134 -0.8372000E-01 0.4143000 
1 1 1  -14    4   16 o   23.610   0.1828   23.310   0.2376   23.920   0.2778 -0.6054000 0.3655000 
1 1 1  -14    4   17 o   15.960   0.1948   16.220   0.2546   15.690   0.2949 0.5297000 0.3896000 
1 1 1  -14    4   18 o   24.140   0.2052   23.840   0.2936   24.440   0.2867 -0.6000000 0.4103000 
1 1 1  -14    4   19 o   56.590   0.4206   56.590   0.5944   56.590   0.5951 -0.2274000E-02 0.8411000 
1 1 1  -14    4   20 o   25.890   0.2133   25.860   0.3029   25.930   0.3004 -0.6154000E-01 0.4266000 
1 1 1  -14    4   21 o   5.4190   0.5049   5.0780   0.7292   5.7610   0.6985 -0.6834000 1.010000 
1 1 1  -14    4   22 o   15.730   0.2132   15.670   0.2813   15.790   0.3203 -0.1240000 0.4263000 
1 1 1  -14    4   23 o   16.760   0.2498   16.820   0.3243   16.710   0.3799 0.1153000 0.4995000 
1 1 1  -14    4   24 o   24.510   0.2457   24.930   0.3117   24.090   0.3800 0.8410000 0.4915000 
1 1 1  -14    4   25 o   11.100   0.2741   10.840   0.3681   11.360   0.4061 -0.5202000 0.5481000 
1 1 1  -14    4   26 o   10.520   0.2828   10.830   0.3620   10.220   0.4347 0.6054000 0.5657000 
1 1 1  -14    4   27 o   14.870   0.3025   15.230   0.4193   14.510   0.4363 0.7168000 0.6051000 
1 1 1  -14    4   28 f   9.4800   0.3755   9.9270   0.5639   9.0320   0.4960 0.8958000 0.7510000 
1 1 1  -14    4   29 o   10.820   0.2923   10.810   0.3871   10.840   0.4381 -0.3384000E-01 0.5847000 
1 1 1  -14    4   30 o   8.9250   0.3497   9.1640   0.4499   8.6870   0.5354 0.4773000 0.6993000 
1 1 1  -14    4   31 o   3.2310   0.8590   3.5870   1.2400   2.8750   1.1890 0.7125000 1.718000 
1 1 1  -14    4   32 o   9.4250   0.3606   9.9500   0.4614   8.9000   0.5544 1.050000 0.7213000 
1 1 1  -14    4   33 o   4.6590   0.8622   5.0910   0.8723   4.2260   1.4880 0.8650000 1.724000 
1 1 1  -14    4   34 o   2.9340   0.8776   1.8260   0.8680   4.0430   1.5260 -2.217000 1.755000 
1 1 1  -14    6    1 o   27.340   0.1548   27.500   0.2200   27.180   0.2180 0.3201000 0.3097000 
1 1 1  -14    6    2 o   21.170   0.1334   21.210   0.1884   21.120   0.1889 0.8754000E-01 0.2668000 
1 1 1  -14    6    3 o   41.430   0.2154   41.390   0.3044   41.470   0.3049 -0.7742000E-01 0.4308000 
1 1 1  -14    6    4 o   34.910   0.2014   34.520   0.3027   35.290   0.2659 -0.7662000 0.4029000 
1 1 1  -14    6    5 o   42.880   0.2407   42.680   0.3630   43.070   0.3162 -0.3942000 0.4814000 
1 1 1  -14    6    6 o   14.310   0.1533   14.490   0.2143   14.130   0.2191 0.3571000 0.3065000 
1 1 1  -14    6    7 o   17.120   0.1932   17.180   0.2708   17.050   0.2755 0.1308000 0.3863000 
1 1 1  -14    6    8 o   23.630   0.2094   23.990   0.3000   23.260   0.2922 0.7240000 0.4188000 
1 1 1  -14    6    9 f   14.310   0.1647   14.460   0.2323   14.170   0.2336 0.2841000 0.3294000 
1 1 1  -14    6   10 o   24.200   0.2198   23.810   0.3131   24.600   0.3086 -0.7908000 0.4396000 
1 1 1  -14    6   11 o   4.5480   0.4381   4.1890   0.6905   4.9060   0.5393 -0.7169000 0.8761000 
1 1 1  -14    6   12 o   25.760   0.2098   25.410   0.2657   26.110   0.3247 -0.7011000 0.4196000 
1 1 1  -14    6   13 f   18.610   0.2039   19.030   0.3192   18.200   0.2538 0.8292000 0.4078000 
1 1 1  -14    6   14 o   53.680   0.3236   53.780   0.4587   53.580   0.4566 0.2048000 0.6472000 
1 1 1  -14    6   15 o   36.170   0.2394   35.980   0.3377   36.360   0.3394 -0.3766000 0.4788000 
1 1 1  -14    6   16 o   24.320   0.2021   24.390   0.2881   24.260   0.2836 0.1367000 0.4042000 
1 1 1  -14    6   17 o   21.260   0.2294   21.660   0.3600   20.870   0.2844 0.7960000 0.4588000 
1 1 1  -14    6   18 o   3.4080   0.8066   3.2850   1.0980   3.5300   1.1820 -0.2446000 1.613000 
1 1 1  -14    6   19 o   3.8890   0.6955   4.9640   0.8944   2.8130   1.0650 2.152000 1.391000 
1 1 1  -14    6   20 o   30.800   0.2125   31.050   0.2817   30.540   0.3182 0.5070000 0.4250000 
1 1 1  -14    6   21 o   9.1780   0.3079   9.1930   0.4112   9.1640   0.4584 0.2910000E-01 0.6158000 
1 1 1  -14    6   22 o   9.7430   0.2939   9.5180   0.4052   9.9690   0.4258 -0.4505000 0.5878000 
1 1 1  -14    6   23 o   4.0750   0.7303   4.8400   0.9108   3.3100   1.1420 1.529000 1.461000 
1 1 1  -14    6   24 o   3.2240   0.7542   3.8630   1.0590   2.5850   1.0740 1.278000 1.508000 
1 1 1  -14    6   25 o   15.200   0.2694   15.160   0.4195   15.240   0.3380 -0.7772000E-01 0.5388000 
1 1 1  -14    6   26 o   7.7420   0.4293   8.0430   0.6479   7.4400   0.5634 0.6039000 0.8586000 
1 1 1  -14    6   27 o   12.830   0.2724   12.900   0.3937   12.760   0.3767 0.1375000 0.5449000 
1 1 1  -14    6   28 o   9.0670   0.3385   9.6270   0.4288   8.5070   0.5239 1.119000 0.6770000 
1 1 1  -14    6   29 o   16.680   0.2334   16.640   0.3060   16.720   0.3527 -0.8206000E-01 0.4669000 
1 1 1  -14    6   30 o   6.3810   0.6001   5.5080   0.8629   7.2540   0.8344 -1.746000 1.200000 
1 1 1  -14    6   31 o   3.2300   0.7404   2.3920   1.0310   4.0680   1.0630 -1.676000 1.481000 
1 1 1  -14    6   32 o   3.2010   0.7405   3.7760   1.0280   2.6270   1.0660 1.149000 1.481000 
1 1 1  -14    6   33 o   1.7200   0.5888   1.6050   0.7846   1.8360   0.8781 -0.2304000 1.178000 
1 1 1  -14    8    1 o   15.120   0.1476   14.880   0.1975   15.370   0.2193 -0.4915000 0.2952000 
1 1 1  -14    8    2 o   21.700   0.1642   21.990   0.2336   21.400   0.2309 0.5952000 0.3284000 
1 1 1  -14    8    3 o   12.610   0.1492   12.560   0.2129   12.660   0.2090 -0.1040000 0.2984000 
1 1 1  -14    8    4 o   27.100   0.1741   26.710   0.2615   27.490   0.2298 -0.7782000 0.3482000 
1 1 1  -14    8    5 o   10.510   0.1821   10.230   0.2795   10.780   0.2336 -0.5491000 0.3642000 
1 1 1  -14    8    6 o   7.7500   0.2319   7.7480   0.3541   7.7530   0.2995 -0.5439000E-02 0.4637000 
1 1 1  -14    8    7 o   27.840   0.2155   27.760   0.2721   27.930   0.3341 -0.1654000 0.4309000 
1 1 1  -14    8    8 o   11.900   0.2148   11.650   0.2766   12.150   0.3286 -0.5044000 0.4295000 
1 1 1  -14    8    9 o   30.900   0.2090   30.880   0.2942   30.910   0.2969 -0.2625000E-01 0.4180000 
1 1 1  -14    8   10 o   21.160   0.1993   20.920   0.3054   21.390   0.2562 -0.4689000 0.3986000 
1 1 1  -14    8   11 o   41.340   0.2592   41.470   0.3676   41.200   0.3655 0.2706000 0.5184000 
1 1 1  -14    8   12 o   35.730   0.2343   35.670   0.3314   35.780   0.3313 -0.1037000 0.4686000 
1 1 1  -14    8   13 o   10.390   0.2642   10.460   0.3748   10.310   0.3724 0.1568000 0.5284000 
1 1 1  -14    8   14 o   18.370   0.2043   18.140   0.2950   18.610   0.2827 -0.4649000 0.4086000 
1 1 1  -14    8   15 o   31.900   0.2502   31.600   0.3851   32.200   0.3196 -0.6048000 0.5005000 
1 1 1  -14    8   16 o   19.530   0.2594   19.790   0.3720   19.280   0.3617 0.5089000 0.5189000 
1 1 1  -14    8   17 o   17.150   0.4118   17.150   0.4118  ?   ?       ?      ? 
1 1 1  -14    8   18 o   6.7650   0.5106   6.9300   0.7821   6.6000   0.6568 0.3293000 1.021000 
1 1 1  -14    8   19 o   7.1440   0.4687   7.3270   0.7196   6.9600   0.6008 0.3671000 0.9375000 
1 1 1  -14    8   20 o   14.890   0.2418   15.070   0.3500   14.710   0.3337 0.3645000 0.4836000 
1 1 1  -14    8   21 o   13.270   0.2584   13.380   0.3733   13.150   0.3574 0.2319000 0.5168000 
1 1 1  -14    8   22 o   13.850   0.2833   14.260   0.3644   13.440   0.4340 0.8241000 0.5667000 
1 1 1  -14    8   23 f   13.950   0.2771   13.780   0.3679   14.130   0.4145 -0.3537000 0.5542000 
1 1 1  -14    8   24 o   9.8110   0.3589   9.9870   0.5482   9.6360   0.4636 0.3514000 0.7179000 
1 1 1  -14    8   25 o   7.1440   0.4823   6.5730   0.7909   7.7140   0.5524 -1.141000 0.9647000 
1 1 1  -14    8   26 o   2.3470   0.6828   2.0500   0.9062   2.6450   1.0210 -0.5949000 1.366000 
1 1 1  -14    8   27 o   11.330   0.2804   11.290   0.3798   11.380   0.4125 -0.8516000E-01 0.5607000 
1 1 1  -14    8   28 o   6.1310   0.4656   6.0260   0.6482   6.2370   0.6686 -0.2116000 0.9312000 
1 1 1  -14    8   29 o   4.6250   0.6444   4.7400   0.8429   4.5100   0.9749 0.2302000 1.289000 
1 1 1  -14    8   30 o   1.9510   0.6471   2.2650   1.0040   1.6380   0.8164 0.6278000 1.294000 
1 1 1  -14    8   31 o   6.0820   0.5538   6.1530   0.8027   6.0120   0.7631 0.1413000 1.108000 
1 1 1  -14    8   32 o   9.6040   0.3478   10.020   0.4579   9.1900   0.5235 0.8287000 0.6955000 
1 1 1  -14    8   33 o   4.6940   0.6890   3.6350   1.0750   5.7530   0.8614 -2.118000 1.378000 
1 1 1  -14   10    1 o   9.1590   0.2220   9.5330   0.3317   8.7860   0.2951 0.7473000 0.4440000 
1 1 1  -14   10    2 o   28.650   0.2004   28.790   0.2844   28.510   0.2824 0.2728000 0.4007000 
1 1 1  -14   10    3 o   45.890   0.2812   45.810   0.3974   45.970   0.3979 -0.1594000 0.5623000 
1 1 1  -14   10    4 o   15.670   0.1589   15.420   0.2264   15.920   0.2229 -0.5075000 0.3177000 
1 1 1  -14   10    5 o   11.490   0.1966   11.770   0.2958   11.200   0.2591 0.5677000 0.3933000 
1 1 1  -14   10    6 o   3.5990   0.5466   3.9280   0.7690   3.2690   0.7768 0.6588000 1.093000 
1 1 1  -14   10    7 o   19.720   0.1968   19.160   0.3239   20.280   0.2235 -1.119000 0.3936000 
1 1 1  -14   10    8 o   48.600   0.2976   48.570   0.4202   48.640   0.4216 -0.7557000E-01 0.5952000 
1 1 1  -14   10    9 o   19.730   0.1883   19.760   0.2687   19.690   0.2639 0.7179000E-01 0.3766000 
1 1 1  -14   10   10 o   91.520   0.5342   91.810   0.7578   91.220   0.7532 0.5880000 1.068000 
1 1 1  -14   10   11 o   46.220   0.2882   46.400   0.4086   46.050   0.4066 0.3492000 0.5765000 
1 1 1  -14   10   12 o   42.470   0.2710   42.260   0.3819   42.680   0.3847 -0.4185000 0.5420000 
1 1 1  -14   10   13 o   39.550   0.2583   39.800   0.3672   39.300   0.3635 0.5005000 0.5167000 
1 1 1  -14   10   14 o   32.910   0.2858   32.910   0.4067   32.910   0.4016 0.3613000E-02 0.5716000 
1 1 1  -14   10   15 o   29.440   0.2748   29.700   0.3943   29.170   0.3830 0.5353000 0.5496000 
1 1 1  -14   10   16 o   18.600   0.2289   18.490   0.3290   18.700   0.3183 -0.2093000 0.4577000 
1 1 1  -14   10   17 o   10.090   0.3616   10.040   0.5613   10.140   0.4559 -0.9652000E-01 0.7232000 
1 1 1  -14   10   18 o   21.580   0.2220   21.510   0.3254   21.650   0.3021 -0.1425000 0.4441000 
1 1 1  -14   10   19 o   18.330   0.2266   18.160   0.3310   18.500   0.3095 -0.3344000 0.4532000 
1 1 1  -14   10   20 o   13.480   0.3240   13.270   0.4953   13.700   0.4177 -0.4240000 0.6479000 
1 1 1  -14   10   21 o   16.510   0.2408   16.620   0.3459   16.390   0.3350 0.2261000 0.4815000 
1 1 1  -14   10   22 o   8.4290   0.4292   8.8070   0.6009   8.0500   0.6130 0.7571000 0.8584000 
1 1 1  -14   10   23 o   6.9400   0.4836   7.0720   0.7337   6.8090   0.6303 0.2625000 0.9673000 
1 1 1  -14   10   24 o   9.8290   0.3363   9.8180   0.4823   9.8390   0.4688 -0.2125000E-01 0.6726000 
1 1 1  -14   10   25 o   6.0490   0.5117   5.7680   0.7765   6.3310   0.6666 -0.5635000 1.023000 
1 1 1  -14   10   26 o   7.7400   0.3812   7.5460   0.5277   7.9350   0.5502 -0.3887000 0.7624000 
1 1 1  -14   10   27 o   9.1420   0.3282   8.9790   0.4491   9.3050   0.4787 -0.3258000 0.6564000 
1 1 1  -14   10   28 o   5.3750   0.5611   5.9390   0.6738   4.8120   0.8973 1.127000 1.122000 
1 1 1  -14   10   29 o   2.8740   0.7691   1.9290   0.9023   3.8200   1.2460 -1.891000 1.538000 
1 1 1  -14   10   30 o   8.6130   0.3947   8.5270   0.5761   8.7000   0.5395 -0.1731000 0.7893000 
1 1 1  -14   10   31 o   3.5020   0.7385   4.0560   0.9844   2.9470   1.1010 1.108000 1.477000 
1 1 1  -14   10   32 o   3.9950   0.7273   4.7290   0.9282   3.2610   1.1200 1.468000 1.455000 
1 1 1  -14   12    1 o   26.170   0.2070   25.380   0.3299   26.960   0.2501 -1.580000 0.4140000 
1 1 1  -14   12    2 o   35.810   0.2213   35.510   0.2874   36.120   0.3366 -0.6124000 0.4426000 
1 1 1  -14   12    3 o   24.000   0.1694   24.100   0.2401   23.900   0.2391 0.2055000 0.3388000 
1 1 1  -14   12    4 o   4.5730   0.4568   5.0260   0.5678   4.1200   0.7158 0.9062000 0.9137000 
1 1 1  -14   12    5 o   16.670   0.1872   16.900   0.2831   16.440   0.2451 0.4600000 0.3745000 
1 1 1  -14   12    6 o   36.050   0.2239   36.160   0.3391   35.950   0.2923 0.2196000 0.4477000 
1 1 1  -14   12    7 o   17.580   0.1895   17.770   0.2865   17.390   0.2480 0.3763000 0.3789000 
1 1 1  -14   12    8 o   49.010   0.2832   48.670   0.4259   49.350   0.3733 -0.6860000 0.5663000 
1 1 1  -14   12    9 f   67.520   0.4017   67.510   0.5680   67.520   0.5682 -0.2518000E-02 0.8034000 
1 1 1  -14   12   10 o   7.5470   0.3571   7.7500   0.4914   7.3440   0.5184 0.4057000 0.7143000 
1 1 1  -14   12   11 o   33.400   0.2349   33.610   0.3338   33.190   0.3305 0.4284000 0.4697000 
1 1 1  -14   12   12 o   45.450   0.3563   45.460   0.5029   45.440   0.5047 0.2478000E-01 0.7125000 
1 1 1  -14   12   13 o   34.250   0.3001   34.370   0.4245   34.120   0.4242 0.2480000 0.6001000 
1 1 1  -14   12   14 o   22.570   0.2676   22.150   0.3792   23.000   0.3778 -0.8498000 0.5353000 
1 1 1  -14   12   15 f   33.060   0.2684   32.850   0.4154   33.260   0.3402 -0.4097000 0.5369000 
1 1 1  -14   12   16 o   5.3050   0.7236   5.6860   0.9472   4.9240   1.0940 0.7625000 1.447000 
1 1 1  -14   12   17 o   36.840   0.2556   37.030   0.3647   36.650   0.3581 0.3830000 0.5111000 
1 1 1  -14   12   18 o   8.5880   0.4072   8.4520   0.5576   8.7250   0.5935 -0.2727000 0.8144000 
1 1 1  -14   12   19 o   6.2080   0.6465   5.7220   1.0440   6.6950   0.7624 -0.9726000 1.293000 
1 1 1  -14   12   20 o   17.550   0.2591   17.560   0.4033   17.550   0.3254 0.1575000E-01 0.5182000 
1 1 1  -14   12   21 o   25.540   0.2739   25.440   0.3878   25.640   0.3869 -0.1987000 0.5478000 
1 1 1  -14   12   22 o   2.1680   0.6767   2.4850   1.0400   1.8510   0.8661 0.6336000 1.353000 
1 1 1  -14   12   23 o   5.9620   0.5326   5.7150   0.8194   6.2090   0.6807 -0.4942000 1.065000 
1 1 1  -14   12   24 o   12.290   0.2920   12.740   0.4140   11.840   0.4120 0.9086000 0.5841000 
1 1 1  -14   12   25 o   11.180   0.3114   10.710   0.4569   11.660   0.4232 -0.9465000 0.6228000 
1 1 1  -14   12   26 o   7.8600   0.4116   7.7290   0.6058   7.9920   0.5572 -0.2628000 0.8231000 
1 1 1  -14   12   27 o   11.070   0.3230   10.720   0.4680   11.410   0.4452 -0.6973000 0.6459000 
1 1 1  -14   12   28 o   4.0370   0.7941   5.2630   1.0580   2.8110   1.1840 2.452000 1.588000 
1 1 1  -14   12   29 o   6.1710   0.5380   6.1030   0.7797   6.2390   0.7416 -0.1359000 1.076000 
1 1 1  -14   12   30 f   3.9120   0.6986   4.9050   0.8667   2.9180   1.0960 1.987000 1.397000 
1 1 1  -14   12   31 o   2.1380   0.6788   1.8840   0.8801   2.3920   1.0340 -0.5082000 1.358000 
1 1 1  -14   14    1 f   8.2170   0.2980   8.1740   0.4270   8.2610   0.4158 -0.8697000E-01 0.5960000 
1 1 1  -14   14    2 o   32.520   0.1991   32.410   0.2799   32.640   0.2831 -0.2322000 0.3981000 
1 1 1  -14   14    3 o   22.270   0.1772   22.080   0.2495   22.450   0.2517 -0.3692000 0.3544000 
1 1 1  -14   14    4 o   21.620   0.1781   21.780   0.2502   21.450   0.2535 0.3349000 0.3562000 
1 1 1  -14   14    5 o   44.700   0.2458   44.790   0.3478   44.600   0.3475 0.1925000 0.4917000 
1 1 1  -14   14    6 o   35.530   0.2280   35.570   0.3453   35.500   0.2979 0.7154000E-01 0.4560000 
1 1 1  -14   14    7 f   17.910   0.2438   17.700   0.3751   18.130   0.3114 -0.4334000 0.4875000 
1 1 1  -14   14    8 o   22.540   0.2995  ?   ?    22.540   0.2995      ?      ? 
1 1 1  -14   14    9 o   18.360   0.2487   18.700   0.3815   18.010   0.3192 0.6872000 0.4974000 
1 1 1  -14   14   10 o   32.280   0.2214   32.320   0.3364   32.250   0.2881 0.6784000E-01 0.4429000 
1 1 1  -14   14   11 o   13.470   0.2613   13.400   0.3732   13.530   0.3657 -0.1285000 0.5225000 
1 1 1  -14   14   12 f   30.920   0.2607   30.880   0.4029   30.970   0.3310 -0.8688000E-01 0.5214000 
1 1 1  -14   14   13 o   47.850   0.3406   47.330   0.5234   48.360   0.4361 -1.029000 0.6813000 
1 1 1  -14   14   14 o   24.200   0.2277   24.310   0.3195   24.090   0.3244 0.2237000 0.4554000 
1 1 1  -14   14   15 o   30.200   0.2355   30.500   0.3343   29.910   0.3318 0.5921000 0.4710000 
1 1 1  -14   14   16 o   13.280   0.3422   12.530   0.5243   14.020   0.4400 -1.489000 0.6844000 
1 1 1  -14   14   17 o   6.5080   0.6197   6.9480   0.8712   6.0670   0.8816 0.8810000 1.239000 
1 1 1  -14   14   18 o   12.900   0.3075   12.470   0.4805   13.330   0.3838 -0.8548000 0.6150000 
1 1 1  -14   14   19 o   18.200   0.2818   18.310   0.3970   18.100   0.4000 0.2070000 0.5635000 
1 1 1  -14   14   20 o   21.280   0.2541   21.380   0.3305   21.170   0.3859 0.2164000 0.5081000 
1 1 1  -14   14   21 o   7.5200   0.4250   7.9100   0.5810   7.1310   0.6204 0.7787000 0.8499000 
1 1 1  -14   14   22 o   19.910   0.2330   20.090   0.3340   19.740   0.3249 0.3439000 0.4660000 
1 1 1  -14   14   23 o   8.1490   0.3927   7.7670   0.5936   8.5300   0.5141 -0.7631000 0.7853000 
1 1 1  -14   14   24 o   14.530   0.2706   14.270   0.3914   14.790   0.3736 -0.5201000 0.5411000 
1 1 1  -14   14   25 o   14.620   0.2681   14.560   0.3872   14.690   0.3710 -0.1382000 0.5363000 
1 1 1  -14   14   26 o   12.760   0.3756   12.820   0.5288   12.700   0.5334 0.1158000 0.7512000 
1 1 1  -14   14   27 o   6.8240   0.4941   6.8960   0.7180   6.7520   0.6790 0.1441000 0.9882000 
1 1 1  -14   14   28 o   4.9030   0.7513   4.6060   1.2010   5.2000   0.9032 -0.5934000 1.503000 
1 1 1  -14   14   29 o   2.3770   0.7287   2.2960   1.0200   2.4580   1.0410 -0.1627000 1.457000 
1 1 1  -14   14   30 o   3.8120   0.8081   3.4440   1.2000   4.1800   1.0830 -0.7367000 1.616000 
1 1 1  -14   16    1 f   22.590   0.1910   22.740   0.2714   22.430   0.2689 0.3133000 0.3820000 
1 1 1  -14   16    2 o   17.660   0.1965   17.530   0.2759   17.790   0.2797 -0.2608000 0.3929000 
1 1 1  -14   16    3 o   16.080   0.2045   16.050   0.2890   16.110   0.2893 -0.6275000E-01 0.4089000 
1 1 1  -14   16    4 o   43.310   0.2440   43.260   0.3443   43.350   0.3460 -0.9314000E-01 0.4881000 
1 1 1  -14   16    5 o   10.570   0.2683   10.550   0.3779   10.590   0.3809 -0.3516000E-01 0.5365000 
1 1 1  -14   16    6 o   40.310   0.2528   40.100   0.3819   40.520   0.3314 -0.4188000 0.5056000 
1 1 1  -14   16    7 o   22.310   0.2094   22.960   0.3166   21.660   0.2743 1.297000 0.4188000 
1 1 1  -14   16    8 o   22.760   0.2543   22.790   0.3971   22.740   0.3178 0.5218000E-01 0.5086000 
1 1 1  -14   16    9 o   5.9970   0.6168   5.9100   0.9814   6.0840   0.7473 -0.1735000 1.234000 
1 1 1  -14   16   10 o   6.3280   0.6336   5.0010   1.1090   7.6550   0.6130 -2.653000 1.267000 
1 1 1  -14   16   11 o   14.810   0.2436   14.640   0.3698   14.970   0.3173 -0.3334000 0.4872000 
1 1 1  -14   16   12 o   20.540   0.2286   20.260   0.3232   20.810   0.3234 -0.5460000 0.4572000 
1 1 1  -14   16   13 o   14.220   0.3310   14.450   0.4787   13.990   0.4573 0.4569000 0.6620000 
1 1 1  -14   16   14 o   26.180   0.2850   26.340   0.4075   26.030   0.3985 0.3097000 0.5700000 
1 1 1  -14   16   15 f   16.010   0.2620   15.960   0.3610   16.070   0.3800 -0.1102000 0.5241000 
1 1 1  -14   16   16 o   15.110   0.2878   14.510   0.4341   15.700   0.3782 -1.191000 0.5757000 
1 1 1  -14   16   17 o   10.370   0.3993   10.370   0.5498   10.380   0.5792 -0.1764000E-01 0.7986000 
1 1 1  -14   16   18 o   5.1250   0.6893   3.4070   1.1260   6.8430   0.7958 -3.437000 1.379000 
1 1 1  -14   16   19 o   23.320   0.2314   23.660   0.3314   22.980   0.3230 0.6761000 0.4627000 
1 1 1  -14   16   20 o   16.660   0.2452   16.740   0.3479   16.570   0.3456 0.1671000 0.4904000 
1 1 1  -14   16   21 o   14.050   0.2674   14.360   0.3753   13.740   0.3810 0.6178000 0.5348000 
1 1 1  -14   16   22 f   6.6310   0.4857   6.8730   0.6883   6.3890   0.6854 0.4838000 0.9713000 
1 1 1  -14   16   23 o   9.4790   0.3558   9.5960   0.5065   9.3620   0.4999 0.2335000 0.7117000 
1 1 1  -14   16   24 o   8.3350   0.5111   8.2740   0.7022   8.3970   0.7428 -0.1225000 1.022000 
1 1 1  -14   16   25 o   3.6200   0.8764   4.0560   1.2240   3.1830   1.2550 0.8729000 1.753000 
1 1 1  -14   16   26 o   8.9080   0.3902   8.7120   0.5809   9.1040   0.5212 -0.3914000 0.7805000 
1 1 1  -14   16   27 o   2.8110   0.8035   2.8100   1.1720   2.8120   1.0990 -0.1714000E-02 1.607000 
1 1 1  -14   16   28 o   4.1460   0.7197   5.4200   0.9181   2.8730   1.1090 2.547000 1.439000 
1 1 1  -14   16   29 o   2.3220   0.7549   2.4430   1.1180   2.2010   1.0150 0.2416000 1.510000 
1 1 1  -14   18    1 o   23.850   0.2008   23.880   0.2830   23.820   0.2849 0.5583000E-01 0.4016000 
1 1 1  -14   18    2 o   9.8770   0.3062   9.8400   0.4297   9.9150   0.4364 -0.7535000E-01 0.6125000 
1 1 1  -14   18    3 o   30.220   0.2071   30.200   0.2919   30.240   0.2940 -0.3921000E-01 0.4142000 
1 1 1  -14   18    4 o   9.9220   0.3033   9.9460   0.4243   9.8980   0.4335 0.4752000E-01 0.6066000 
1 1 1  -14   18    5 o   20.860   0.2177   21.030   0.3283   20.680   0.2860 0.3510000 0.4354000 
1 1 1  -14   18    6 o   2.2400   0.6794   2.3620   0.9843   2.1180   0.9367 0.2433000 1.359000 
1 1 1  -14   18    7 o   21.640   0.2162   21.700   0.3275   21.590   0.2825 0.1140000 0.4325000 
1 1 1  -14   18    8 o   14.770   0.3017   15.120   0.4653   14.410   0.3841 0.7074000 0.6034000 
1 1 1  -14   18    9 o   18.570   0.2761   18.750   0.4367   18.390   0.3379 0.3596000 0.5522000 
1 1 1  -14   18   10 o   16.190   0.2858   16.190   0.4474   16.180   0.3558 0.1317000E-01 0.5717000 
1 1 1  -14   18   11 o   10.680   0.3090   10.140   0.4822   11.220   0.3864 -1.083000 0.6179000 
1 1 1  -14   18   12 o   13.350   0.2639   13.220   0.4011   13.490   0.3432 -0.2762000 0.5279000 
1 1 1  -14   18   13 o   12.920   0.2702   13.070   0.4073   12.770   0.3551 0.3035000 0.5404000 
1 1 1  -14   18   14 o   15.390   0.3073   15.140   0.4303   15.640   0.4390 -0.5055000 0.6147000 
1 1 1  -14   18   15 o   15.850   0.3039   15.690   0.4275   16.010   0.4319 -0.3229000 0.6077000 
1 1 1  -14   18   16 o   6.0970   0.5680   4.7280   0.9467   7.4670   0.6280 -2.740000 1.136000 
1 1 1  -14   18   17 o   4.0660   0.7602   4.1540   1.0570   3.9780   1.0930 0.1757000 1.520000 
1 1 1  -14   18   18 o   5.5590   0.6001   5.9960   0.7689   5.1220   0.9215 0.8737000 1.200000 
1 1 1  -14   18   19 o   9.8120   0.3539   9.9700   0.4896   9.6540   0.5111 0.3163000 0.7078000 
1 1 1  -14   18   20 o   19.450   0.2779   18.880   0.4419   20.010   0.3370 -1.129000 0.5558000 
1 1 1  -14   18   21 o   5.3100   0.6247   4.1840   1.0480   6.4370   0.6808 -2.253000 1.249000 
1 1 1  -14   18   22 o   5.7540   0.7412   5.0570   1.1230   6.4510   0.9676 -1.393000 1.482000 
1 1 1  -14   18   23 o   11.700   0.4012   11.950   0.5396   11.450   0.5937 0.4950000 0.8023000 
1 1 1  -14   18   24 o   2.6110   0.7236   1.9170   0.9057   3.3060   1.1290 -1.389000 1.447000 
1 1 1  -14   18   25 o   4.5840   0.7477   3.3950   1.2500   5.7740   0.8202 -2.379000 1.495000 
1 1 1  -14   18   26 o   2.0330   0.6754   2.0230   0.9641   2.0430   0.9462 -0.2043000E-01 1.351000 
1 1 1  -14   18   27 o   11.060   0.3462   11.090   0.5045   11.020   0.4741 0.6775000E-01 0.6923000 
1 1 1  -14   18   28 o   3.0740   0.8799   3.4710   1.3320   2.6770   1.1500 0.7943000 1.760000 
1 1 1  -14   20    1 f   17.410   0.2190   17.560   0.3090   17.250   0.3103 0.3103000 0.4379000 
1 1 1  -14   20    2 f   19.130   0.2108   18.790   0.3004   19.470   0.2958 -0.6825000 0.4216000 
1 1 1  -14   20    3 o   14.960   0.2337   15.020   0.3287   14.910   0.3324 0.1184000 0.4675000 
1 1 1  -14   20    4 o   12.870   0.2529   12.640   0.3585   13.110   0.3568 -0.4691000 0.5058000 
1 1 1  -14   20    5 o   8.1720   0.3589   8.4980   0.4793   7.8470   0.5344 0.6507000 0.7178000 
1 1 1  -14   20    6 o   15.920   0.2234   15.740   0.3111   16.100   0.3207 -0.3618000 0.4468000 
1 1 1  -14   20    7 o   9.6080   0.3372   9.5740   0.5065   9.6420   0.4454 -0.6817000E-01 0.6745000 
1 1 1  -14   20    8 o   15.220   0.2527   15.170   0.3826   15.270   0.3301 -0.1018000 0.5053000 
1 1 1  -14   20    9 o   9.1520   0.3869   9.1660   0.5604   9.1370   0.5337 0.2855000E-01 0.7739000 
1 1 1  -14   20   10 o   10.550   0.3378   10.730   0.4709   10.370   0.4843 0.3590000 0.6755000 
1 1 1  -14   20   11 o   17.050   0.2735   17.450   0.4205   16.660   0.3499 0.7861000 0.5470000 
1 1 1  -14   20   12 o   9.5840   0.3726   8.9370   0.6180   10.230   0.4164 -1.293000 0.7452000 
1 1 1  -14   20   13 o   12.110   0.3111   12.200   0.4992   12.020   0.3713 0.1808000 0.6222000 
1 1 1  -14   20   14 o   11.550   0.2891   11.110   0.4474   11.980   0.3662 -0.8709000 0.5782000 
1 1 1  -14   20   15 o   20.910   0.2222   21.080   0.3378   20.750   0.2888 0.3367000 0.4445000 
1 1 1  -14   20   16 o   4.4670   0.7248   4.8990   0.9500   4.0350   1.0950 0.8642000 1.450000 
1 1 1  -14   20   17 o   2.5270   0.7567   2.5600   1.0730   2.4940   1.0670 0.6642000E-01 1.513000 
1 1 1  -14   20   18 o   2.6350   0.7407   3.1030   1.1110   2.1670   0.9795 0.9360000 1.481000 
1 1 1  -14   20   19 o   8.4910   0.4126   8.8870   0.5504   8.0950   0.6147 0.7918000 0.8252000 
1 1 1  -14   20   20 o   4.5600   0.9022   3.8470   1.2840   5.2740   1.2680 -1.427000 1.804000 
1 1 1  -14   20   21 o   6.5820   0.5471   6.1170   0.8170   7.0470   0.7280 -0.9298000 1.094000 
1 1 1  -14   20   22 o   7.1240   0.4989   6.4450   0.7615   7.8020   0.6446 -1.357000 0.9977000 
1 1 1  -14   20   23 o   7.7760   0.4707   7.2240   0.6873   8.3290   0.6433 -1.105000 0.9414000 
1 1 1  -14   20   24 f   12.220   0.3594   12.250   0.5462   12.190   0.4672 0.5301000E-01 0.7187000 
1 1 1  -14   20   25 o   3.3420   0.8281   3.0090   1.1540   3.6740   1.1880 -0.6651000 1.656000 
1 1 1  -14   20   26 o   4.4180   0.8854   3.7200   1.3360   5.1170   1.1630 -1.396000 1.771000 
1 1 1  -14   22    1 o   10.780   0.2922   11.350   0.3937   10.220   0.4319 1.125000 0.5844000 
1 1 1  -14   22    2 o   14.630   0.2400   14.340   0.3394   14.920   0.3395 -0.5743000 0.4800000 
1 1 1  -14   22    3 o   12.740   0.2625   12.600   0.3738   12.880   0.3687 -0.2713000 0.5250000 
1 1 1  -14   22    4 o   16.330   0.2256   16.370   0.3196   16.290   0.3187 0.8038000E-01 0.4513000 
1 1 1  -14   22    5 o   8.3280   0.3589   7.9550   0.5254   8.7020   0.4892 -0.7466000 0.7179000 
1 1 1  -14   22    6 o   11.760   0.2765   11.540   0.3930   11.970   0.3890 -0.4294000 0.5530000 
1 1 1  -14   22    7 o   7.9240   0.4018   7.7050   0.6212   8.1420   0.5098 -0.4367000 0.8036000 
1 1 1  -14   22    8 o   12.000   0.2910   11.760   0.4467   12.240   0.3730 -0.4796000 0.5819000 
1 1 1  -14   22    9 o   4.0350   0.7971   4.4740   1.2200   3.5970   1.0270 0.8766000 1.594000 
1 1 1  -14   22   10 o   5.7680   0.6211   6.0220   1.0030   5.5130   0.7324 0.5093000 1.242000 
1 1 1  -14   22   11 o   15.040   0.2496   14.950   0.3791   15.130   0.3249 -0.1869000 0.4993000 
1 1 1  -14   22   12 o   11.970   0.2825   12.070   0.4268   11.870   0.3702 0.1999000 0.5650000 
1 1 1  -14   22   13 o   4.0750   0.6773   3.0040   1.1110   5.1460   0.7758 -2.142000 1.355000 
1 1 1  -14   22   14 o   4.8520   0.6276   4.8000   0.9534   4.9030   0.8165 -0.1034000 1.255000 
1 1 1  -14   22   15 o   6.4270   0.4693   6.3560   0.7059   6.4990   0.6187 -0.1425000 0.9387000 
1 1 1  -14   22   16 o   3.2610   0.7725   3.4220   1.1320   3.1000   1.0520 0.3216000 1.545000 
1 1 1  -14   22   17 o   2.2420   0.7238   2.4640   1.0950   2.0200   0.9463 0.4442000 1.448000 
1 1 1  -14   22   18 o   9.0310   0.5258   9.7060   0.6390   8.3560   0.8351 1.350000 1.052000 
1 1 1  -14   22   19 o   3.0320   0.8071   3.0630   1.1390   3.0010   1.1440 0.6126000E-01 1.614000 
1 1 1  -14   22   20 o   5.1240   0.6830   5.5530   0.8794   4.6940   1.0450 0.8594000 1.366000 
1 1 1  -14   22   21 o   9.9980   0.4246   9.7010   0.6636   10.290   0.5298 -0.5935000 0.8492000 
1 1 1  -14   22   22 o   3.9420   0.8720   4.4470   1.2790   3.4370   1.1860 1.010000 1.744000 
1 1 1  -14   22   23 o   3.7730   0.7904   2.3780   1.0990   5.1680   1.1360 -2.790000 1.581000 
1 1 1  -14   22   24 o   2.2490   0.7438   2.5380   1.1430   1.9600   0.9516 0.5784000 1.488000 
1 1 1  -14   24    1 o   8.7940   0.3392   9.0270   0.4655   8.5610   0.4934 0.4668000 0.6783000 
1 1 1  -14   24    2 o   6.7110   0.4366   6.1460   0.6671   7.2760   0.5635 -1.130000 0.8732000 
1 1 1  -14   24    3 o   11.100   0.2859   11.050   0.4039   11.150   0.4048 -0.1037000 0.5718000 
1 1 1  -14   24    4 o   10.810   0.2905   10.490   0.4190   11.120   0.4025 -0.6296000 0.5811000 
1 1 1  -14   24    5 o   4.0370   0.6704   4.9390   0.8251   3.1340   1.0570 1.805000 1.341000 
1 1 1  -14   24    6 o   6.8380   0.5041   5.6980   0.8577   7.9790   0.5298 -2.282000 1.008000 
1 1 1  -14   24    7 o   8.0540   0.4633   7.4220   0.7861   8.6860   0.4903 -1.264000 0.9265000 
1 1 1  -14   24    8 o   8.2410   0.4440   7.9800   0.7350   8.5020   0.4984 -0.5226000 0.8880000 
1 1 1  -14   24    9 o   10.660   0.3242   10.820   0.4977   10.500   0.4156 0.3192000 0.6485000 
1 1 1  -14   24   10 o   6.0670   0.5321   5.8760   0.8373   6.2590   0.6568 -0.3825000 1.064000 
1 1 1  -14   24   11 o   2.5450   0.7096   2.1390   0.9683   2.9510   1.0370 -0.8117000 1.419000 
1 1 1  -14   24   12 o   12.090   0.3529   11.690   0.5490   12.490   0.4437 -0.7986000 0.7059000 
1 1 1  -14   24   13 o   4.9730   0.7378   5.4740   1.0350   4.4710   1.0520 1.003000 1.476000 
1 1 1  -14   24   14 o   3.0090   0.8164   3.4740   1.2330   2.5430   1.0700 0.9304000 1.633000 
1 1 1  -14   24   15 o   8.6260   0.3784   8.8530   0.5611   8.3980   0.5079 0.4549000 0.7568000 
1 1 1  -14   24   16 o   3.3100   0.7693   2.9890   1.1250   3.6310   1.0500 -0.6417000 1.539000 
1 1 1  -14   24   17 o   5.1470   0.6560   4.2310   1.1050   6.0640   0.7075 -1.834000 1.312000 
1 1 1  -14   24   18 o   2.6360   0.7625   3.4180   1.2390   1.8540   0.8891 1.564000 1.525000 
1 1 1  -14   24   19 o   4.1930   0.8335   3.8040   1.2650   4.5810   1.0850 -0.7772000 1.667000 
1 1 1  -14   24   20 o   7.3830   0.5001   7.2900   0.6932   7.4760   0.7210 -0.1859000 1.000000 
1 1 1  -14   24   21 o   3.7220   0.8767   2.7720   1.2010   4.6720   1.2780 -1.900000 1.753000 
1 1 1  -14   24   22 f   2.0900   0.7111   2.1180   1.0150   2.0620   0.9961 0.5596000E-01 1.422000 
1 1 1  -14   26    1 o   6.1980   0.5473   6.6360   0.7121   5.7600   0.8312 0.8756000 1.095000 
1 1 1  -14   26    2 o   6.8560   0.5095   7.0010   0.6981   6.7110   0.7422 0.2900000 1.019000 
1 1 1  -14   26    3 o   13.920   0.2946   13.730   0.4189   14.110   0.4144 -0.3879000 0.5892000 
1 1 1  -14   26    4 o   3.0820   0.8492   2.7430   1.2420   3.4210   1.1580 -0.6784000 1.698000 
1 1 1  -14   26    5 o   9.9350   0.5160   9.5590   0.8977   10.310   0.5091 -0.7534000 1.032000 
1 1 1  -14   26    6 o   3.5870   0.8105   3.7190   1.1340   3.4540   1.1580 0.2651000 1.621000 
1 1 1  -14   26    7 o   6.1590   0.6375   5.8080   1.0230   6.5100   0.7611 -0.7013000 1.275000 
1 1 1  -14   26    8 o   5.9900   0.5362   6.0170   0.8066   5.9620   0.7067 0.5553000E-01 1.072000 
1 1 1  -14   26    9 o   7.6950   0.4257   7.5280   0.6646   7.8630   0.5322 -0.3356000 0.8515000 
1 1 1  -14   26   10 o   7.8740   0.4161   8.0520   0.6342   7.6970   0.5389 0.3553000 0.8322000 
1 1 1  -14   26   11 o   4.5380   0.7003   4.9670   0.9982   4.1080   0.9825 0.8589000 1.401000 
1 1 1  -14   26   12 o   4.5910   0.6881   4.7240   1.0110   4.4570   0.9333 0.2664000 1.376000 
1 1 1  -14   26   13 o   5.2880   0.6645   4.9730   0.9956   5.6020   0.8804 -0.6286000 1.329000 
1 1 1  -14   26   14 o   2.7320   0.7994   2.7250   1.1660   2.7390   1.0940 -0.1434000E-01 1.599000 
1 1 1  -14   26   15 o   2.2500   0.7130   1.9510   0.9382   2.5480   1.0740 -0.5979000 1.426000 
1 1 1  -14   26   16 o   5.5990   0.6015   5.1940   0.9496   6.0050   0.7385 -0.8112000 1.203000 
1 1 1  -14   26   17 o   3.7150   0.8440   3.1490   1.2720   4.2810   1.1100 -1.132000 1.688000 
1 1 1  -14   26   18 o   2.1130   0.6972   1.9670   0.9575   2.2580   1.0140 -0.2902000 1.394000 
1 1 1  -14   26   19 o   2.5010   0.7938   2.2180   1.0500   2.7850   1.1910 -0.5668000 1.588000 
1 1 1  -14   28    1 o   2.4920   0.7845   2.6530   1.1760   2.3320   1.0390 0.3215000 1.569000 
1 1 1  -14   28    2 o   4.1410   0.8881   4.3280   1.3380   3.9540   1.1690 0.3739000 1.776000 
1 1 1  -14   28    3 o   3.2470   0.7647   2.2040   1.0440   4.2890   1.1180 -2.085000 1.529000 
1 1 1  -14   28    4 o   2.7220   0.7816   2.5860   1.0890   2.8570   1.1210 -0.2709000 1.563000 
1 1 1  -14   28    5 o   4.3990   0.7903   4.3170   1.1460   4.4810   1.0890 -0.1647000 1.581000 
1 1 1  -14   28    6 o   9.6980   0.3896   10.340   0.5233   9.0590   0.5774 1.278000 0.7792000 
1 1 1  -14   28    7 o   2.9440   0.8332   2.9470   1.2200   2.9410   1.1350 0.5338000E-02 1.666000 
1 1 1  -14   28    8 o   3.3070   0.8271   2.7410   1.1850   3.8730   1.1540 -1.132000 1.654000 
1 1 1  -14   28    9 o   2.8580   0.7920   2.5240   1.1400   3.1910   1.1000 -0.6669000 1.584000 
1 1 1  -14   28   10 o   2.8930   0.7078   1.9810   0.9376   3.8060   1.0610 -1.824000 1.416000 
1 1 1  -14   28   11 o   3.6240   0.7911   4.0430   1.1550   3.2040   1.0810 0.8396000 1.582000 
1 1 1  -14   28   12 o   6.0850   0.7113   5.2260   1.2270   6.9440   0.7201 -1.719000 1.423000 
1 1 1  -14   28   13 f   3.2080   0.8461   2.8760   1.2210   3.5400   1.1720 -0.6644000 1.692000 
1 1 1  -14   28   14 o   1.9020   0.6311   1.7940   0.8662   2.0090   0.9180 -0.2151000 1.262000 
1 1 1  -14   28   15 o   2.0180   0.6563   1.8190   0.8756   2.2170   0.9779 -0.3983000 1.313000 
1 1 1  -14   30    1 o   5.3210   0.6989   5.5570   0.9672   5.0860   1.0090 0.4715000 1.398000 
1 1 1  -14   30    2 o   2.8850   0.8015   3.2950   1.2010   2.4760   1.0620 0.8191000 1.603000 
1 1 1  -14   30    3 o   3.8070   0.8376   4.0350   1.2100   3.5800   1.1580 0.4550000 1.675000 
1 1 1  -14   30    4 o   3.0670   0.8154   3.4640   1.2040   2.6700   1.1000 0.7938000 1.631000 
1 1 1  -14   30    5 o   3.5770   0.8360   3.9690   1.2090   3.1850   1.1550 0.7846000 1.672000 
1 1 1  -14   30    6 o   3.3960   0.7901   2.9270   1.1570   3.8650   1.0760 -0.9376000 1.580000 
1 1 1  -14   30    7 o   3.5470   0.7037   2.4080   1.0590   4.6850   0.9275 -2.277000 1.407000 
1 1 1  -14   30    8 o   4.1510   0.7495   3.3270   1.2040   4.9740   0.8932 -1.647000 1.499000 
1 1 1  -14   30    9 o   2.7530   0.8799   2.7660   1.2970   2.7400   1.1900 0.2602000E-01 1.760000 
1 1 1  -13    1    1 o   33.710   0.2198   33.680   0.3406   33.740   0.2780 -0.6557000E-01 0.4396000 
1 1 1  -13    1    2 o   38.780   0.2764   38.750   0.3904   38.820   0.3913 -0.6788000E-01 0.5527000 
1 1 1  -13    1    3 o   48.920   0.3159   48.700   0.4876   49.150   0.4018 -0.4570000 0.6318000 
1 1 1  -13    1    4 o   47.180   0.2550   47.340   0.3349   47.030   0.3845 0.3160000 0.5099000 
1 1 1  -13    1    5 o   49.710   0.2491   49.550   0.3511   49.880   0.3533 -0.3275000 0.4981000 
1 1 1  -13    1    6 o   80.450   0.5667   80.400   0.8008   80.510   0.8019 -0.1103000 1.133000 
1 1 1  -13    1    7 o   32.410   0.1951   32.550   0.2766   32.280   0.2752 0.2631000 0.3902000 
1 1 1  -13    1    8 o   36.940   0.1911   37.020   0.2706   36.860   0.2698 0.1604000 0.3822000 
1 1 1  -13    1    9 o   17.840   0.1185   18.010   0.1684   17.670   0.1667 0.3469000 0.2370000 
1 1 1  -13    1   10 o   20.750   0.1302   20.880   0.1849   20.620   0.1833 0.2591000 0.2604000 
1 1 1  -13    1   11 o   22.340   0.1961   22.100   0.2767   22.570   0.2779 -0.4720000 0.3922000 
1 1 1  -13    1   12 o   40.310   0.2123   40.420   0.3011   40.190   0.2993 0.2252000 0.4246000 
1 1 1  -13    1   13 o   40.080   0.2126   39.980   0.3002   40.180   0.3012 -0.2002000 0.4253000 
1 1 1  -13    1   14 o   23.170   0.1519   23.320   0.2156   23.010   0.2142 0.3166000 0.3039000 
1 1 1  -13    1   15 o   18.720   0.1528   18.240   0.2164   19.200   0.2159 -0.9603000 0.3057000 
1 1 1  -13    1   16 o   35.470   0.2008   35.720   0.2854   35.220   0.2826 0.5014000 0.4017000 
1 1 1  -13    1   17 o   22.550   0.1822   22.530   0.2388   22.560   0.2753 -0.3506000E-01 0.3644000 
1 1 1  -13    1   18 o   5.2980   0.4427   5.4310   0.6096   5.1660   0.6421 0.2650000 0.8854000 
1 1 1  -13    1   19 o   35.730   0.2941   35.670   0.4138   35.800   0.4179 -0.1357000 0.5881000 
1 1 1  -13    1   20 o   4.7900   0.6553   4.4650   0.9812   5.1140   0.8688 -0.6493000 1.311000 
1 1 1  -13    1   21 o   39.410   0.2255   39.280   0.3181   39.540   0.3199 -0.2571000 0.4511000 
1 1 1  -13    1   22 o   18.050   0.1921   18.200   0.2715   17.900   0.2717 0.3030000 0.3841000 
1 1 1  -13    1   23 o   13.450   0.2203   13.850   0.3090   13.040   0.3141 0.8165000 0.4406000 
1 1 1  -13    1   24 o   12.790   0.3994   13.110   0.4640   12.480   0.6503 0.6328000 0.7988000 
1 1 1  -13    1   25 o   7.9670   0.3557   7.7940   0.4763   8.1390   0.5285 -0.3450000 0.7115000 
1 1 1  -13    1   26 o   8.0330   0.3527   7.9850   0.4632   8.0800   0.5319 -0.9504000E-01 0.7053000 
1 1 1  -13    1   27 o   8.7710   0.3285   8.4640   0.4449   9.0780   0.4833 -0.6139000 0.6569000 
1 1 1  -13    1   28 o   17.830   0.2188   17.610   0.2888   18.050   0.3288 -0.4394000 0.4376000 
1 1 1  -13    1   29 o   13.020   0.2570   12.560   0.3490   13.470   0.3774 -0.9189000 0.5141000 
1 1 1  -13    1   30 o   2.3480   0.7003   2.2680   0.9636   2.4280   1.0170 -0.1610000 1.401000 
1 1 1  -13    1   31 o   6.0460   0.7920   5.6680   1.3030   6.4240   0.9008 -0.7559000 1.584000 
1 1 1  -13    1   32 o   3.2940   0.8756   3.1810   1.2360   3.4080   1.2410 -0.2268000 1.751000 
1 1 1  -13    1   33 o   6.2700   0.7811   7.4320   0.5830   5.1080   1.4490 2.324000 1.562000 
1 1 1  -13    1   34 o   3.1340   0.8380   2.9750   1.1240   3.2920   1.2430 -0.3166000 1.676000 
1 1 1  -13    3    1 o   23.790   0.1772   23.920   0.2518   23.660   0.2495 0.2618000 0.3545000 
1 1 1  -13    3    2 o   62.040   0.3577   62.200   0.5072   61.880   0.5046 0.3215000 0.7155000 
1 1 1  -13    3    3 o   59.790   0.3863   59.980   0.6001   59.590   0.4865 0.3866000 0.7725000 
1 1 1  -13    3    4 o   79.420   0.5599   79.770   0.7953   79.070   0.7885 0.6920000 1.120000 
1 1 1  -13    3    5 o   42.670   0.2511   42.460   0.3535   42.870   0.3567 -0.4082000 0.5022000 
1 1 1  -13    3    6 o   27.190   0.1912   27.180   0.2962   27.200   0.2417 -0.1882000E-01 0.3823000 
1 1 1  -13    3    7 o   45.180   0.2665   45.100   0.3764   45.260   0.3775 -0.1614000 0.5331000 
1 1 1  -13    3    8 o   29.920   0.1883   29.770   0.2650   30.080   0.2674 -0.3059000 0.3765000 
1 1 1  -13    3    9 f   20.140   0.1664   19.730   0.2547   20.550   0.2141 -0.8197000 0.3327000 
1 1 1  -13    3   10 o   53.330   0.3515   53.460   0.4455   53.200   0.5438 0.2645000 0.7030000 
1 1 1  -13    3   11 o   25.800   0.1974   25.490   0.2485   26.100   0.3068 -0.6103000 0.3948000 
1 1 1  -13    3   12 f   14.320   0.1621   13.970   0.2315   14.670   0.2270 -0.7080000 0.3242000 
1 1 1  -13    3   13 o   12.940   0.1638   13.280   0.2124   12.590   0.2495 0.6961000 0.3277000 
1 1 1  -13    3   14 o   46.290   0.2628   46.360   0.3443   46.220   0.3972 0.1366000 0.5257000 
1 1 1  -13    3   15 o   43.170   0.2494   43.210   0.3267   43.130   0.3769 0.7976000E-01 0.4988000 
1 1 1  -13    3   16 o   24.400   0.2083   23.570   0.2371   25.220   0.3425 -1.650000 0.4165000 
1 1 1  -13    3   17 o   11.780   0.2287   11.550   0.3016   12.000   0.3440 -0.4568000 0.4575000 
1 1 1  -13    3   18 o   22.340   0.2039   22.550   0.2889   22.120   0.2879 0.4331000 0.4078000 
1 1 1  -13    3   19 o   7.8670   0.4825   7.8640   0.6689   7.8690   0.6956 -0.4933000E-02 0.9650000 
1 1 1  -13    3   20 o   26.390   0.2167   26.430   0.3060   26.350   0.3069 0.7922000E-01 0.4334000 
1 1 1  -13    3   21 o   22.960   0.1986   22.750   0.2611   23.180   0.2994 -0.4286000 0.3972000 
1 1 1  -13    3   22 o   10.510   0.2765   10.580   0.3629   10.450   0.4173 0.1293000 0.5531000 
1 1 1  -13    3   23 o   19.830   0.2400   19.640   0.3123   20.020   0.3644 -0.3747000 0.4799000 
1 1 1  -13    3   24 o   11.680   0.4023   11.830   0.5012   11.540   0.6293 0.2865000 0.8045000 
1 1 1  -13    3   25 o   15.170   0.2264   15.150   0.2963   15.190   0.3423 -0.4429000E-01 0.4527000 
1 1 1  -13    3   26 f   5.7470   0.4910   5.8070   0.6477   5.6870   0.7381 0.1196000 0.9820000 
1 1 1  -13    3   27 o   6.1000   0.4681   6.1920   0.6196   6.0080   0.7019 0.1836000 0.9362000 
1 1 1  -13    3   28 o   10.500   0.2951   10.610   0.3867   10.400   0.4459 0.2105000 0.5902000 
1 1 1  -13    3   29 o   3.1800   0.7077   2.2870   0.9682   4.0730   1.0320 -1.786000 1.415000 
1 1 1  -13    3   30 o   7.3510   0.5291   6.2980   0.9022   8.4050   0.5529 -2.107000 1.058000 
1 1 1  -13    3   31 o   4.6280   0.9406   5.3440   1.3900   3.9120   1.2680 1.432000 1.881000 
1 1 1  -13    3   32 o   2.3230   0.7020   1.9840   0.9037   2.6620   1.0750 -0.6778000 1.404000 
1 1 1  -13    3   33 o   2.1610   0.6799   2.2690   0.9775   2.0520   0.9454 0.2174000 1.360000 
1 1 1  -13    3   34 o   1.8160   0.6364   1.6010   0.7810   2.0310   1.0050 -0.4308000 1.273000 
1 1 1  -13    5    1 f   44.870   0.2661   45.190   0.3789   44.540   0.3738 0.6479000 0.5323000 
1 1 1  -13    5    2 o   23.170   0.1579   23.090   0.2223   23.240   0.2243 -0.1540000 0.3158000 
1 1 1  -13    5    3 o   30.350   0.1901   30.680   0.2708   30.020   0.2668 0.6592000 0.3801000 
1 1 1  -13    5    4 o   22.850   0.1761   22.900   0.2737   22.800   0.2217 0.9688000E-01 0.3522000 
1 1 1  -13    5    5 o   50.710   0.2986   50.640   0.4218   50.780   0.4227 -0.1390000 0.5972000 
1 1 1  -13    5    6 o   53.320   0.3135   53.250   0.4426   53.390   0.4441 -0.1397000 0.6270000 
1 1 1  -13    5    7 o   36.890   0.2259   36.870   0.3193   36.910   0.3195 -0.4162000E-01 0.4517000 
1 1 1  -13    5    8 o   7.8440   0.2613   8.0820   0.3761   7.6070   0.3628 0.4750000 0.5226000 
1 1 1  -13    5    9 o   30.130   0.2400   30.530   0.3449   29.730   0.3337 0.8018000 0.4799000 
1 1 1  -13    5   10 o   45.460   0.3363   45.630   0.4773   45.290   0.4739 0.3445000 0.6726000 
1 1 1  -13    5   11 o   12.090   0.1973   12.280   0.2522   11.900   0.3034 0.3830000 0.3946000 
1 1 1  -13    5   12 o   28.440   0.1948   28.440   0.2766   28.450   0.2744 -0.1079000E-01 0.3896000 
1 1 1  -13    5   13 o   20.370   0.1993   20.820   0.3125   19.910   0.2474 0.9092000 0.3986000 
1 1 1  -13    5   14 o   20.900   0.1819   21.010   0.2597   20.780   0.2549 0.2243000 0.3639000 
1 1 1  -13    5   15 o   36.480   0.2384   36.590   0.3380   36.360   0.3362 0.2226000 0.4767000 
1 1 1  -13    5   16 o   43.590   0.2556   43.590   0.3345   43.600   0.3865 -0.1691000E-01 0.5111000 
1 1 1  -13    5   17 o   4.1560   0.6147   3.6620   0.8944   4.6500   0.8436 -0.9875000 1.229000 
1 1 1  -13    5   18 o   3.0520   0.7867   3.2780   1.0760   2.8260   1.1480 0.4520000 1.573000 
1 1 1  -13    5   19 o   21.440   0.2179   21.270   0.3067   21.600   0.3097 -0.3268000 0.4358000 
1 1 1  -13    5   20 o   10.980   0.2788   12.110   0.3400   9.8560   0.4419 2.250000 0.5575000 
1 1 1  -13    5   21 o   44.910   0.2686   44.840   0.3519   44.970   0.4060 -0.1304000 0.5373000 
1 1 1  -13    5   22 o   12.460   0.2456   12.260   0.3270   12.660   0.3665 -0.3954000 0.4912000 
1 1 1  -13    5   23 o   3.4570   0.7823   3.7580   1.0830   3.1560   1.1290 0.6023000 1.565000 
1 1 1  -13    5   24 o   12.890   0.2890   12.650   0.3807   13.120   0.4350 -0.4649000 0.5781000 
1 1 1  -13    5   25 o   4.8210   0.6021   5.3210   0.7085   4.3210   0.9738 1.000000 1.204000 
1 1 1  -13    5   26 o   8.9710   0.3247   9.0720   0.4267   8.8710   0.4895 0.2007000 0.6494000 
1 1 1  -13    5   27 o   8.7980   0.3370   8.9960   0.4449   8.6010   0.5062 0.3952000 0.6739000 
1 1 1  -13    5   28 o   9.3280   0.3764   9.1940   0.5768   9.4630   0.4836 -0.2690000 0.7527000 
1 1 1  -13    5   29 o   7.0300   0.4928   7.3620   0.7220   6.6980   0.6711 0.6649000 0.9857000 
1 1 1  -13    5   30 o   12.790   0.3009   13.290   0.4039   12.280   0.4461 1.013000 0.6018000 
1 1 1  -13    5   31 o   9.7930   0.3577   9.8990   0.4962   9.6880   0.5154 0.2112000 0.7154000 
1 1 1  -13    5   32 o   2.1160   0.6686   1.7680   0.8370   2.4650   1.0430 -0.6971000 1.337000 
1 1 1  -13    5   33 o   3.1600   0.7287   3.9740   1.0410   2.3470   1.0200 1.626000 1.457000 
1 1 1  -13    5   34 o   2.2180   1.1060   2.2180   1.1060  ?   ?       ?      ? 
1 1 1  -13    7    1 o   14.560   0.1475   14.560   0.2082   14.570   0.2090 -0.1468000E-01 0.2950000 
1 1 1  -13    7    2 o   19.230   0.1439   19.160   0.1908   19.300   0.2156 -0.1438000 0.2879000 
1 1 1  -13    7    3 o   22.120   0.1605   22.440   0.2298   21.790   0.2242 0.6576000 0.3211000 
1 1 1  -13    7    4 o   40.190   0.2729   39.990   0.4221   40.380   0.3461 -0.3869000 0.5459000 
1 1 1  -13    7    5 o   33.800   0.2379   33.770   0.3691   33.840   0.3002 -0.6670000E-01 0.4757000 
1 1 1  -13    7    6 o   27.240   0.2263   27.200   0.3207   27.290   0.3194 -0.8784000E-01 0.4526000 
1 1 1  -13    7    7 o   15.880   0.1629   15.860   0.2306   15.910   0.2303 -0.4579000E-01 0.3259000 
1 1 1  -13    7    8 o   19.370   0.1696   19.360   0.2347   19.370   0.2449 -0.4665000E-02 0.3392000 
1 1 1  -13    7    9 o   32.910   0.2392   32.870   0.3023   32.950   0.3708 -0.8829000E-01 0.4784000 
1 1 1  -13    7   10 o   37.430   0.2364   37.390   0.3343   37.470   0.3344 -0.7825000E-01 0.4728000 
1 1 1  -13    7   11 o   15.910   0.1792   15.940   0.2576   15.880   0.2492 0.6798000E-01 0.3584000 
1 1 1  -13    7   12 o   12.940   0.2031   12.740   0.2932   13.140   0.2813 -0.3949000 0.4063000 
1 1 1  -13    7   13 o   29.330   0.2077   29.660   0.2956   29.000   0.2919 0.6533000 0.4155000 
1 1 1  -13    7   14 o   13.260   0.2242   13.220   0.3209   13.300   0.3133 -0.8576000E-01 0.4485000 
1 1 1  -13    7   15 o   45.460   0.3191   46.040   0.4996   44.880   0.3970 1.165000 0.6381000 
1 1 1  -13    7   16 f   12.240   0.2501   12.460   0.3558   12.020   0.3515 0.4410000 0.5002000 
1 1 1  -13    7   17 f   13.150   0.3161   12.810   0.4601   13.500   0.4337 -0.6940000 0.6323000 
1 1 1  -13    7   18 o   4.1800   0.7662   3.3520   1.2300   5.0070   0.9146 -1.655000 1.532000 
1 1 1  -13    7   19 o   29.900   0.2786   29.600   0.3922   30.200   0.3958 -0.6037000 0.5572000 
1 1 1  -13    7   20 o   24.770   0.2188   24.950   0.3138   24.590   0.3051 0.3571000 0.4377000 
1 1 1  -13    7   21 o   16.500   0.2157   16.810   0.2849   16.190   0.3241 0.6185000 0.4315000 
1 1 1  -13    7   22 o   26.190   0.2460   26.190   0.3168   26.200   0.3764 -0.1563000E-01 0.4920000 
1 1 1  -13    7   23 o   4.8230   0.6687   4.9910   0.8624   4.6550   1.0220 0.3367000 1.337000 
1 1 1  -13    7   24 o   11.970   0.2618   12.150   0.3448   11.800   0.3941 0.3447000 0.5237000 
1 1 1  -13    7   25 o   6.4980   0.4322   6.0960   0.6162   6.9000   0.6063 -0.8037000 0.8644000 
1 1 1  -13    7   26 o   10.910   0.3010   10.380   0.4519   11.430   0.3977 -1.042000 0.6020000 
1 1 1  -13    7   27 o   8.0670   0.4246   8.5420   0.6318   7.5930   0.5675 0.9491000 0.8492000 
1 1 1  -13    7   28 o   4.1140   0.7211   4.5130   0.9911   3.7150   1.0480 0.7983000 1.442000 
1 1 1  -13    7   29 o   7.8250   0.3873   8.0380   0.5116   7.6130   0.5817 0.4255000 0.7746000 
1 1 1  -13    7   30 o   9.8600   0.4121   10.230   0.4980   9.4900   0.6567 0.7398000 0.8241000 
1 1 1  -13    7   31 o   1.9220   0.6377   2.0400   0.9431   1.8040   0.8588 0.2359000 1.275000 
1 1 1  -13    7   32 o   2.8340   0.7078   3.6530   1.0650   2.0140   0.9328 1.639000 1.416000 
1 1 1  -13    7   33 o   4.2850   0.7241   4.8960   0.8897   3.6740   1.1430 1.222000 1.448000 
1 1 1  -13    9    1 o   8.9680   0.2266   8.5350   0.3283   9.4010   0.3126 -0.8663000 0.4533000 
1 1 1  -13    9    2 o   13.370   0.1761   13.780   0.2466   12.960   0.2514 0.8244000 0.3522000 
1 1 1  -13    9    3 o   7.7690   0.2457   7.4050   0.3609   8.1330   0.3334 -0.7276000 0.4913000 
1 1 1  -13    9    4 o   15.960   0.1705   16.230   0.2396   15.680   0.2427 0.5488000 0.3410000 
1 1 1  -13    9    5 o   14.600   0.1976   14.710   0.2468   14.490   0.3087 0.2192000 0.3952000 
1 1 1  -13    9    6 o   57.750   0.3435   57.400   0.4833   58.110   0.4884 -0.7046000 0.6871000 
1 1 1  -13    9    7 o   12.780   0.1931   13.070   0.2678   12.480   0.2784 0.5887000 0.3862000 
1 1 1  -13    9    8 o   14.540   0.1866   14.520   0.2653   14.570   0.2625 -0.5115000E-01 0.3732000 
1 1 1  -13    9    9 o   6.7070   0.3323   6.0840   0.4976   7.3300   0.4406 -1.246000 0.6647000 
1 1 1  -13    9   10 o   51.740   0.3137   51.680   0.4427   51.800   0.4446 -0.1168000 0.6274000 
1 1 1  -13    9   11 o   48.390   0.2967   48.360   0.4193   48.410   0.4199 -0.4904000E-01 0.5934000 
1 1 1  -13    9   12 o   75.510   0.4443   75.610   0.6293   75.410   0.6273 0.1993000 0.8885000 
1 1 1  -13    9   13 o   2.6370   0.7066   2.5820   0.9932   2.6910   1.0050 -0.1092000 1.413000 
1 1 1  -13    9   14 o   20.990   0.2046   20.660   0.2930   21.320   0.2857 -0.6577000 0.4092000 
1 1 1  -13    9   15 o   40.360   0.3245   40.470   0.4631   40.240   0.4545 0.2267000 0.6489000 
1 1 1  -13    9   16 o   39.800   0.3242   40.080   0.4650   39.520   0.4518 0.5617000 0.6484000 
1 1 1  -13    9   17 o   9.4620   0.3867   10.070   0.5801   8.8500   0.5114 1.224000 0.7733000 
1 1 1  -13    9   18 o   20.990   0.2462   21.160   0.3815   20.810   0.3113 0.3457000 0.4924000 
1 1 1  -13    9   19 o   2.5460   0.7198   3.0330   1.0960   2.0590   0.9328 0.9739000 1.440000 
1 1 1  -13    9   20 o   34.830   0.2467   34.620   0.3486   35.040   0.3491 -0.4213000 0.4933000 
1 1 1  -13    9   21 o   19.110   0.2773   19.080   0.4064   19.140   0.3774 -0.6407000E-01 0.5546000 
1 1 1  -13    9   22 o   23.360   0.2451   23.530   0.3172   23.180   0.3736 0.3528000 0.4902000 
1 1 1  -13    9   23 o   15.930   0.2655   16.020   0.3484   15.840   0.4007 0.1796000 0.5310000 
1 1 1  -13    9   24 o   22.140   0.2125   21.650   0.2845   22.630   0.3158 -0.9816000 0.4251000 
1 1 1  -13    9   25 o   19.780   0.2520   20.110   0.3894   19.450   0.3201 0.6602000 0.5041000 
1 1 1  -13    9   26 o   8.4010   0.4014   8.3700   0.6180   8.4330   0.5124 -0.6325000E-01 0.8028000 
1 1 1  -13    9   27 o   5.3650   0.5470   4.6520   0.8493   6.0790   0.6896 -1.427000 1.094000 
1 1 1  -13    9   28 f   13.860   0.2524   14.500   0.3273   13.220   0.3843 1.273000 0.5048000 
1 1 1  -13    9   29 o   2.4420   0.7241   3.0060   1.1250   1.8780   0.9113 1.128000 1.448000 
1 1 1  -13    9   30 o   3.2500   0.7833   3.7340   1.1320   2.7650   1.0830 0.9694000 1.567000 
1 1 1  -13    9   31 o   2.0870   0.6652   2.0350   0.9196   2.1390   0.9614 -0.1042000 1.330000 
1 1 1  -13    9   32 o   3.2260   0.7782   2.8210   1.0740   3.6310   1.1270 -0.8096000 1.556000 
1 1 1  -13    9   33 o   5.0210   1.2710   5.0210   1.2710  ?   ?       ?      ? 
1 1 1  -13   11    1 o   35.180   0.1991   35.160   0.2807   35.210   0.2825 -0.5584000E-01 0.3982000 
1 1 1  -13   11    2 o   14.930   0.1785   15.100   0.2304   14.750   0.2728 0.3533000 0.3571000 
1 1 1  -13   11    3 o   33.610   0.1936   33.500   0.2727   33.720   0.2748 -0.2235000 0.3872000 
1 1 1  -13   11    4 o   36.790   0.2062   36.450   0.2894   37.120   0.2937 -0.6692000 0.4123000 
1 1 1  -13   11    5 o   39.470   0.2689   39.900   0.4423   39.030   0.3059 0.8684000 0.5378000 
1 1 1  -13   11    6 o   18.290   0.1778   18.750   0.2680   17.830   0.2338 0.9113000 0.3557000 
1 1 1  -13   11    7 o   8.8230   0.2837   9.1130   0.4030   8.5330   0.3996 0.5799000 0.5675000 
1 1 1  -13   11    8 o   43.070   0.2535   42.970   0.3827   43.160   0.3325 -0.1932000 0.5070000 
1 1 1  -13   11    9 o   49.320   0.3033   49.530   0.4309   49.110   0.4270 0.4241000 0.6066000 
1 1 1  -13   11   10 o   55.330   0.3356   55.040   0.4722   55.630   0.4772 -0.5968000 0.6713000 
1 1 1  -13   11   11 o   46.350   0.2913   46.590   0.4128   46.110   0.4111 0.4831000 0.5825000 
1 1 1  -13   11   12 o   50.740   0.3134   50.880   0.4442   50.600   0.4421 0.2839000 0.6267000 
1 1 1  -13   11   13 o   16.280   0.2787   16.410   0.3961   16.150   0.3922 0.2600000 0.5574000 
1 1 1  -13   11   14 o   32.000   0.2874   32.500   0.4110   31.500   0.4019 0.9934000 0.5748000 
1 1 1  -13   11   15 o   12.280   0.2870   11.940   0.4238   12.620   0.3872 -0.6796000 0.5741000 
1 1 1  -13   11   16 o   28.090   0.2514   27.650   0.3860   28.530   0.3222 -0.8843000 0.5028000 
1 1 1  -13   11   17 o   16.700   0.2361   16.920   0.3365   16.480   0.3312 0.4438000 0.4722000 
1 1 1  -13   11   18 o   24.130   0.2227   24.240   0.3208   24.010   0.3089 0.2271000 0.4454000 
1 1 1  -13   11   19 o   20.540   0.2838   20.780   0.4198   20.310   0.3820 0.4750000 0.5676000 
1 1 1  -13   11   20 o   12.740   0.3443   13.250   0.5134   12.230   0.4590 1.026000 0.6886000 
1 1 1  -13   11   21 o   2.9510   0.8060   2.6660   1.1140   3.2350   1.1650 -0.5690000 1.612000 
1 1 1  -13   11   22 o   4.3040   0.6935   2.6500   1.0700   5.9580   0.8819 -3.308000 1.387000 
1 1 1  -13   11   23 o   6.2870   0.5247   6.3340   0.8011   6.2410   0.6778 0.9224000E-01 1.049000 
1 1 1  -13   11   24 o   6.7480   0.4885   7.0170   0.7280   6.4790   0.6516 0.5383000 0.9770000 
1 1 1  -13   11   25 o   5.9100   0.5293   5.7000   0.7899   6.1190   0.7049 -0.4195000 1.059000 
1 1 1  -13   11   26 o   6.1330   0.5222   5.5400   0.8195   6.7250   0.6476 -1.185000 1.044000 
1 1 1  -13   11   27 o   4.7530   0.6641   4.8580   0.9303   4.6490   0.9478 0.2097000 1.328000 
1 1 1  -13   11   28 o   3.4330   0.8489   3.2690   1.1250   3.5960   1.2720 -0.3277000 1.698000 
1 1 1  -13   11   29 o   6.0740   0.5129   6.1690   0.6698   5.9790   0.7771 0.1902000 1.026000 
1 1 1  -13   11   30 o   4.6470   0.7178   4.2940   1.1000   4.9990   0.9220 -0.7051000 1.436000 
1 1 1  -13   11   31 o   3.9500   0.7457   4.2530   0.9806   3.6470   1.1240 0.6062000 1.491000 
1 1 1  -13   11   32 o   2.6730   0.7990   2.6590   1.1190   2.6880   1.1410 -0.2808000E-01 1.598000 
1 1 1  -13   13    1 o   19.080   0.1714   19.390   0.2426   18.780   0.2422 0.6110000 0.3427000 
1 1 1  -13   13    2 o   3.1260   0.6252   3.6060   0.8349   2.6470   0.9308 0.9588000 1.250000 
1 1 1  -13   13    3 o   44.010   0.2405   43.830   0.3386   44.200   0.3416 -0.3721000 0.4809000 
1 1 1  -13   13    4 o   20.500   0.1717   20.530   0.2398   20.470   0.2457 0.5474000E-01 0.3433000 
1 1 1  -13   13    5 o   46.370   0.2507   46.160   0.3528   46.570   0.3562 -0.4047000 0.5013000 
1 1 1  -13   13    6 o   16.790   0.2212   16.510   0.3603   17.070   0.2567 -0.5611000 0.4424000 
1 1 1  -13   13    7 o   30.170   0.2075   30.540   0.3157   29.790   0.2694 0.7521000 0.4150000 
1 1 1  -13   13    8 o   45.740   0.2702   45.800   0.4093   45.680   0.3530 0.1195000 0.5405000 
1 1 1  -13   13    9 o   40.910   0.2492   41.050   0.3780   40.780   0.3248 0.2715000 0.4984000 
1 1 1  -13   13   10 o   40.050   0.3237   40.060   0.4578   40.040   0.4578 0.1987000E-01 0.6474000 
1 1 1  -13   13   11 f   38.660   0.3179   38.860   0.4527   38.460   0.4466 0.3977000 0.6359000 
1 1 1  -13   13   12 o   22.850   0.2217   22.800   0.3121   22.900   0.3148 -0.1050000 0.4433000 
1 1 1  -13   13   13 o   53.700   0.3338   53.690   0.4720   53.720   0.4720 -0.3001000E-01 0.6675000 
1 1 1  -13   13   14 o   31.250   0.2630   31.070   0.4052   31.440   0.3353 -0.3704000 0.5260000 
1 1 1  -13   13   15 o   25.500   0.2246   25.380   0.3199   25.620   0.3154 -0.2410000 0.4492000 
1 1 1  -13   13   16 o   29.740   0.2336   30.130   0.3332   29.360   0.3274 0.7646000 0.4671000 
1 1 1  -13   13   17 o   24.330   0.2765   23.770   0.3980   24.900   0.3838 -1.126000 0.5529000 
1 1 1  -13   13   18 o   29.530   0.2871   29.790   0.4142   29.270   0.3978 0.5259000 0.5743000 
1 1 1  -13   13   19 o   10.240   0.3228   9.9680   0.4686   10.520   0.4440 -0.5524000 0.6455000 
1 1 1  -13   13   20 o   24.350   0.2519   24.340   0.3270   24.350   0.3833 -0.6824000E-02 0.5039000 
1 1 1  -13   13   21 o   19.840   0.2531   19.990   0.3868   19.700   0.3266 0.2987000 0.5062000 
1 1 1  -13   13   22 o   18.220   0.2596   18.200   0.3981   18.230   0.3332 -0.3837000E-01 0.5192000 
1 1 1  -13   13   23 o   7.7370   0.4196   7.8270   0.5961   7.6480   0.5907 0.1789000 0.8392000 
1 1 1  -13   13   24 o   4.0550   0.7514   3.9980   1.1030   4.1130   1.0210 -0.1149000 1.503000 
1 1 1  -13   13   25 o   14.330   0.2731   14.430   0.3972   14.240   0.3749 0.1871000 0.5461000 
1 1 1  -13   13   26 o   6.1990   0.5386   6.3260   0.7635   6.0730   0.7600 0.2525000 1.077000 
1 1 1  -13   13   27 o   8.7210   0.5027   8.8260   0.7034   8.6160   0.7184 0.2096000 1.005000 
1 1 1  -13   13   28 o   6.3670   0.5291   6.5620   0.7467   6.1710   0.7498 0.3905000 1.058000 
1 1 1  -13   13   29 o   2.1020   0.6742   1.7080   0.8460   2.4960   1.0500 -0.7876000 1.348000 
1 1 1  -13   13   30 o   2.0900   0.6778   2.3690   1.0420   1.8120   0.8669 0.5570000 1.356000 
1 1 1  -13   13   31 o   2.1120   0.6932   1.7360   0.8537   2.4890   1.0920 -0.7524000 1.386000 
1 1 1  -13   15    1 o   33.790   0.2371   33.920   0.3330   33.670   0.3375 0.2513000 0.4741000 
1 1 1  -13   15    2 f   15.670   0.2253   15.810   0.3095   15.540   0.3275 0.2641000 0.4506000 
1 1 1  -13   15    3 o   21.040   0.2093   20.850   0.2906   21.240   0.3014 -0.3886000 0.4187000 
1 1 1  -13   15    4 o   35.630   0.2443   35.780   0.3443   35.490   0.3468 0.2888000 0.4887000 
1 1 1  -13   15    5 f   54.520   0.3347   54.330   0.4706   54.720   0.4759 -0.3857000 0.6693000 
1 1 1  -13   15    6 o   19.520   0.2430   19.170   0.3740   19.870   0.3105 -0.6980000 0.4861000 
1 1 1  -13   15    7 o   35.770   0.2334   35.780   0.3534   35.770   0.3048 0.1158000E-01 0.4667000 
1 1 1  -13   15    8 o   21.020   0.2089   20.760   0.3196   21.280   0.2690 -0.5233000 0.4178000 
1 1 1  -13   15    9 o   34.440   0.2316   34.370   0.3514   34.500   0.3019 -0.1294000 0.4633000 
1 1 1  -13   15   10 o   29.270   0.2588   29.560   0.4016   28.990   0.3265 0.5699000 0.5175000 
1 1 1  -13   15   11 o   5.0100   0.7260   4.2040   1.2140   5.8160   0.7964 -1.612000 1.452000 
1 1 1  -13   15   12 o   20.270   0.2519   20.220   0.3882   20.320   0.3212 -0.1001000 0.5039000 
1 1 1  -13   15   13 o   53.980   0.3367   53.810   0.4750   54.140   0.4774 -0.3281000 0.6734000 
1 1 1  -13   15   14 o   13.390   0.2845   13.700   0.3774   13.090   0.4258 0.6069000 0.5690000 
1 1 1  -13   15   15 o   13.360   0.3465   13.420   0.4855   13.290   0.4945 0.1300000 0.6930000 
1 1 1  -13   15   16 o   7.4790   0.5460   8.3140   0.7040   6.6430   0.8348 1.671000 1.092000 
1 1 1  -13   15   17 o   14.740   0.2629   15.170   0.3688   14.320   0.3749 0.8576000 0.5259000 
1 1 1  -13   15   18 o   10.690   0.3530   10.770   0.4496   10.600   0.5443 0.1711000 0.7060000 
1 1 1  -13   15   19 o   14.990   0.3056   15.010   0.4228   14.980   0.4413 0.2586000E-01 0.6112000 
1 1 1  -13   15   20 o   17.440   0.2648   17.190   0.4044   17.690   0.3420 -0.5048000 0.5296000 
1 1 1  -13   15   21 o   8.5190   0.3877   8.6850   0.5439   8.3530   0.5526 0.3315000 0.7754000 
1 1 1  -13   15   22 o   8.7750   0.3753   8.8410   0.5294   8.7100   0.5322 0.1311000 0.7507000 
1 1 1  -13   15   23 o   8.0900   0.4108   8.7080   0.5504   7.4720   0.6099 1.236000 0.8215000 
1 1 1  -13   15   24 o   11.390   0.3156   11.540   0.4505   11.240   0.4420 0.3016000 0.6311000 
1 1 1  -13   15   25 o   15.270   0.3404   15.790   0.4677   14.740   0.4946 1.046000 0.6807000 
1 1 1  -13   15   26 f   5.3460   0.6444   6.0920   0.8027   4.6010   1.0080 1.491000 1.289000 
1 1 1  -13   15   27 o   7.0580   0.4849   6.8610   0.7344   7.2560   0.6335 -0.3952000 0.9699000 
1 1 1  -13   15   28 f   8.3250   0.4693   8.2270   0.7383   8.4230   0.5794 -0.1952000 0.9385000 
1 1 1  -13   15   29 o   4.0870   0.8006   4.2330   1.1560   3.9420   1.1080 0.2909000 1.601000 
1 1 1  -13   15   30 o   2.4440   0.7799   2.2320   1.0690   2.6560   1.1360 -0.4243000 1.560000 
1 1 1  -13   17    1 o   25.080   0.2298   25.060   0.3221   25.100   0.3278 -0.4303000E-01 0.4595000 
1 1 1  -13   17    2 o   16.210   0.2498   16.140   0.3481   16.280   0.3585 -0.1402000 0.4997000 
1 1 1  -13   17    3 f   15.810   0.2522   15.800   0.3520   15.810   0.3612 -0.8919000E-02 0.5044000 
1 1 1  -13   17    4 o   36.770   0.2582   36.960   0.3649   36.580   0.3653 0.3828000 0.5163000 
1 1 1  -13   17    5 o   23.790   0.2258   23.700   0.3158   23.870   0.3227 -0.1765000 0.4515000 
1 1 1  -13   17    6 o   26.800   0.2576   26.790   0.3991   26.820   0.3258 -0.3131000E-01 0.5152000 
1 1 1  -13   17    7 o   15.210   0.2726   15.090   0.4419   15.340   0.3194 -0.2559000 0.5452000 
1 1 1  -13   17    8 o   35.750   0.2394   35.820   0.3632   35.670   0.3121 0.1535000 0.4789000 
1 1 1  -13   17    9 o   6.1560   0.5083   6.1920   0.7693   6.1200   0.6646 0.7195000E-01 1.017000 
1 1 1  -13   17   10 o   22.930   0.2154   22.880   0.3240   22.980   0.2837 -0.1009000 0.4307000 
1 1 1  -13   17   11 o   16.810   0.2851   16.540   0.4490   17.080   0.3513 -0.5403000 0.5701000 
1 1 1  -13   17   12 o   3.2270   0.8460   3.5590   1.2810   2.8950   1.1060 0.6643000 1.692000 
1 1 1  -13   17   13 o   13.140   0.2873   12.960   0.4119   13.320   0.4007 -0.3549000 0.5746000 
1 1 1  -13   17   14 o   21.130   0.2335   20.990   0.3323   21.280   0.3280 -0.2935000 0.4669000 
1 1 1  -13   17   15 o   12.770   0.2939   13.110   0.3953   12.420   0.4349 0.6877000 0.5877000 
1 1 1  -13   17   16 o   6.8440   0.6790   6.8440   0.6790  ?   ?       ?      ? 
1 1 1  -13   17   17 o   5.6780   0.6374   6.5500   0.8123   4.8060   0.9825 1.744000 1.275000 
1 1 1  -13   17   18 o   7.1970   0.5119   6.7230   0.8101   7.6710   0.6260 -0.9474000 1.024000 
1 1 1  -13   17   19 o   5.5470   0.5932   5.0980   0.9156   5.9970   0.7543 -0.8992000 1.186000 
1 1 1  -13   17   20 o   7.5440   0.4338   7.3470   0.6411   7.7420   0.5846 -0.3956000 0.8676000 
1 1 1  -13   17   21 o   5.4840   0.5925   5.7520   0.7948   5.2150   0.8790 0.5370000 1.185000 
1 1 1  -13   17   22 o   8.1760   0.3979   8.4160   0.5479   7.9370   0.5773 0.4790000 0.7959000 
1 1 1  -13   17   23 o   5.6060   0.7693   6.8730   0.8621   4.3390   1.2740 2.534000 1.539000 
1 1 1  -13   17   24 o   12.150   0.3957   12.220   0.5478   12.070   0.5713 0.1487000 0.7915000 
1 1 1  -13   17   25 o   6.1870   0.5586   6.6040   0.7722   5.7700   0.8074 0.8343000 1.117000 
1 1 1  -13   17   26 o   6.9510   0.5495   6.8850   0.8561   7.0170   0.6890 -0.1319000 1.099000 
1 1 1  -13   17   27 o   7.7500   0.4607   7.8310   0.6587   7.6690   0.6441 0.1623000 0.9213000 
1 1 1  -13   17   28 o   2.7310   0.8246   2.8830   1.2190   2.5790   1.1110 0.3035000 1.649000 
1 1 1  -13   17   29 o   4.4560   1.6320   4.4560   1.6320  ?   ?       ?      ? 
1 1 1  -13   19    1 o   14.460   0.2699   14.550   0.3832   14.370   0.3803 0.1822000 0.5399000 
1 1 1  -13   19    2 o   9.9030   0.3547   9.6770   0.5123   10.130   0.4909 -0.4518000 0.7095000 
1 1 1  -13   19    3 o   5.8380   0.5848   5.5060   0.8731   6.1700   0.7783 -0.6636000 1.170000 
1 1 1  -13   19    4 o   17.380   0.2484   17.290   0.3535   17.470   0.3492 -0.1767000 0.4969000 
1 1 1  -13   19    5 o   8.9840   0.3885   9.5720   0.5136   8.3960   0.5829 1.176000 0.7769000 
1 1 1  -13   19    6 o   11.320   0.3154   11.340   0.4495   11.290   0.4425 0.5209000E-01 0.6307000 
1 1 1  -13   19    7 o   12.420   0.3358   12.260   0.5278   12.570   0.4154 -0.3136000 0.6717000 
1 1 1  -13   19    8 o   12.930   0.2763   12.740   0.4200   13.120   0.3593 -0.3801000 0.5527000 
1 1 1  -13   19    9 o   17.030   0.2377   16.530   0.3639   17.540   0.3057 -1.011000 0.4753000 
1 1 1  -13   19   10 o   15.320   0.2458   15.370   0.3718   15.270   0.3217 0.1057000 0.4917000 
1 1 1  -13   19   11 o   5.2350   0.6191   4.3210   1.0400   6.1490   0.6713 -1.828000 1.238000 
1 1 1  -13   19   12 o   16.820   0.2497   17.020   0.3532   16.620   0.3532 0.3934000 0.4995000 
1 1 1  -13   19   13 o   15.430   0.2597   15.550   0.3666   15.310   0.3678 0.2439000 0.5193000 
1 1 1  -13   19   14 o   12.070   0.2874   11.240   0.4540   12.910   0.3526 -1.664000 0.5749000 
1 1 1  -13   19   15 o   16.600   0.2768   16.330   0.4258   16.870   0.3537 -0.5433000 0.5536000 
1 1 1  -13   19   16 o   13.410   0.3099   13.580   0.4585   13.250   0.4170 0.3353000 0.6198000 
1 1 1  -13   19   17 o   2.3290   0.6892   2.9940   1.1140   1.6630   0.8118 1.332000 1.378000 
1 1 1  -13   19   18 o   8.2700   0.4208   8.1650   0.5912   8.3760   0.5991 -0.2107000 0.8417000 
1 1 1  -13   19   19 o   7.5660   0.4505   8.0240   0.5847   7.1080   0.6856 0.9164000 0.9010000 
1 1 1  -13   19   20 o   11.390   0.3194   11.560   0.4405   11.230   0.4626 0.3304000 0.6388000 
1 1 1  -13   19   21 o   6.2470   0.7010   5.9630   0.9702   6.5310   1.0120 -0.5679000 1.402000 
1 1 1  -13   19   22 o   8.9380   0.5036   9.2860   0.6715   8.5910   0.7507 0.6945000 1.007000 
1 1 1  -13   19   23 o   3.8910   0.7791   3.1990   1.1390   4.5840   1.0630 -1.385000 1.558000 
1 1 1  -13   19   24 o   8.0220   0.4924   9.0610   0.6639   6.9830   0.7274 2.079000 0.9848000 
1 1 1  -13   19   25 o   3.2850   0.8483   3.5180   1.2460   3.0520   1.1520 0.4668000 1.697000 
1 1 1  -13   19   26 o   3.0660   0.8141   2.8610   1.1350   3.2710   1.1670 -0.4097000 1.628000 
1 1 1  -13   19   27 o   3.1910   0.8871   3.8100   1.3650   2.5710   1.1340 1.239000 1.774000 
1 1 1  -13   21    1 o   12.060   0.3214   11.700   0.4773   12.420   0.4305 -0.7147000 0.6427000 
1 1 1  -13   21    2 o   3.8790   0.7989   3.7490   1.1660   4.0100   1.0920 -0.2619000 1.598000 
1 1 1  -13   21    3 o   7.9050   0.4447   8.5000   0.5926   7.3090   0.6633 1.191000 0.8895000 
1 1 1  -13   21    4 o   5.6930   0.6052   6.0340   0.8013   5.3520   0.9071 0.6828000 1.210000 
1 1 1  -13   21    5 o   17.470   0.2528   17.210   0.3621   17.740   0.3529 -0.5230000 0.5056000 
1 1 1  -13   21    6 o   24.370   0.2389   24.480   0.3394   24.260   0.3363 0.2169000 0.4778000 
1 1 1  -13   21    7 f   9.6760   0.3641   10.220   0.4926   9.1350   0.5363 1.082000 0.7282000 
1 1 1  -13   21    8 o   17.820   0.2508   17.480   0.3619   18.160   0.3474 -0.6768000 0.5016000 
1 1 1  -13   21    9 o   16.940   0.2411   17.100   0.3664   16.780   0.3133 0.3217000 0.4821000 
1 1 1  -13   21   10 o   16.300   0.2426   16.270   0.3693   16.330   0.3146 -0.6120000E-01 0.4852000 
1 1 1  -13   21   11 o   6.6100   0.4833   5.7780   0.7989   7.4420   0.5443 -1.664000 0.9667000 
1 1 1  -13   21   12 o   3.7840   0.7801   4.0140   1.1870   3.5540   1.0130 0.4595000 1.560000 
1 1 1  -13   21   13 o   7.3250   0.5059   6.4630   0.8791   8.1860   0.5009 -1.723000 1.012000 
1 1 1  -13   21   14 o   8.5580   0.4054   8.4550   0.6611   8.6610   0.4695 -0.2062000 0.8108000 
1 1 1  -13   21   15 o   9.7320   0.3331   10.270   0.4819   9.1900   0.4599 1.084000 0.6662000 
1 1 1  -13   21   16 o   3.3970   0.7279   4.3420   1.0640   2.4530   0.9940 1.889000 1.456000 
1 1 1  -13   21   17 o   2.6260   0.7564   2.3400   1.0200   2.9130   1.1170 -0.5726000 1.513000 
1 1 1  -13   21   18 o   8.3170   0.5395   8.3410   0.7022   8.2930   0.8193 0.4842000E-01 1.079000 
1 1 1  -13   21   19 o   9.2550   0.4927   9.6060   0.6335   8.9050   0.7549 0.7017000 0.9855000 
1 1 1  -13   21   20 o   3.8760   0.7918   3.3930   1.1490   4.3590   1.0900 -0.9659000 1.584000 
1 1 1  -13   21   21 o   3.4650   0.8181   3.7380   1.1560   3.1920   1.1580 0.5456000 1.636000 
1 1 1  -13   21   22 o   4.3800   0.8312   4.2230   1.2510   4.5360   1.0950 -0.3132000 1.662000 
1 1 1  -13   21   23 o   4.2720   0.8237   5.2250   1.1300   3.3190   1.1980 1.906000 1.647000 
1 1 1  -13   21   24 o   2.4830   0.7474   2.8430   1.1240   2.1240   0.9857 0.7194000 1.495000 
1 1 1  -13   21   25 o   2.4840   0.7929   2.8760   1.2310   2.0920   1.0000 0.7839000 1.586000 
1 1 1  -13   23    1 o   10.020   0.3120   9.8630   0.4481   10.170   0.4343 -0.3091000 0.6241000 
1 1 1  -13   23    2 o   17.160   0.2252   17.140   0.3178   17.190   0.3191 -0.4916000E-01 0.4504000 
1 1 1  -13   23    3 o   12.760   0.2611   12.770   0.3667   12.740   0.3718 0.3329000E-01 0.5222000 
1 1 1  -13   23    4 o   7.1540   0.4115   7.1370   0.5838   7.1700   0.5800 -0.3280000E-01 0.8229000 
1 1 1  -13   23    5 o   3.1110   0.7462   2.8950   1.0460   3.3270   1.0640 -0.4318000 1.492000 
1 1 1  -13   23    6 o   14.660   0.2385   14.360   0.3382   14.960   0.3364 -0.5975000 0.4770000 
1 1 1  -13   23    7 o   5.5250   0.5713   5.5140   0.8690   5.5360   0.7420 -0.2204000E-01 1.143000 
1 1 1  -13   23    8 o   5.1960   0.6035   5.4710   0.8948   4.9210   0.8099 0.5503000 1.207000 
1 1 1  -13   23    9 o   2.6540   0.7458   2.6370   1.0900   2.6710   1.0180 -0.3385000E-01 1.492000 
1 1 1  -13   23   10 o   2.5690   0.7598   3.0180   1.1990   2.1200   0.9333 0.8981000 1.520000 
1 1 1  -13   23   11 o   6.4030   0.5549   5.9020   0.9436   6.9040   0.5844 -1.002000 1.110000 
1 1 1  -13   23   12 o   11.790   0.2934   11.350   0.4535   12.240   0.3723 -0.8931000 0.5867000 
1 1 1  -13   23   13 o   5.6650   0.5444   6.3200   0.7349   5.0090   0.8034 1.310000 1.089000 
1 1 1  -13   23   14 o   3.3340   0.7293   2.7640   1.0790   3.9050   0.9812 -1.141000 1.459000 
1 1 1  -13   23   15 o   6.2130   0.5938   6.2960   0.8705   6.1290   0.8080 0.1670000 1.188000 
1 1 1  -13   23   16 o   7.7820   0.4959   7.4620   0.7703   8.1010   0.6248 -0.6389000 0.9918000 
1 1 1  -13   23   17 o   5.0590   0.6412   6.1680   0.7898   3.9500   1.0100 2.218000 1.282000 
1 1 1  -13   23   18 o   3.8160   0.7136   2.7940   1.1070   4.8380   0.9012 -2.044000 1.427000 
1 1 1  -13   23   19 o   3.1130   0.8417   3.0630   1.2090   3.1630   1.1720 -0.1007000 1.683000 
1 1 1  -13   23   20 o   3.7060   0.8609   3.5220   1.2660   3.8910   1.1670 -0.3690000 1.722000 
1 1 1  -13   23   21 o   9.3270   0.4025   9.4540   0.5651   9.1990   0.5734 0.2551000 0.8051000 
1 1 1  -13   23   22 o   1.9370   0.6658   1.8610   0.9180   2.0140   0.9645 -0.1537000 1.332000 
1 1 1  -13   23   23 o   2.1740   0.7058   2.4340   1.0610   1.9140   0.9306 0.5200000 1.412000 
1 1 1  -13   25    1 o   7.8130   0.3851   7.4260   0.5668   8.2010   0.5216 -0.7747000 0.7703000 
1 1 1  -13   25    2 o   7.9710   0.3832   8.5780   0.4973   7.3630   0.5831 1.215000 0.7663000 
1 1 1  -13   25    3 o   9.6440   0.3204   9.3390   0.4602   9.9480   0.4461 -0.6091000 0.6409000 
1 1 1  -13   25    4 o   7.2970   0.4059   7.0540   0.5888   7.5400   0.5589 -0.4862000 0.8118000 
1 1 1  -13   25    5 o   2.8330   0.7176   3.3670   1.0520   2.2990   0.9767 1.067000 1.435000 
1 1 1  -13   25    6 o   7.8600   0.3853   7.5240   0.5647   8.1970   0.5245 -0.6730000 0.7707000 
1 1 1  -13   25    7 o   4.3920   0.7707   4.8370   1.1570   3.9480   1.0180 0.8884000 1.541000 
1 1 1  -13   25    8 o   2.2280   0.7058   2.2330   1.0370   2.2230   0.9578 0.1010000E-01 1.412000 
1 1 1  -13   25    9 o   8.8630   0.5410   8.5910   0.9248   9.1340   0.5618 -0.5433000 1.082000 
1 1 1  -13   25   10 o   15.510   0.3046   15.140   0.4696   15.870   0.3882 -0.7338000 0.6092000 
1 1 1  -13   25   11 f   9.2570   0.4240   9.2960   0.6397   9.2180   0.5567 0.7778000E-01 0.8481000 
1 1 1  -13   25   12 o   4.2820   0.7093   5.0330   0.9532   3.5300   1.0510 1.503000 1.419000 
1 1 1  -13   25   13 o   5.6230   0.5851   5.2980   0.9329   5.9470   0.7064 -0.6489000 1.170000 
1 1 1  -13   25   14 o   10.370   0.3354   10.240   0.5072   10.510   0.4389 -0.2717000 0.6708000 
1 1 1  -13   25   15 o   12.830   0.2915   13.090   0.4306   12.570   0.3930 0.5218000 0.5830000 
1 1 1  -13   25   16 o   8.8970   0.4478   8.8860   0.6777   8.9090   0.5854 -0.2264000E-01 0.8956000 
1 1 1  -13   25   17 o   3.4010   0.8122   4.3450   1.2300   2.4570   1.0610 1.887000 1.624000 
1 1 1  -13   25   18 o   2.8530   0.7649   3.4650   1.1720   2.2410   0.9827 1.224000 1.530000 
1 1 1  -13   25   19 o   4.6360   0.7963   3.3760   1.3110   5.8960   0.9037 -2.519000 1.593000 
1 1 1  -13   25   20 o   2.2000   0.7097   1.7560   0.8729   2.6440   1.1190 -0.8878000 1.419000 
1 1 1  -13   27    1 o   2.1700   0.6748   2.3050   0.9896   2.0340   0.9176 0.2704000 1.350000 
1 1 1  -13   27    2 o   9.0760   0.3453   9.0280   0.4998   9.1230   0.4767 -0.9497000E-01 0.6907000 
1 1 1  -13   27    3 o   2.2250   0.6848   2.1050   0.9424   2.3450   0.9939 -0.2394000 1.370000 
1 1 1  -13   27    4 o   5.5530   0.5523   5.6200   0.7885   5.4870   0.7736 0.1332000 1.105000 
1 1 1  -13   27    5 o   3.3530   0.7943   2.8930   1.2140   3.8120   1.0240 -0.9188000 1.589000 
1 1 1  -13   27    6 o   2.8180   0.8005   3.3260   1.2640   2.3110   0.9825 1.016000 1.601000 
1 1 1  -13   27    7 o   5.5060   0.5926   5.4800   0.9172   5.5330   0.7508 -0.5278000E-01 1.185000 
1 1 1  -13   27    8 o   5.3130   0.6185   5.3490   0.9449   5.2770   0.7982 0.7261000E-01 1.237000 
1 1 1  -13   27    9 o   3.3170   0.8352   3.1740   1.1930   3.4600   1.1690 -0.2859000 1.670000 
1 1 1  -13   27   10 o   7.0830   0.5963   6.9080   0.9583   7.2590   0.7099 -0.3507000 1.193000 
1 1 1  -13   27   11 o   4.9320   0.7890   5.0140   1.2010   4.8500   1.0240 0.1637000 1.578000 
1 1 1  -13   27   12 o   3.4610   0.8414   3.1680   1.2440   3.7530   1.1340 -0.5849000 1.683000 
1 1 1  -13   27   13 o   4.4050   0.7247   4.7460   1.0260   4.0650   1.0240 0.6813000 1.449000 
1 1 1  -13   27   14 o   2.6220   0.7532   2.6020   1.0850   2.6420   1.0450 -0.3992000E-01 1.506000 
1 1 1  -13   27   15 o   2.1750   0.7169   2.3320   1.0820   2.0180   0.9411 0.3142000 1.434000 
1 1 1  -13   27   16 o   2.0320   0.6804   2.0270   0.9762   2.0360   0.9480 -0.8551000E-02 1.361000 
1 1 1  -13   27   17 o   3.3350   0.8037   3.6540   1.1760   3.0170   1.0960 0.6370000 1.607000 
1 1 1  -13   29    1 o   1.8800   0.6202   2.2050   0.9773   1.5560   0.7640 0.6488000 1.240000 
1 1 1  -13   29    2 o   2.5360   0.7392   2.0870   1.0060   2.9860   1.0830 -0.8983000 1.478000 
1 1 1  -13   29    3 o   4.0050   0.8243   3.4850   1.3330   4.5260   0.9701 -1.041000 1.649000 
1 1 1  -13   29    4 o   7.8990   0.4571   7.8500   0.7130   7.9470   0.5721 -0.9661000E-01 0.9141000 
1 1 1  -13   29    5 f   5.6260   0.5722   5.9700   0.7715   5.2810   0.8453 0.6885000 1.144000 
1 1 1  -13   29    6 o   5.6210   0.6101   5.7800   0.9092   5.4620   0.8137 0.3178000 1.220000 
1 1 1  -13   29    7 f   2.1840   0.7110   2.2560   1.0570   2.1120   0.9513 0.1445000 1.422000 
1 1 1  -13   29    8 o   2.4880   0.7863   3.0330   1.2780   1.9420   0.9172 1.090000 1.573000 
1 1 1  -13   29    9 o   2.6920   0.8214   2.9390   1.2630   2.4440   1.0500 0.4952000 1.643000 
1 1 1  -13   29   10 o   1.9010   0.6468   1.7640   0.8819   2.0380   0.9465 -0.2744000 1.294000 
1 1 1  -13   29   11 o   3.3100   0.7915   3.9110   1.1730   2.7090   1.0630 1.201000 1.583000 
1 1 1  -13   29   12 o   2.6990   0.7495   2.3600   1.0400   3.0380   1.0800 -0.6787000 1.499000 
1 1 1  -12    0    1 o   74.560   0.7419   74.560   0.7419   74.560   0.7419 -0.000000 0.000000 
1 1 1  -12    0    2 o   37.440   0.3066   37.440   0.3066   37.440   0.3066 -0.000000 0.000000 
1 1 1  -12    0    3 o   65.130   0.5289   65.130   0.5289   65.130   0.5289 -0.000000 0.000000 
1 1 1  -12    0    4 o   1.4620   0.4837   1.4620   0.4837   1.4620   0.4837 -0.000000 0.000000 
1 1 1  -12    0    5 o   63.920   0.4502   63.920   0.4502   63.920   0.4502 -0.000000 0.000000 
1 1 1  -12    0    6 o   20.210   0.2269   20.210   0.2269   20.210   0.2269 -0.000000 0.000000 
1 1 1  -12    0    7 o   2.1230   0.6018   2.1230   0.6018   2.1230   0.6018 -0.000000 0.000000 
1 1 1  -12    0    8 o   18.960   0.1657   18.960   0.1657   18.960   0.1657 -0.000000 0.000000 
1 1 1  -12    0    9 o   8.2510   0.1952   8.2510   0.1952   8.2510   0.1952 -0.000000 0.000000 
1 1 1  -12    0   10 f   19.260   0.2524   19.260   0.2524   19.260   0.2524 -0.000000 0.000000 
1 1 1  -12    0   11 o   17.980   0.2572   17.980   0.2572   17.980   0.2572 -0.000000 0.000000 
1 1 1  -12    0   12 o   64.340   0.4603   64.340   0.4603   64.340   0.4603 -0.000000 0.000000 
1 1 1  -12    0   13 o   12.920   0.2050   12.920   0.2050   12.920   0.2050 -0.000000 0.000000 
1 1 1  -12    0   14 o   16.290   0.2046   16.290   0.2046   16.290   0.2046 -0.000000 0.000000 
1 1 1  -12    0   15 o   17.300   0.2524   17.300   0.2524   17.300   0.2524 -0.000000 0.000000 
1 1 1  -12    0   16 o   5.1930   0.5679   5.1930   0.5679   5.1930   0.5679 -0.000000 0.000000 
1 1 1  -12    0   17 o   32.220   0.2714   32.220   0.2714   32.220   0.2714 -0.000000 0.000000 
1 1 1  -12    0   18 o   21.040   0.2450   21.040   0.2450   21.040   0.2450 -0.000000 0.000000 
1 1 1  -12    0   19 o   43.130   0.4738   43.130   0.4738   43.130   0.4738 -0.000000 0.000000 
1 1 1  -12    0   20 o   25.430   0.2680   25.430   0.2680   25.430   0.2680 -0.000000 0.000000 
1 1 1  -12    0   21 o   38.050   0.3120   38.050   0.3120   38.050   0.3120 -0.000000 0.000000 
1 1 1  -12    0   22 o   1.7180   1.0560   1.7180   1.0560   1.7180   1.0560 -0.000000 0.000000 
1 1 1  -12    0   23 f   20.280   0.2658   20.280   0.2658   20.280   0.2658 -0.000000 0.000000 
1 1 1  -12    0   24 o   2.9180   1.4380   2.9180   1.4380   2.9180   1.4380 -0.000000 0.000000 
1 1 1  -12    0   25 o   17.570   0.2808   17.570   0.2808   17.570   0.2808 -0.000000 0.000000 
1 1 1  -12    0   26 o   1.5400   0.9889   1.5400   0.9889   1.5400   0.9889 -0.000000 0.000000 
1 1 1  -12    0   27 o   13.440   0.3270   13.440   0.3270   13.440   0.3270 -0.000000 0.000000 
1 1 1  -12    0   28 o   1.7250   1.0660   1.7250   1.0660   1.7250   1.0660 -0.000000 0.000000 
1 1 1  -12    0   29 o   1.3940   0.9364   1.3940   0.9364   1.3940   0.9364 -0.000000 0.000000 
1 1 1  -12    0   30 o   5.6720   0.8280   5.6720   0.8280   5.6720   0.8280 -0.000000 0.000000 
1 1 1  -12    0   31 o   7.2860   0.7781   7.2860   0.7781   7.2860   0.7781 -0.000000 0.000000 
1 1 1  -12    0   32 o   4.7030   1.1030   4.7030   1.1030   4.7030   1.1030 -0.000000 0.000000 
1 1 1  -12    0   33 o   2.0140   1.2760   2.0140   1.2760   2.0140   1.2760 -0.000000 0.000000 
1 1 1  -12    0   34 o   2.2570   1.4410   2.2570   1.4410   2.2570   1.4410 -0.000000 0.000000 
1 1 1  -12    2    1 o   71.490   0.3842   71.300   0.5795   71.680   0.5047 -0.3858000 0.7685000 
1 1 1  -12    2    2 o   50.230   0.2717   50.290   0.4114   50.170   0.3551 0.1192000 0.5435000 
1 1 1  -12    2    3 o   14.400   0.1057   14.100   0.1475   14.690   0.1514 -0.5875000 0.2114000 
1 1 1  -12    2    4 o   55.950   0.3959   56.320   0.5637   55.580   0.5561 0.7380000 0.7919000 
1 1 1  -12    2    5 o   54.450   0.3862   54.800   0.5495   54.100   0.5427 0.6974000 0.7724000 
1 1 1  -12    2    6 o   57.570   0.3730   57.570   0.5780   57.580   0.4717 -0.7942000E-02 0.7460000 
1 1 1  -12    2    7 o   41.700   0.2304   41.640   0.3011   41.760   0.3487 -0.1255000 0.4607000 
1 1 1  -12    2    8 o   4.8670   0.2282   4.8810   0.2962   4.8520   0.3472 0.2945000E-01 0.4564000 
1 1 1  -12    2    9 o   9.9250   0.1437   9.7870   0.1886   10.060   0.2168 -0.2749000 0.2873000 
1 1 1  -12    2   10 o   23.030   0.1793   23.330   0.2290   22.730   0.2759 0.5951000 0.3586000 
1 1 1  -12    2   11 o   11.350   0.2428   11.450   0.2809   11.240   0.3961 0.2071000 0.4856000 
1 1 1  -12    2   12 o   26.430   0.1685   26.370   0.2202   26.500   0.2552 -0.1338000 0.3371000 
1 1 1  -12    2   13 o   11.410   0.1929   11.320   0.2235   11.500   0.3146 -0.1754000 0.3859000 
1 1 1  -12    2   14 f   9.9440   0.1975   10.040   0.2581   9.8510   0.2989 0.1877000 0.3949000 
1 1 1  -12    2   15 o   19.450   0.1671   19.340   0.2173   19.570   0.2539 -0.2352000 0.3342000 
1 1 1  -12    2   16 o   68.390   0.3767   68.480   0.4937   68.290   0.5691 0.1922000 0.7534000 
1 1 1  -12    2   17 o   22.090   0.1844   22.120   0.2414   22.060   0.2787 0.5998000E-01 0.3687000 
1 1 1  -12    2   18 o   25.000   0.1916   25.160   0.2514   24.840   0.2893 0.3183000 0.3832000 
1 1 1  -12    2   19 f   10.490   0.3749   11.420   0.4849   9.5650   0.5719 1.857000 0.7498000 
1 1 1  -12    2   20 o   20.780   0.2046   20.870   0.2672   20.700   0.3100 0.1688000 0.4092000 
1 1 1  -12    2   21 o   19.060   0.2048   18.960   0.2699   19.170   0.3081 -0.2113000 0.4096000 
1 1 1  -12    2   22 o   12.950   0.2427   12.820   0.3220   13.090   0.3633 -0.2686000 0.4854000 
1 1 1  -12    2   23 o   21.980   0.2013   21.840   0.2654   22.120   0.3026 -0.2787000 0.4025000 
1 1 1  -12    2   24 o   7.1470   0.6194   7.3120   0.7422   6.9810   0.9919 0.3309000 1.239000 
1 1 1  -12    2   25 o   6.6870   0.4208   6.0750   0.6072   7.2980   0.5828 -1.223000 0.8417000 
1 1 1  -12    2   26 o   7.8050   0.3858   8.7970   0.4400   6.8130   0.6338 1.984000 0.7715000 
1 1 1  -12    2   27 o   4.6700   0.6111   4.7230   0.7978   4.6180   0.9258 0.1056000 1.222000 
1 1 1  -12    2   28 o   9.5470   0.3187   9.0890   0.4369   10.010   0.4641 -0.9176000 0.6374000 
1 1 1  -12    2   29 o   16.870   0.2285   16.990   0.3030   16.750   0.3422 0.2407000 0.4570000 
1 1 1  -12    2   30 o   5.3720   0.5652   5.8280   0.6892   4.9170   0.8960 0.9106000 1.130000 
1 1 1  -12    2   31 o   4.9720   0.7748   6.0560   0.9164   3.8890   1.2500 2.167000 1.550000 
1 1 1  -12    2   32 o   4.4900   0.7929   4.6790   1.1830   4.3010   1.0560 0.3783000 1.586000 
1 1 1  -12    2   33 o   2.9010   0.7828   3.7690   1.2550   2.0330   0.9353 1.736000 1.566000 
1 1 1  -12    2   34 o   2.1130   0.6668   2.4260   1.0170   1.8000   0.8630 0.6258000 1.334000 
1 1 1  -12    4    1 o   16.480   0.1086   16.510   0.1538   16.440   0.1535 0.7865000E-01 0.2173000 
1 1 1  -12    4    2 o   35.190   0.1826   35.290   0.2588   35.090   0.2576 0.1989000 0.3652000 
1 1 1  -12    4    3 o   42.150   0.2326   42.070   0.3515   42.230   0.3048 -0.1586000 0.4653000 
1 1 1  -12    4    4 o   58.110   0.3780   58.200   0.5866   58.020   0.4768 0.1707000 0.7559000 
1 1 1  -12    4    5 o   33.200   0.2266   32.940   0.3490   33.460   0.2893 -0.5266000 0.4533000 
1 1 1  -12    4    6 o   59.270   0.3452   59.060   0.4866   59.480   0.4897 -0.4255000 0.6903000 
1 1 1  -12    4    7 o   31.130   0.1948   31.140   0.2761   31.110   0.2748 0.2579000E-01 0.3896000 
1 1 1  -12    4    8 o   9.9310   0.1610   9.8460   0.2275   10.020   0.2279 -0.1687000 0.3220000 
1 1 1  -12    4    9 o   37.930   0.2839   37.840   0.4016   38.010   0.4014 -0.1734000 0.5678000 
1 1 1  -12    4   10 o   14.440   0.1926   14.500   0.2758   14.370   0.2689 0.1312000 0.3852000 
1 1 1  -12    4   11 o   17.680   0.1773   17.530   0.2269   17.830   0.2725 -0.3048000 0.3546000 
1 1 1  -12    4   12 o   35.880   0.2263   35.910   0.3207   35.850   0.3194 0.6221000E-01 0.4526000 
1 1 1  -12    4   13 o   14.720   0.1630   14.690   0.2125   14.740   0.2472 -0.5078000E-01 0.3260000 
1 1 1  -12    4   14 o   16.120   0.1668   15.930   0.2188   16.310   0.2519 -0.3850000 0.3336000 
1 1 1  -12    4   15 o   16.960   0.1772   17.180   0.2271   16.750   0.2721 0.4230000 0.3545000 
1 1 1  -12    4   16 o   27.050   0.1910   27.150   0.2506   26.960   0.2882 0.1916000 0.3819000 
1 1 1  -12    4   17 o   65.570   0.3642   65.490   0.4762   65.650   0.5511 -0.1529000 0.7283000 
1 1 1  -12    4   18 o   6.9770   0.4615   6.4670   0.6232   7.4860   0.6808 -1.019000 0.9229000 
1 1 1  -12    4   19 o   24.350   0.2440   24.800   0.3050   23.900   0.3811 0.8990000 0.4881000 
1 1 1  -12    4   20 o   23.680   0.2026   23.850   0.2666   23.500   0.3051 0.3550000 0.4052000 
1 1 1  -12    4   21 o   21.720   0.2015   21.800   0.2670   21.630   0.3019 0.1622000 0.4030000 
1 1 1  -12    4   22 o   16.080   0.2413   16.540   0.2822   15.610   0.3915 0.9337000 0.4826000 
1 1 1  -12    4   23 o   7.4470   0.4532   7.9220   0.5543   6.9710   0.7171 0.9513000 0.9063000 
1 1 1  -12    4   24 o   18.100   0.2507   18.070   0.3184   18.140   0.3874 -0.6377000E-01 0.5015000 
1 1 1  -12    4   25 o  10.0000   0.2976   9.8380   0.3986   10.170   0.4419 -0.3321000 0.5951000 
1 1 1  -12    4   26 o   24.010   0.2078   23.860   0.2714   24.150   0.3147 -0.2898000 0.4156000 
1 1 1  -12    4   27 o   21.700   0.2105   21.500   0.2778   21.890   0.3163 -0.3910000 0.4210000 
1 1 1  -12    4   28 o   7.1890   0.4044   7.5550   0.5015   6.8230   0.6346 0.7313000 0.8088000 
1 1 1  -12    4   29 o   10.620   0.3018   10.690   0.3926   10.550   0.4585 0.1372000 0.6036000 
1 1 1  -12    4   30 o   2.7310   0.7304   3.1440   1.0560   2.3190   1.0090 0.8251000 1.461000 
1 1 1  -12    4   31 o   4.3770   0.9408   5.3530   1.3970   3.4010   1.2600 1.952000 1.882000 
1 1 1  -12    4   32 o   10.950   0.3410   10.750   0.4985   11.150   0.4655 -0.4005000 0.6821000 
1 1 1  -12    4   33 o   5.4770   0.5793   5.2300   0.8221   5.7240   0.8164 -0.4939000 1.159000 
1 1 1  -12    4   34 o   2.2120   0.6971   2.0490   0.9340   2.3750   1.0350 -0.3265000 1.394000 
1 1 1  -12    6    1 o   34.150   0.1825   34.000   0.2572   34.300   0.2591 -0.3008000 0.3651000 
1 1 1  -12    6    2 o   41.130   0.2140   41.460   0.3050   40.810   0.3003 0.6528000 0.4280000 
1 1 1  -12    6    3 o   24.770   0.1451   24.970   0.2065   24.570   0.2038 0.4036000 0.2901000 
1 1 1  -12    6    4 o   28.770   0.1741   28.830   0.2642   28.710   0.2269 0.1158000 0.3482000 
1 1 1  -12    6    5 o   17.750   0.1503   17.470   0.2132   18.030   0.2119 -0.5586000 0.3006000 
1 1 1  -12    6    6 o   53.590   0.3164   53.600   0.4476   53.580   0.4472 0.1503000E-01 0.6327000 
1 1 1  -12    6    7 o   23.950   0.2093   24.170   0.2959   23.730   0.2960 0.4437000 0.4186000 
1 1 1  -12    6    8 o   24.340   0.2118   24.180   0.2995   24.500   0.2996 -0.3168000 0.4236000 
1 1 1  -12    6    9 o   15.060   0.1812   15.100   0.2342   15.030   0.2767 0.7670000E-01 0.3625000 
1 1 1  -12    6   10 o   26.820   0.2085   26.880   0.2670   26.760   0.3202 0.1275000 0.4169000 
1 1 1  -12    6   11 o   34.700   0.2230   34.510   0.3144   34.880   0.3163 -0.3657000 0.4460000 
1 1 1  -12    6   12 o   15.450   0.1793   15.430   0.2545   15.470   0.2525 -0.4109000E-01 0.3585000 
1 1 1  -12    6   13 o   6.6170   0.3269   7.3010   0.4183   5.9330   0.5025 1.368000 0.6538000 
1 1 1  -12    6   14 o   8.4290   0.2880   8.3520   0.4132   8.5060   0.4014 -0.1542000 0.5761000 
1 1 1  -12    6   15 o   75.270   0.4424   75.150   0.6249   75.380   0.6264 -0.2276000 0.8848000 
1 1 1  -12    6   16 o   15.060   0.2193   15.010   0.3154   15.110   0.3048 -0.1017000 0.4386000 
1 1 1  -12    6   17 o   18.320   0.2620   18.370   0.3791   18.280   0.3619 0.9219000E-01 0.5241000 
1 1 1  -12    6   18 o   12.320   0.3080   12.240   0.3900   12.410   0.4769 -0.1733000 0.6161000 
1 1 1  -12    6   19 o   24.550   0.2188   24.300   0.3068   24.790   0.3120 -0.4916000 0.4375000 
1 1 1  -12    6   20 o   31.800   0.2176   31.810   0.2862   31.780   0.3279 0.3453000E-01 0.4353000 
1 1 1  -12    6   21 o   30.920   0.2158   31.120   0.2852   30.730   0.3239 0.3906000 0.4316000 
1 1 1  -12    6   22 o   18.840   0.3210   18.840   0.3210  ?   ?       ?      ? 
1 1 1  -12    6   23 o   5.9170   0.7504   5.9170   0.7504  ?   ?       ?      ? 
1 1 1  -12    6   24 o   5.6140   0.5041   5.4200   0.7053   5.8080   0.7205 -0.3877000 1.008000 
1 1 1  -12    6   25 o   6.1010   0.4672   6.3590   0.5887   5.8430   0.7255 0.5164000 0.9343000 
1 1 1  -12    6   26 o   9.6710   0.3060   9.1950   0.4281   10.150   0.4374 -0.9513000 0.6120000 
1 1 1  -12    6   27 o   8.1040   0.3641   7.8130   0.5013   8.3950   0.5282 -0.5824000 0.7282000 
1 1 1  -12    6   28 o   3.7820   0.7174   3.2610   1.0310   4.3040   0.9984 -1.043000 1.435000 
1 1 1  -12    6   29 o   7.9080   0.4561   8.2900   0.6738   7.5260   0.6150 0.7642000 0.9122000 
1 1 1  -12    6   30 o   7.1250   0.7109   6.7060   1.1710   7.5440   0.8056 -0.8382000 1.422000 
1 1 1  -12    6   31 o   3.5180   0.7968   3.3590   1.1330   3.6770   1.1200 -0.3186000 1.594000 
1 1 1  -12    6   32 o   2.2870   0.6991   1.9730   0.9054   2.6010   1.0650 -0.6277000 1.398000 
1 1 1  -12    6   33 o   2.2830   0.6950   2.6020   1.0410   1.9650   0.9205 0.6369000 1.390000 
1 1 1  -12    8    1 o   28.710   0.1904   28.570   0.2698   28.860   0.2688 -0.2928000 0.3808000 
1 1 1  -12    8    2 o   9.1540   0.2230   8.5910   0.3581   9.7170   0.2657 -1.127000 0.4459000 
1 1 1  -12    8    3 o   12.490   0.1670   12.570   0.2365   12.410   0.2359 0.1546000 0.3341000 
1 1 1  -12    8    4 o   6.8630   0.2232   7.1160   0.3076   6.6100   0.3236 0.5062000 0.4465000 
1 1 1  -12    8    5 o   27.250   0.1752   27.240   0.2652   27.270   0.2289 -0.3419000E-01 0.3504000 
1 1 1  -12    8    6 o   26.610   0.2093   26.410   0.3239   26.800   0.2651 -0.3876000 0.4185000 
1 1 1  -12    8    7 o   35.310   0.2520   35.340   0.3195   35.280   0.3898 0.5668000E-01 0.5040000 
1 1 1  -12    8    8 o   25.330   0.2073   25.340   0.2619   25.320   0.3215 0.1554000E-01 0.4147000 
1 1 1  -12    8    9 o   31.160   0.2095   31.150   0.2955   31.160   0.2971 -0.7624000E-02 0.4190000 
1 1 1  -12    8   10 o   58.940   0.3508   58.250   0.4910   59.630   0.5011 -1.379000 0.7016000 
1 1 1  -12    8   11 o   26.920   0.1974   27.020   0.2801   26.820   0.2783 0.1945000 0.3948000 
1 1 1  -12    8   12 o   33.550   0.2249   33.440   0.3188   33.660   0.3174 -0.2161000 0.4499000 
1 1 1  -12    8   13 o   54.960   0.3319   55.070   0.4706   54.840   0.4681 0.2362000 0.6638000 
1 1 1  -12    8   14 o   15.350   0.2174   15.290   0.3128   15.410   0.3021 -0.1179000 0.4349000 
1 1 1  -12    8   15 o   38.860   0.2543   38.570   0.3588   39.150   0.3605 -0.5790000 0.5086000 
1 1 1  -12    8   16 o   53.060   0.3995   53.510   0.5700   52.610   0.5599 0.9062000 0.7990000 
1 1 1  -12    8   17 o   20.330   0.2236   20.610   0.3210   20.050   0.3114 0.5585000 0.4472000 
1 1 1  -12    8   18 o   18.180   0.2590   18.660   0.3997   17.710   0.3295 0.9436000 0.5180000 
1 1 1  -12    8   19 o   21.790   0.2434   21.640   0.3144   21.940   0.3718 -0.3041000 0.4869000 
1 1 1  -12    8   20 o   8.6570   0.3613   8.8440   0.5079   8.4710   0.5139 0.3733000 0.7225000 
1 1 1  -12    8   21 o   26.420   0.2718   26.030   0.3903   26.820   0.3783 -0.7905000 0.5436000 
1 1 1  -12    8   22 o   14.480   0.2729   14.850   0.3522   14.110   0.4168 0.7433000 0.5457000 
1 1 1  -12    8   23 o   15.560   0.2677   16.220   0.3456   14.900   0.4089 1.322000 0.5354000 
1 1 1  -12    8   24 o   31.520   0.2241   31.770   0.2966   31.260   0.3359 0.5033000 0.4482000 
1 1 1  -12    8   25 o   17.330   0.2218   17.340   0.2982   17.320   0.3284 0.2334000E-01 0.4436000 
1 1 1  -12    8   26 f   6.1680   0.4702   6.5380   0.6063   5.7980   0.7190 0.7396000 0.9405000 
1 1 1  -12    8   27 o   9.2780   0.3462   9.2540   0.4966   9.3030   0.4826 -0.4968000E-01 0.6925000 
1 1 1  -12    8   28 o   4.8580   0.7036   4.6090   1.1390   5.1080   0.8265 -0.4994000 1.407000 
1 1 1  -12    8   29 o   2.6180   0.8042   2.6090   1.1330   2.6270   1.1410 -0.1820000E-01 1.608000 
1 1 1  -12    8   30 o   3.1680   0.7476   2.4010   1.0330   3.9350   1.0810 -1.534000 1.495000 
1 1 1  -12    8   31 o   2.8780   0.7654   2.6950   1.0440   3.0610   1.1190 -0.3667000 1.531000 
1 1 1  -12    8   32 o   3.6050   0.7011   4.7750   0.9310   2.4360   1.0490 2.339000 1.402000 
1 1 1  -12    8   33 f   4.0780   0.7889   3.2670   1.1740   4.8890   1.0540 -1.622000 1.578000 
1 1 1  -12   10    1 o   32.590   0.1861   32.430   0.2616   32.750   0.2647 -0.3143000 0.3722000 
1 1 1  -12   10    2 o   18.340   0.1509   18.610   0.2142   18.070   0.2128 0.5409000 0.3019000 
1 1 1  -12   10    3 o   25.810   0.1763   25.500   0.2650   26.120   0.2326 -0.6230000 0.3526000 
1 1 1  -12   10    4 f   29.820   0.1764   30.030   0.2500   29.600   0.2489 0.4283000 0.3528000 
1 1 1  -12   10    5 o   8.7780   0.2336   9.0520   0.3440   8.5050   0.3162 0.5477000 0.4673000 
1 1 1  -12   10    6 o   29.700   0.1923   29.510   0.2904   29.900   0.2522 -0.3896000 0.3846000 
1 1 1  -12   10    7 o   23.460   0.1768   23.640   0.2689   23.280   0.2296 0.3631000 0.3535000 
1 1 1  -12   10    8 f   15.250   0.1931   15.190   0.2733   15.320   0.2727 -0.1223000 0.3861000 
1 1 1  -12   10    9 o   42.260   0.2661   42.170   0.3755   42.350   0.3772 -0.1802000 0.5322000 
1 1 1  -12   10   10 o   35.920   0.2378   36.080   0.3369   35.760   0.3356 0.3262000 0.4756000 
1 1 1  -12   10   11 o   35.200   0.2363   35.380   0.3338   35.020   0.3344 0.3637000 0.4725000 
1 1 1  -12   10   12 o   93.150   0.5438   93.340   0.7707   92.950   0.7673 0.3869000 1.088000 
1 1 1  -12   10   13 o   12.300   0.2452   12.570   0.3462   12.020   0.3473 0.5495000 0.4904000 
1 1 1  -12   10   14 f   18.740   0.2657   18.860   0.3773   18.620   0.3741 0.2386000 0.5313000 
1 1 1  -12   10   15 o   18.770   0.3909   18.770   0.3909  ?   ?       ?      ? 
1 1 1  -12   10   16 o   42.500   0.3105   42.830   0.4833   42.170   0.3899 0.6607000 0.6209000 
1 1 1  -12   10   17 o   4.5500   0.7612   4.2780   1.1960   4.8220   0.9419 -0.5433000 1.522000 
1 1 1  -12   10   18 o   25.990   0.2233   25.870   0.3187   26.110   0.3129 -0.2454000 0.4466000 
1 1 1  -12   10   19 o   9.0980   0.3623   8.2640   0.5697   9.9310   0.4479 -1.668000 0.7246000 
1 1 1  -12   10   20 o   5.4410   0.7184   6.2650   0.9312   4.6160   1.0940 1.648000 1.437000 
1 1 1  -12   10   21 o   6.2820   0.5006   7.0530   0.6322   5.5110   0.7764 1.542000 1.001000 
1 1 1  -12   10   22 o   7.7760   0.4444   7.6060   0.5967   7.9450   0.6589 -0.3390000 0.8889000 
1 1 1  -12   10   23 o   8.4780   0.4025   7.7760   0.5617   9.1800   0.5765 -1.404000 0.8049000 
1 1 1  -12   10   24 o   10.640   0.3140   10.620   0.4484   10.660   0.4398 -0.4479000E-01 0.6281000 
1 1 1  -12   10   25 o   14.390   0.2668   14.870   0.3746   13.910   0.3801 0.9655000 0.5337000 
1 1 1  -12   10   26 o   13.210   0.3031   12.980   0.4701   13.430   0.3826 -0.4502000 0.6061000 
1 1 1  -12   10   27 o   12.760   0.3008   12.750   0.4611   12.780   0.3863 -0.3662000E-01 0.6016000 
1 1 1  -12   10   28 o   13.240   0.3327   13.510   0.4024   12.960   0.5299 0.5581000 0.6654000 
1 1 1  -12   10   29 o   5.5170   0.6170   6.2520   0.7610   4.7820   0.9714 1.471000 1.234000 
1 1 1  -12   10   30 o   2.0170   0.6538   2.3220   1.0130   1.7120   0.8273 0.6106000 1.308000 
1 1 1  -12   10   31 o   3.4210   0.7480   2.7840   1.0530   4.0570   1.0630 -1.273000 1.496000 
1 1 1  -12   10   32 o   2.3770   0.6926   2.9660   1.0890   1.7880   0.8562 1.178000 1.385000 
1 1 1  -12   12    1 o   45.300   0.2438   45.430   0.3454   45.180   0.3442 0.2448000 0.4876000 
1 1 1  -12   12    2 o   40.400   0.2228   40.370   0.3145   40.420   0.3157 -0.4893000E-01 0.4456000 
1 1 1  -12   12    3 o   11.790   0.1947   11.870   0.2710   11.720   0.2795 0.1519000 0.3893000 
1 1 1  -12   12    4 o   13.600   0.1808   13.980   0.2488   13.220   0.2625 0.7590000 0.3617000 
1 1 1  -12   12    5 o   17.320   0.2079   17.730   0.3390   16.910   0.2410 0.8279000 0.4159000 
1 1 1  -12   12    6 o   53.740   0.3459   53.540   0.5639   53.940   0.4009 -0.3932000 0.6919000 
1 1 1  -12   12    7 o   33.360   0.2143   33.090   0.3229   33.640   0.2819 -0.5462000 0.4286000 
1 1 1  -12   12    8 o   18.550   0.2022   18.460   0.2863   18.640   0.2857 -0.1841000 0.4045000 
1 1 1  -12   12    9 o   24.100   0.2290   24.110   0.2887   24.080   0.3555 0.2479000E-01 0.4580000 
1 1 1  -12   12   10 o   38.490   0.2540   38.620   0.3603   38.350   0.3580 0.2770000 0.5079000 
1 1 1  -12   12   11 o   16.170   0.2244   16.310   0.3166   16.020   0.3182 0.2983000 0.4489000 
1 1 1  -12   12   12 f   46.380   0.3618   46.640   0.5121   46.120   0.5114 0.5260000 0.7237000 
1 1 1  -12   12   13 o   11.730   0.2901   11.760   0.4112   11.700   0.4094 0.6360000E-01 0.5803000 
1 1 1  -12   12   14 o   33.940   0.2439   34.030   0.3478   33.850   0.3421 0.1764000 0.4878000 
1 1 1  -12   12   15 o   32.480   0.2655   32.570   0.4109   32.400   0.3364 0.1637000 0.5311000 
1 1 1  -12   12   16 o   17.390   0.2365   17.160   0.3387   17.620   0.3301 -0.4554000 0.4730000 
1 1 1  -12   12   17 o   36.630   0.2852   36.860   0.4414   36.410   0.3614 0.4456000 0.5705000 
1 1 1  -12   12   18 o   27.580   0.2808   27.500   0.4028   27.660   0.3914 -0.1594000 0.5617000 
1 1 1  -12   12   19 o   23.240   0.2758   22.820   0.3981   23.650   0.3819 -0.8294000 0.5517000 
1 1 1  -12   12   20 f   23.980   0.2306   24.440   0.3256   23.520   0.3265 0.9185000 0.4611000 
1 1 1  -12   12   21 o   25.940   0.2561   25.870   0.3295   26.020   0.3923 -0.1503000 0.5123000 
1 1 1  -12   12   22 o   12.580   0.2847   12.530   0.4116   12.630   0.3936 -0.1028000 0.5695000 
1 1 1  -12   12   23 o   9.3320   0.3557   9.3990   0.5148   9.2650   0.4909 0.1340000 0.7113000 
1 1 1  -12   12   24 o   7.2620   0.4759   7.6210   0.7020   6.9030   0.6429 0.7180000 0.9519000 
1 1 1  -12   12   25 o   18.300   0.2666   18.240   0.4103   18.350   0.3406 -0.1163000 0.5332000 
1 1 1  -12   12   26 o   5.3480   0.6072   6.1230   0.7646   4.5730   0.9434 1.550000 1.214000 
1 1 1  -12   12   27 o   3.6590   0.8555   4.3540   1.2020   2.9630   1.2180 1.391000 1.711000 
1 1 1  -12   12   28 o   4.8210   0.6897   4.6720   1.0150   4.9710   0.9344 -0.2994000 1.379000 
1 1 1  -12   12   29 o   8.2290   0.4071   8.5170   0.5728   7.9410   0.5785 0.5760000 0.8141000 
1 1 1  -12   12   30 o   7.3650   0.4331   7.4320   0.5860   7.2990   0.6380 0.1332000 0.8662000 
1 1 1  -12   12   31 o   2.1490   0.6719   1.6550   0.8049   2.6420   1.0760 -0.9868000 1.344000 
1 1 1  -12   14    1 o   55.530   0.2929   55.220   0.4120   55.840   0.4164 -0.6139000 0.5857000 
1 1 1  -12   14    2 o   30.240   0.1924   30.020   0.2699   30.460   0.2744 -0.4370000 0.3849000 
1 1 1  -12   14    3 o   51.090   0.2732   50.830   0.3842   51.350   0.3884 -0.5274000 0.5464000 
1 1 1  -12   14    4 o   20.340   0.1797   20.390   0.2527   20.280   0.2557 0.1059000 0.3595000 
1 1 1  -12   14    5 o   17.940   0.1830   18.100   0.2558   17.780   0.2617 0.3221000 0.3660000 
1 1 1  -12   14    6 o   50.110   0.2910   50.100   0.4401   50.110   0.3809 -0.2079000E-02 0.5820000 
1 1 1  -12   14    7 o   17.380   0.2446   17.790   0.3717   16.960   0.3182 0.8267000 0.4893000 
1 1 1  -12   14    8 o   27.510   0.2454   27.650   0.3783   27.380   0.3127 0.2707000 0.4908000 
1 1 1  -12   14    9 o   42.630   0.3099   42.440   0.4786   42.820   0.3937 -0.3750000 0.6197000 
1 1 1  -12   14   10 o   14.040   0.2521   14.340   0.3553   13.730   0.3578 0.6142000 0.5043000 
1 1 1  -12   14   11 o   17.610   0.2316   17.620   0.3292   17.600   0.3257 0.2979000E-01 0.4631000 
1 1 1  -12   14   12 o   12.040   0.3257   11.710   0.5031   12.360   0.4136 -0.6491000 0.6513000 
1 1 1  -12   14   13 o   30.310   0.2647   30.330   0.4045   30.290   0.3415 0.4370000E-01 0.5294000 
1 1 1  -12   14   14 o   15.260   0.2647   14.800   0.3688   15.720   0.3798 -0.9205000 0.5294000 
1 1 1  -12   14   15 o   22.940   0.2255   22.600   0.3195   23.280   0.3182 -0.6850000 0.4509000 
1 1 1  -12   14   16 o   31.400   0.2954   31.530   0.4223   31.270   0.4131 0.2559000 0.5908000 
1 1 1  -12   14   17 o   10.660   0.3982   10.870   0.5809   10.460   0.5449 0.4079000 0.7965000 
1 1 1  -12   14   18 o   15.150   0.2589   15.300   0.3654   15.000   0.3670 0.3065000 0.5179000 
1 1 1  -12   14   19 o   11.040   0.3420   10.700   0.4514   11.370   0.5139 -0.6746000 0.6840000 
1 1 1  -12   14   20 o   19.920   0.2335   20.040   0.3283   19.790   0.3323 0.2506000 0.4671000 
1 1 1  -12   14   21 o   10.140   0.3366   10.280   0.4778   9.9900   0.4741 0.2942000 0.6731000 
1 1 1  -12   14   22 o   18.240   0.2639   18.630   0.4034   17.840   0.3402 0.7921000 0.5277000 
1 1 1  -12   14   23 o   12.040   0.3237   11.790   0.5011   12.290   0.4100 -0.5016000 0.6474000 
1 1 1  -12   14   24 o   12.570   0.2917   12.420   0.4238   12.720   0.4009 -0.2938000 0.5834000 
1 1 1  -12   14   25 o   8.7610   0.3914   8.4820   0.5900   9.0400   0.5145 -0.5585000 0.7828000 
1 1 1  -12   14   26 o   4.4260   0.8281   5.6620   1.0920   3.1890   1.2450 2.473000 1.656000 
1 1 1  -12   14   27 o   3.0890   0.8002   3.0310   1.1470   3.1460   1.1160 -0.1154000 1.600000 
1 1 1  -12   14   28 o   2.3210   0.7312   2.7900   1.1700   1.8520   0.8776 0.9372000 1.462000 
1 1 1  -12   14   29 o   6.5260   0.5330   6.4650   0.7913   6.5870   0.7143 -0.1222000 1.066000 
1 1 1  -12   14   30 o   7.3640   0.5098   7.3040   0.7691   7.4240   0.6695 -0.1195000 1.020000 
1 1 1  -12   16    1 o   22.210   0.1892   22.170   0.2655   22.250   0.2697 -0.8050000E-01 0.3784000 
1 1 1  -12   16    2 o   27.560   0.1946   27.520   0.2740   27.600   0.2763 -0.7991000E-01 0.3892000 
1 1 1  -12   16    3 o   20.180   0.1903   20.170   0.2678   20.200   0.2704 -0.2252000E-01 0.3806000 
1 1 1  -12   16    4 o   26.600   0.1927   26.840   0.2727   26.360   0.2723 0.4774000 0.3853000 
1 1 1  -12   16    5 f   15.680   0.2088   16.110   0.2898   15.250   0.3008 0.8629000 0.4176000 
1 1 1  -12   16    6 o   27.820   0.2133   27.640   0.3226   28.010   0.2789 -0.3742000 0.4265000 
1 1 1  -12   16    7 o   34.780   0.2778   34.600   0.4294   34.960   0.3526 -0.3524000 0.5556000 
1 1 1  -12   16    8 o   50.030   0.3537   49.670   0.5461   50.390   0.4498 -0.7257000 0.7075000 
1 1 1  -12   16    9 o   24.090   0.2528   23.980   0.3911   24.200   0.3206 -0.2154000 0.5057000 
1 1 1  -12   16   10 o   17.740   0.2264   17.280   0.3435   18.190   0.2950 -0.9130000 0.4528000 
1 1 1  -12   16   11 o   3.4830   0.7252   4.3950   1.0330   2.5720   1.0180 1.822000 1.450000 
1 1 1  -12   16   12 o   31.740   0.2419   31.770   0.3432   31.700   0.3410 0.7349000E-01 0.4838000 
1 1 1  -12   16   13 o   4.9860   0.8110   5.2080   1.1460   4.7650   1.1480 0.4431000 1.622000 
1 1 1  -12   16   14 o   20.250   0.2903   19.870   0.4118   20.620   0.4095 -0.7544000 0.5807000 
1 1 1  -12   16   15 o   8.7360   0.4026   8.9590   0.5287   8.5120   0.6074 0.4476000 0.8053000 
1 1 1  -12   16   16 o   8.9870   0.3835   9.1380   0.5131   8.8370   0.5700 0.3009000 0.7669000 
1 1 1  -12   16   17 o   2.2550   0.7135   2.0380   0.9319   2.4730   1.0810 -0.4343000 1.427000 
1 1 1  -12   16   18 o   14.330   0.2671   14.270   0.3791   14.380   0.3765 -0.1098000 0.5343000 
1 1 1  -12   16   19 o   15.530   0.2571   15.450   0.3644   15.610   0.3627 -0.1651000 0.5141000 
1 1 1  -12   16   20 o   7.7620   0.4575   8.0710   0.6701   7.4520   0.6232 0.6186000 0.9151000 
1 1 1  -12   16   21 f   10.750   0.3526   10.960   0.5302   10.540   0.4650 0.4171000 0.7053000 
1 1 1  -12   16   22 o   6.4790   0.4955   6.5890   0.7051   6.3690   0.6964 0.2197000 0.9910000 
1 1 1  -12   16   23 o   5.2680   0.6206   4.9300   0.9561   5.6070   0.7914 -0.6769000 1.241000 
1 1 1  -12   16   24 o   7.4030   0.6355   9.0110   0.6777   5.7950   1.0750 3.216000 1.271000 
1 1 1  -12   16   25 o   6.4840   0.6453   6.3540   0.8938   6.6130   0.9310 -0.2596000 1.291000 
1 1 1  -12   16   26 o   3.0210   0.7876   2.7730   1.1150   3.2680   1.1130 -0.4946000 1.575000 
1 1 1  -12   16   27 o   4.0190   0.8247   3.5200   1.2770   4.5180   1.0440 -0.9977000 1.649000 
1 1 1  -12   16   28 o   8.2960   0.4353   7.7050   0.6654   8.8880   0.5615 -1.183000 0.8707000 
1 1 1  -12   16   29 o   2.0940   0.7037   2.0380   0.9832   2.1490   1.0070 -0.1103000 1.407000 
1 1 1  -12   18    1 o   20.260   0.2041   20.580   0.2866   19.940   0.2906 0.6344000 0.4082000 
1 1 1  -12   18    2 o   14.730   0.2325   14.940   0.3253   14.520   0.3324 0.4187000 0.4651000 
1 1 1  -12   18    3 o   37.790   0.2291   37.930   0.3238   37.660   0.3243 0.2694000 0.4583000 
1 1 1  -12   18    4 o   7.3550   0.4043   6.9750   0.5963   7.7360   0.5463 -0.7605000 0.8087000 
1 1 1  -12   18    5 o   34.720   0.2357   34.930   0.3555   34.510   0.3096 0.4162000 0.4715000 
1 1 1  -12   18    6 f   20.010   0.2216   19.870   0.3353   20.150   0.2898 -0.2751000 0.4431000 
1 1 1  -12   18    7 o   5.4080   0.5843   5.6540   0.8432   5.1610   0.8091 0.4926000 1.169000 
1 1 1  -12   18    8 o   28.640   0.2568   29.240   0.4228   28.030   0.2916 1.203000 0.5136000 
1 1 1  -12   18    9 f   21.350   0.2683   21.800   0.4209   20.910   0.3328 0.8856000 0.5365000 
1 1 1  -12   18   10 o   17.190   0.2816   16.800   0.4415   17.590   0.3496 -0.7927000 0.5632000 
1 1 1  -12   18   11 o   5.6600   0.5578   5.4950   0.8594   5.8250   0.7113 -0.3298000 1.116000 
1 1 1  -12   18   12 o   19.920   0.2209   20.130   0.3308   19.700   0.2927 0.4299000 0.4417000 
1 1 1  -12   18   13 o   23.640   0.2189   23.820   0.3311   23.450   0.2863 0.3648000 0.4377000 
1 1 1  -12   18   14 o   15.040   0.2888   15.240   0.3695   14.840   0.4440 0.3993000 0.5776000 
1 1 1  -12   18   15 o   11.600   0.3387   11.540   0.4383   11.660   0.5165 -0.1242000 0.6774000 
1 1 1  -12   18   16 o   11.530   0.3205   11.710   0.4389   11.340   0.4672 0.3678000 0.6410000 
1 1 1  -12   18   17 o   9.3940   0.3695   9.5580   0.5037   9.2310   0.5407 0.3275000 0.7389000 
1 1 1  -12   18   18 o   12.480   0.3232   12.070   0.4960   12.900   0.4145 -0.8256000 0.6464000 
1 1 1  -12   18   19 f   8.4240   0.4446   7.9940   0.7056   8.8540   0.5411 -0.8598000 0.8891000 
1 1 1  -12   18   20 o   16.710   0.2557   16.430   0.3644   17.000   0.3589 -0.5778000 0.5115000 
1 1 1  -12   18   21 o   2.4850   0.7074   1.8240   0.8667   3.1470   1.1180 -1.323000 1.415000 
1 1 1  -12   18   22 o   8.7470   0.4938   8.3280   0.7009   9.1660   0.6959 -0.8383000 0.9877000 
1 1 1  -12   18   23 o   8.7790   0.5066   8.3550   0.7221   9.2030   0.7107 -0.8477000 1.013000 
1 1 1  -12   18   24 o   3.2770   0.8255   3.3900   1.1780   3.1640   1.1560 0.2258000 1.651000 
1 1 1  -12   18   25 o   6.5300   0.5953   6.8520   0.8943   6.2090   0.7859 0.6431000 1.191000 
1 1 1  -12   18   26 o   6.1190   0.5774   5.7850   0.8617   6.4530   0.7688 -0.6679000 1.155000 
1 1 1  -12   18   27 o   3.8340   0.7927   3.0880   1.1740   4.5790   1.0650 -1.491000 1.585000 
1 1 1  -12   18   28 o   5.0730   0.8684   5.4850   1.2320   4.6610   1.2250 0.8243000 1.737000 
1 1 1  -12   20    1 o   5.6150   0.5352   5.9870   0.7019   5.2420   0.8081 0.7445000 1.070000 
1 1 1  -12   20    2 o   17.180   0.2192   17.270   0.3094   17.080   0.3107 0.1895000 0.4385000 
1 1 1  -12   20    3 o   8.2630   0.3640   8.3410   0.5110   8.1840   0.5185 0.1572000 0.7280000 
1 1 1  -12   20    4 o   16.730   0.2187   16.870   0.3078   16.600   0.3107 0.2683000 0.4373000 
1 1 1  -12   20    5 o   4.3170   0.6718   4.0390   0.9864   4.5940   0.9123 -0.5548000 1.344000 
1 1 1  -12   20    6 o   9.5410   0.3421   9.3650   0.5262   9.7170   0.4371 -0.3514000 0.6841000 
1 1 1  -12   20    7 o   6.5960   0.4876   6.1800   0.7773   7.0130   0.5890 -0.8332000 0.9752000 
1 1 1  -12   20    8 o   17.310   0.2396   17.510   0.3606   17.120   0.3157 0.3926000 0.4792000 
1 1 1  -12   20    9 o   18.540   0.2486   18.380   0.3577   18.710   0.3454 -0.3344000 0.4973000 
1 1 1  -12   20   10 o   13.280   0.2834   13.380   0.4010   13.180   0.4006 0.1979000 0.5668000 
1 1 1  -12   20   11 f   15.350   0.2619   15.430   0.3706   15.270   0.3702 0.1622000 0.5238000 
1 1 1  -12   20   12 o   5.4000   0.5787   6.1170   0.7624   4.6830   0.8707 1.434000 1.157000 
1 1 1  -12   20   13 o   16.730   0.2346   16.670   0.3553   16.790   0.3064 -0.1228000 0.4692000 
1 1 1  -12   20   14 o   1.9500   0.6320   2.3900   1.0240   1.5110   0.7416 0.8791000 1.264000 
1 1 1  -12   20   15 o   15.510   0.2490   15.340   0.3797   15.670   0.3221 -0.3209000 0.4979000 
1 1 1  -12   20   16 o   19.070   0.2708   19.400   0.4127   18.750   0.3508 0.6512000 0.5416000 
1 1 1  -12   20   17 o   3.2310   0.7429   2.1400   0.9939   4.3230   1.1040 -2.183000 1.486000 
1 1 1  -12   20   18 o   2.0950   0.6755   2.2020   0.9829   1.9870   0.9267 0.2154000 1.351000 
1 1 1  -12   20   19 o   2.4010   0.7235   2.7310   1.0870   2.0710   0.9556 0.6600000 1.447000 
1 1 1  -12   20   20 o   14.130   0.3730   14.200   0.5071   14.070   0.5471 0.1328000 0.7459000 
1 1 1  -12   20   21 o   3.1530   0.8154   2.9920   1.1450   3.3130   1.1620 -0.3210000 1.631000 
1 1 1  -12   20   22 o   7.6040   0.4847   7.5190   0.6843   7.6900   0.6866 -0.1708000 0.9694000 
1 1 1  -12   20   23 o   7.9330   0.5025   8.6490   0.7006   7.2170   0.7204 1.432000 1.005000 
1 1 1  -12   20   24 o   7.4980   0.4909   7.5090   0.6807   7.4870   0.7076 0.2157000E-01 0.9818000 
1 1 1  -12   20   25 o   2.0570   0.6790   2.0730   0.9625   2.0410   0.9579 0.3188000E-01 1.358000 
1 1 1  -12   20   26 o   2.2380   0.7420   2.0860   1.0090   2.3900   1.0880 -0.3040000 1.484000 
1 1 1  -12   22    1 o   7.9410   0.3729   8.0060   0.5214   7.8750   0.5334 0.1316000 0.7459000 
1 1 1  -12   22    2 o   13.970   0.2475   13.560   0.3583   14.370   0.3414 -0.8094000 0.4949000 
1 1 1  -12   22    3 f   12.550   0.2629   12.590   0.3728   12.510   0.3708 0.8772000E-01 0.5258000 
1 1 1  -12   22    4 o   16.060   0.2259   16.400   0.3167   15.710   0.3223 0.6913000 0.4519000 
1 1 1  -12   22    5 o   9.2810   0.3317   9.7120   0.4528   8.8500   0.4849 0.8623000 0.6634000 
1 1 1  -12   22    6 o   4.9280   0.6041   4.5870   0.8930   5.2700   0.8137 -0.6825000 1.208000 
1 1 1  -12   22    7 o   10.350   0.3789   10.960   0.6051   9.7260   0.4563 1.237000 0.7578000 
1 1 1  -12   22    8 o   5.2990   0.6368   4.5750   1.0750   6.0230   0.6828 -1.449000 1.274000 
1 1 1  -12   22    9 o   11.970   0.2980   11.250   0.4705   12.700   0.3659 -1.445000 0.5960000 
1 1 1  -12   22   10 o   14.020   0.2639   13.640   0.4051   14.390   0.3384 -0.7577000 0.5278000 
1 1 1  -12   22   11 o   7.4170   0.4191   6.9320   0.6634   7.9030   0.5122 -0.9715000 0.8382000 
1 1 1  -12   22   12 o   6.0300   0.5093   6.5310   0.7179   5.5290   0.7226 1.003000 1.019000 
1 1 1  -12   22   13 f   10.530   0.3469   10.550   0.5536   10.510   0.4180 0.4278000E-01 0.6937000 
1 1 1  -12   22   14 o   3.1190   0.7753   2.9210   1.1610   3.3180   1.0280 -0.3972000 1.551000 
1 1 1  -12   22   15 o   3.0310   0.7831   3.2970   1.1870   2.7660   1.0220 0.5311000 1.566000 
1 1 1  -12   22   16 o   8.1280   0.3872   8.1800   0.5816   8.0750   0.5112 0.1049000 0.7743000 
1 1 1  -12   22   17 o   4.7090   0.7863   4.6740   1.1640   4.7440   1.0570 -0.7005000E-01 1.573000 
1 1 1  -12   22   18 o   3.2830   0.8323   3.9180   1.2470   2.6490   1.1030 1.269000 1.665000 
1 1 1  -12   22   19 o   2.6100   0.7479   3.0830   1.1330   2.1380   0.9765 0.9449000 1.496000 
1 1 1  -12   22   20 o   5.4030   0.6544   5.6510   0.8840   5.1540   0.9650 0.4965000 1.309000 
1 1 1  -12   22   21 o   2.2760   0.7199   1.9340   0.9370   2.6180   1.0930 -0.6837000 1.440000 
1 1 1  -12   22   22 o   3.7840   0.6767   5.4460   0.9330   2.1220   0.9805 3.325000 1.353000 
1 1 1  -12   22   23 o   2.4400   0.7847   2.4310   1.1170   2.4490   1.1030 -0.1815000E-01 1.569000 
1 1 1  -12   22   24 o   2.0400   0.6967   2.1280   1.0200   1.9530   0.9495 0.1747000 1.393000 
1 1 1  -12   24    1 o   4.7420   0.6244   4.8730   0.8462   4.6120   0.9183 0.2609000 1.249000 
1 1 1  -12   24    2 o   13.030   0.2586   12.840   0.3688   13.210   0.3626 -0.3736000 0.5172000 
1 1 1  -12   24    3 o   7.9900   0.3701   8.0210   0.5189   7.9580   0.5280 0.6310000E-01 0.7403000 
1 1 1  -12   24    4 o   13.810   0.2434   13.690   0.3469   13.930   0.3416 -0.2385000 0.4869000 
1 1 1  -12   24    5 o   6.3610   0.4570   6.8040   0.5982   5.9190   0.6910 0.8844000 0.9140000 
1 1 1  -12   24    6 f   3.1590   0.7431   3.0180   1.0440   3.2990   1.0570 -0.2814000 1.486000 
1 1 1  -12   24    7 o   3.2080   0.7738   3.1550   1.1320   3.2610   1.0550 -0.1062000 1.548000 
1 1 1  -12   24    8 o   2.7150   0.7581   2.8320   1.1140   2.5990   1.0280 0.2330000 1.516000 
1 1 1  -12   24    9 o   8.0910   0.4124   8.2530   0.6222   7.9280   0.5416 0.3248000 0.8249000 
1 1 1  -12   24   10 o   11.020   0.3165   11.240   0.4796   10.800   0.4131 0.4316000 0.6329000 
1 1 1  -12   24   11 o   11.740   0.3299   11.570   0.5349   11.910   0.3864 -0.3396000 0.6599000 
1 1 1  -12   24   12 f   9.7710   0.4973   10.020   0.8281   9.5270   0.5510 0.4890000 0.9947000 
1 1 1  -12   24   13 o   5.5120   0.7067   6.4600   0.9071   4.5630   1.0840 1.898000 1.413000 
1 1 1  -12   24   14 o   3.1340   0.8339   2.9910   1.1980   3.2770   1.1600 -0.2861000 1.668000 
1 1 1  -12   24   15 o   6.7810   0.4586   7.0050   0.6784   6.5570   0.6174 0.4487000 0.9173000 
1 1 1  -12   24   16 o   3.1960   0.7662   2.8860   1.1110   3.5070   1.0560 -0.6206000 1.532000 
1 1 1  -12   24   17 o   3.3860   0.8189   3.4880   1.1520   3.2840   1.1650 0.2039000 1.638000 
1 1 1  -12   24   18 o   2.0070   0.6707   2.1820   1.0110   1.8330   0.8817 0.3493000 1.341000 
1 1 1  -12   24   19 o   6.7160   0.4967   7.1830   0.6886   6.2490   0.7161 0.9341000 0.9934000 
1 1 1  -12   24   20 o   5.6150   0.6760   5.2960   1.0050   5.9350   0.9048 -0.6394000 1.352000 
1 1 1  -12   24   21 f   4.0490   0.9390   4.0060   1.3430   4.0930   1.3130 -0.8684000E-01 1.878000 
1 1 1  -12   24   22 o   2.9520   0.7843   2.2760   1.0310   3.6270   1.1820 -1.351000 1.569000 
1 1 1  -12   26    1 o   2.8840   0.7418   2.1320   0.9679   3.6360   1.1240 -1.504000 1.484000 
1 1 1  -12   26    2 o   11.250   0.3328   11.060   0.4667   11.440   0.4745 -0.3746000 0.6656000 
1 1 1  -12   26    3 o   10.220   0.3580   10.310   0.4847   10.130   0.5269 0.1800000 0.7159000 
1 1 1  -12   26    4 o   3.7340   0.7815   4.2810   1.0620   3.1870   1.1460 1.093000 1.563000 
1 1 1  -12   26    5 o   3.1810   0.7976   3.2730   1.1180   3.0880   1.1380 0.1851000 1.595000 
1 1 1  -12   26    6 o   2.5230   0.7460   2.5330   1.0450   2.5140   1.0650 0.1849000E-01 1.492000 
1 1 1  -12   26    7 o   2.5650   0.7722   2.4660   1.0950   2.6650   1.0890 -0.1993000 1.544000 
1 1 1  -12   26    8 f   3.3030   0.8919   4.0310   1.4240   2.5740   1.0740 1.457000 1.784000 
1 1 1  -12   26    9 o   3.7460   0.7309   2.7720   1.1730   4.7200   0.8723 -1.948000 1.462000 
1 1 1  -12   26   10 o   1.9410   0.6548   2.3850   1.0830   1.4960   0.7361 0.8897000 1.310000 
1 1 1  -12   26   11 o   4.5880   0.6809   4.6360   1.0330   4.5400   0.8881 0.9544000E-01 1.362000 
1 1 1  -12   26   12 o   5.8390   0.5514   6.1280   0.7920   5.5500   0.7674 0.5778000 1.103000 
1 1 1  -12   26   13 o   9.0130   0.4540   8.6510   0.7233   9.3760   0.5491 -0.7249000 0.9081000 
1 1 1  -12   26   14 o   2.7290   0.7981   3.0920   1.2140   2.3660   1.0360 0.7259000 1.596000 
1 1 1  -12   26   15 o   3.1900   0.7890   3.1680   1.1530   3.2120   1.0780 -0.4402000E-01 1.578000 
1 1 1  -12   26   16 o   8.7770   0.3992   9.4540   0.5636   8.1000   0.5654 1.353000 0.7983000 
1 1 1  -12   26   17 o   3.0920   0.8324   2.6910   1.1800   3.4930   1.1740 -0.8020000 1.665000 
1 1 1  -12   26   18 o   2.7630   0.8207   3.2210   1.2770   2.3050   1.0310 0.9165000 1.641000 
1 1 1  -12   26   19 o   2.2440   0.6815   3.0280   1.1510   1.4610   0.7301 1.567000 1.363000 
1 1 1  -12   28    1 o   2.9980   0.7187   1.7940   0.8681   4.2030   1.1460 -2.409000 1.437000 
1 1 1  -12   28    2 o   2.9750   0.7874   3.5810   1.1730   2.3700   1.0510 1.211000 1.575000 
1 1 1  -12   28    3 o   3.2400   0.8186   3.3300   1.1610   3.1500   1.1540 0.1799000 1.637000 
1 1 1  -12   28    4 o   3.6540   0.8181   3.3180   1.1720   3.9900   1.1420 -0.6719000 1.636000 
1 1 1  -12   28    5 o   7.2530   0.5060   6.9280   0.7525   7.5790   0.6767 -0.6506000 1.012000 
1 1 1  -12   28    6 o   2.1740   0.7151   2.2180   1.0450   2.1310   0.9767 0.8753000E-01 1.430000 
1 1 1  -12   28    7 o   3.6430   0.8686   3.4000   1.2930   3.8860   1.1600 -0.4862000 1.737000 
1 1 1  -12   28    8 o   2.7850   0.7940   2.6410   1.1680   2.9290   1.0760 -0.2879000 1.588000 
1 1 1  -12   28    9 o   2.9870   0.6986   1.9800   0.9389   3.9950   1.0350 -2.015000 1.397000 
1 1 1  -12   28   10 o   2.5890   0.7538   2.5290   1.0900   2.6490   1.0420 -0.1193000 1.508000 
1 1 1  -12   28   11 o   2.2470   0.6983   2.0660   0.9640   2.4290   1.0110 -0.3629000 1.397000 
1 1 1  -12   28   12 o   5.5550   0.7649   5.3420   1.2450   5.7690   0.8884 -0.4265000 1.530000 
1 1 1  -12   28   13 f   2.7470   0.8170   2.6700   1.1860   2.8240   1.1240 -0.1540000 1.634000 
1 1 1  -12   28   14 o   2.2480   0.7111   2.4790   1.0650   2.0180   0.9430 0.4602000 1.422000 
1 1 1  -12   28   15 f   2.7440   0.7472   3.3690   1.1530   2.1180   0.9512 1.251000 1.494000 
1 1 1  -12   30    1 o   3.2230   0.8340   3.5780   1.2240   2.8690   1.1330 0.7081000 1.668000 
1 1 1  -12   30    2 o   2.1950   0.7066   1.9350   0.9308   2.4560   1.0630 -0.5204000 1.413000 
1 1 1  -12   30    3 o   2.6040   0.8330   2.7080   1.2810   2.5010   1.0650 0.2077000 1.666000 
1 1 1  -12   30    4 o   3.7610   0.9348   3.4400   1.4810   4.0830   1.1410 -0.6426000 1.870000 
1 1 1  -12   30    5 o   3.0050   0.8629   3.0610   1.2840   2.9490   1.1530 0.1124000 1.726000 
1 1 1  -12   30    6 o   3.2870   0.8406   4.2860   1.3310   2.2870   1.0280 1.999000 1.681000 
1 1 1  -12   30    7 o   3.5820   0.8153   3.6190   1.1940   3.5460   1.1100 0.7227000E-01 1.631000 
1 1 1  -12   30    8 o   2.0660   0.6762   2.4490   1.0780   1.6840   0.8168 0.7650000 1.352000 
1 1 1  -12   30    9 o   1.6900   0.5849   1.7780   0.8678   1.6020   0.7843 0.1764000 1.170000 
1 1 1  -11    1    1 f   48.110   0.2949   48.190   0.4822   48.030   0.3395 0.1637000 0.5897000 
1 1 1  -11    1    2 o   8.5890   0.1579  ?   ?    8.5890   0.1579      ?      ? 
1 1 1  -11    1    3 o   34.500   0.2009   34.210   0.2817   34.790   0.2865 -0.5849000 0.4018000 
1 1 1  -11    1    4 o   33.380   0.1828   33.550   0.2404   33.220   0.2755 0.3234000 0.3656000 
1 1 1  -11    1    5 o   33.430   0.1969   33.400   0.2783   33.460   0.2785 -0.6129000E-01 0.3938000 
1 1 1  -11    1    6 o   36.160   0.2616   36.360   0.3718   35.960   0.3682 0.4068000 0.5233000 
1 1 1  -11    1    7 o   68.380   0.3417   68.390   0.4835   68.360   0.4831 0.3104000E-01 0.6834000 
1 1 1  -11    1    8 o   34.630   0.1808   34.790   0.2568   34.470   0.2546 0.3166000 0.3616000 
1 1 1  -11    1    9 o   38.980   0.2025   39.010   0.2865   38.960   0.2862 0.4657000E-01 0.4049000 
1 1 1  -11    1   10 o   17.640   0.1345   17.660   0.2038   17.630   0.1756 0.3547000E-01 0.2691000 
1 1 1  -11    1   11 o   10.750   0.2031   10.480   0.2931   11.020   0.2813 -0.5417000 0.4063000 
1 1 1  -11    1   12 o   26.950   0.1575   26.560   0.2205   27.330   0.2250 -0.7776000 0.3151000 
1 1 1  -11    1   13 o   63.430   0.3222   63.690   0.4575   63.170   0.4538 0.5231000 0.6444000 
1 1 1  -11    1   14 o   47.650   0.2486   47.620   0.3515   47.670   0.3516 -0.5226000E-01 0.4972000 
1 1 1  -11    1   15 o   45.700   0.2414   45.580   0.3408   45.820   0.3420 -0.2346000 0.4828000 
1 1 1  -11    1   16 o   55.510   0.2881   55.690   0.4085   55.340   0.4063 0.3462000 0.5762000 
1 1 1  -11    1   17 o   33.280   0.1963   33.360   0.2778   33.200   0.2774 0.1622000 0.3925000 
1 1 1  -11    1   18 o   30.650   0.1903   30.810   0.2695   30.500   0.2689 0.3117000 0.3807000 
1 1 1  -11    1   19 o   24.450   0.2593   24.220   0.3658   24.680   0.3677 -0.4596000 0.5186000 
1 1 1  -11    1   20 o   3.3770   0.7418   3.1390   1.0670   3.6150   1.0310 -0.4753000 1.484000 
1 1 1  -11    1   21 o   14.400   0.2171   14.370   0.3062   14.430   0.3079 -0.5405000E-01 0.4342000 
1 1 1  -11    1   22 o   39.310   0.2278   39.340   0.3231   39.280   0.3212 0.6448000E-01 0.4556000 
1 1 1  -11    1   23 o   9.0150   0.3198   8.8920   0.4293   9.1390   0.4741 -0.2476000 0.6396000 
1 1 1  -11    1   24 o   10.750   0.4428   10.620   0.5365   10.890   0.7045 -0.2719000 0.8855000 
1 1 1  -11    1   25 o   5.2480   0.5326   4.7580   0.7717   5.7380   0.7344 -0.9801000 1.065000 
1 1 1  -11    1   26 o   10.560   0.2857   10.870   0.3679   10.260   0.4374 0.6159000 0.5715000 
1 1 1  -11    1   27 o   4.5160   0.6338   4.6120   0.8257   4.4200   0.9617 0.1919000 1.268000 
1 1 1  -11    1   28 o   11.650   0.2761   11.160   0.3801   12.130   0.4005 -0.9718000 0.5521000 
1 1 1  -11    1   29 o   8.4550   0.3547   8.3630   0.4782   8.5480   0.5240 -0.1850000 0.7094000 
1 1 1  -11    1   30 o   5.5940   0.5380   5.5660   0.7243   5.6210   0.7956 -0.5455000E-01 1.076000 
1 1 1  -11    1   31 o   4.6500   0.8141   5.4150   1.0430   3.8860   1.2500 1.529000 1.628000 
1 1 1  -11    1   32 o   10.060   0.3283   10.340   0.4286   9.7780   0.4974 0.5658000 0.6566000 
1 1 1  -11    1   33 o   3.0830   0.7635   3.3890   1.0620   2.7780   1.0970 0.6118000 1.527000 
1 1 1  -11    1   34 o   2.9930   0.7745   2.3060   1.0590   3.6800   1.1300 -1.375000 1.549000 
1 1 1  -11    3    1 o   19.270   0.1256   19.540   0.1792   19.000   0.1762 0.5415000 0.2513000 
1 1 1  -11    3    2 o   41.190   0.2405   41.530   0.3429   40.840   0.3373 0.6905000 0.4810000 
1 1 1  -11    3    3 o   23.160   0.1635   23.250   0.2546   23.060   0.2052 0.1945000 0.3270000 
1 1 1  -11    3    4 o   37.090   0.2694   37.340   0.3827   36.840   0.3791 0.4925000 0.5387000 
1 1 1  -11    3    5 o   43.940   0.2886   43.720   0.4456   44.160   0.3668 -0.4475000 0.5772000 
1 1 1  -11    3    6 o  101.700   0.6541  101.700   1.0140  101.600   0.8264 0.1305000 1.308000 
1 1 1  -11    3    7 o   43.980   0.2604   44.350   0.3713   43.600   0.3652 0.7487000 0.5208000 
1 1 1  -11    3    8 o   26.980   0.1747   27.060   0.2478   26.910   0.2463 0.1469000 0.3493000 
1 1 1  -11    3    9 o   22.160   0.1572   21.760   0.2210   22.550   0.2237 -0.7908000 0.3144000 
1 1 1  -11    3   10 o   32.890   0.2315   32.700   0.2929   33.070   0.3586 -0.3689000 0.4630000 
1 1 1  -11    3   11 o   30.340   0.2198   30.330   0.2787   30.350   0.3399 -0.1952000E-01 0.4395000 
1 1 1  -11    3   12 o   25.930   0.1685   26.140   0.2220   25.720   0.2537 0.4162000 0.3371000 
1 1 1  -11    3   13 o   12.960   0.1655   12.820   0.2163   13.100   0.2505 -0.2891000 0.3310000 
1 1 1  -11    3   14 o   39.820   0.2323   39.710   0.3029   39.920   0.3522 -0.2044000 0.4645000 
1 1 1  -11    3   15 o   33.890   0.2084   33.950   0.2729   33.820   0.3150 0.1307000 0.4168000 
1 1 1  -11    3   16 o   23.720   0.1831   23.500   0.2390   23.930   0.2774 -0.4291000 0.3662000 
1 1 1  -11    3   17 o   39.630   0.2562   39.930   0.3657   39.330   0.3588 0.6049000 0.5124000 
1 1 1  -11    3   18 o   52.230   0.3398   51.900   0.3899   52.560   0.5567 -0.6631000 0.6797000 
1 1 1  -11    3   19 o   38.550   0.3135   38.410   0.4397   38.690   0.4469 -0.2732000 0.6270000 
1 1 1  -11    3   20 o   34.320   0.2263   34.400   0.2954   34.240   0.3429 0.1624000 0.4526000 
1 1 1  -11    3   21 o   19.880   0.2037   20.000   0.2694   19.760   0.3055 0.2342000 0.4073000 
1 1 1  -11    3   22 o   17.950   0.2068   18.190   0.2726   17.720   0.3111 0.4772000 0.4136000 
1 1 1  -11    3   23 o   13.550   0.2814   13.530   0.3716   13.580   0.4227 -0.5797000E-01 0.5628000 
1 1 1  -11    3   24 o   8.7140   0.3952   8.6850   0.5061   8.7430   0.6071 -0.5815000E-01 0.7904000 
1 1 1  -11    3   25 o   20.570   0.2071   20.710   0.2696   20.430   0.3144 0.2835000 0.4142000 
1 1 1  -11    3   26 o   9.9920   0.3002   9.6350   0.4026   10.350   0.4454 -0.7144000 0.6004000 
1 1 1  -11    3   27 f   12.030   0.2693   12.210   0.3545   11.860   0.4054 0.3486000 0.5385000 
1 1 1  -11    3   28 o   2.8080   0.6736   1.8460   0.8484   3.7700   1.0470 -1.924000 1.347000 
1 1 1  -11    3   29 o   5.0400   0.5855   4.9220   0.7864   5.1590   0.8676 -0.2373000 1.171000 
1 1 1  -11    3   30 o   6.7860   0.4535   7.0480   0.5675   6.5230   0.7074 0.5252000 0.9069000 
1 1 1  -11    3   31 o   13.160   0.3551   13.240   0.4953   13.070   0.5090 0.1700000 0.7102000 
1 1 1  -11    3   32 o   2.1800   0.6823   2.2530   0.9703   2.1060   0.9594 0.1468000 1.365000 
1 1 1  -11    3   33 o   5.5190   0.7022   6.1750   0.9933   4.8630   0.9927 1.312000 1.404000 
1 1 1  -11    3   34 o   2.6020   0.7853   2.6510   1.1610   2.5520   1.0580 0.9894000E-01 1.571000 
1 1 1  -11    5    1 o   48.820   0.2873   48.790   0.4059   48.840   0.4068 -0.4504000E-01 0.5747000 
1 1 1  -11    5    2 o   53.220   0.3113   52.760   0.4366   53.680   0.4440 -0.9163000 0.6227000 
1 1 1  -11    5    3 o   42.670   0.2536   42.560   0.3576   42.790   0.3596 -0.2259000 0.5071000 
1 1 1  -11    5    4 o   50.530   0.2777   50.500   0.4199   50.560   0.3635 -0.5927000E-01 0.5553000 
1 1 1  -11    5    5 o   36.650   0.2230   36.730   0.3163   36.580   0.3144 0.1568000 0.4460000 
1 1 1  -11    5    6 o   15.660   0.1623   16.160   0.2028   15.170   0.2535 0.9902000 0.3246000 
1 1 1  -11    5    7 o   24.270   0.1876   23.580   0.2334   24.960   0.2937 -1.378000 0.3752000 
1 1 1  -11    5    8 o   20.080   0.1936   19.840   0.2763   20.320   0.2714 -0.4836000 0.3873000 
1 1 1  -11    5    9 o   20.290   0.1953   20.100   0.2776   20.470   0.2747 -0.3725000 0.3905000 
1 1 1  -11    5   10 o   36.270   0.2780   36.020   0.3919   36.530   0.3943 -0.5142000 0.5559000 
1 1 1  -11    5   11 o   36.090   0.2274   35.800   0.3200   36.390   0.3232 -0.5909000 0.4548000 
1 1 1  -11    5   12 o   34.030   0.2194   33.850   0.3095   34.210   0.3109 -0.3621000 0.4387000 
1 1 1  -11    5   13 o   40.160   0.2508   40.260   0.3552   40.070   0.3541 0.1885000 0.5016000 
1 1 1  -11    5   14 f   21.580   0.1844   21.450   0.2621   21.700   0.2595 -0.2453000 0.3688000 
1 1 1  -11    5   15 o   34.910   0.2322   34.220   0.3239   35.600   0.3327 -1.377000 0.4644000 
1 1 1  -11    5   16 o   45.380   0.2648   45.390   0.3462   45.380   0.4006 0.1003000E-01 0.5295000 
1 1 1  -11    5   17 o   46.420   0.2898   46.540   0.4117   46.300   0.4078 0.2425000 0.5795000 
1 1 1  -11    5   18 o   24.690   0.3784   24.690   0.3784  ?   ?       ?      ? 
1 1 1  -11    5   19 o   15.030   0.2551   14.830   0.3597   15.220   0.3617 -0.3982000 0.5101000 
1 1 1  -11    5   20 o   22.030   0.2042   21.850   0.2664   22.220   0.3095 -0.3748000 0.4084000 
1 1 1  -11    5   21 o   10.860   0.2752   10.950   0.3615   10.760   0.4150 0.1860000 0.5504000 
1 1 1  -11    5   22 o   24.890   0.2042   24.640   0.2703   25.150   0.3062 -0.5121000 0.4084000 
1 1 1  -11    5   23 o   18.070   0.3217   18.420   0.4035   17.720   0.5011 0.7017000 0.6434000 
1 1 1  -11    5   24 o   9.9730   0.2975   10.200   0.3926   9.7510   0.4470 0.4445000 0.5949000 
1 1 1  -11    5   25 o   5.9170   0.4925   6.1640   0.6213   5.6700   0.7644 0.4942000 0.9851000 
1 1 1  -11    5   26 o   5.8920   0.4842   5.5970   0.6774   6.1870   0.6921 -0.5898000 0.9684000 
1 1 1  -11    5   27 o   11.450   0.2751   11.180   0.3732   11.720   0.4044 -0.5412000 0.5503000 
1 1 1  -11    5   28 o   5.6330   0.5184   5.6410   0.6844   5.6260   0.7789 0.1428000E-01 1.037000 
1 1 1  -11    5   29 o   8.7180   0.3496   8.3830   0.4732   9.0530   0.5147 -0.6701000 0.6991000 
1 1 1  -11    5   30 o   6.1230   0.6160   5.4870   0.8564   6.7580   0.8856 -1.271000 1.232000 
1 1 1  -11    5   31 o   3.9430   0.7050   5.2240   0.9036   2.6620   1.0820 2.562000 1.410000 
1 1 1  -11    5   32 o   5.3700   0.7181   5.0630   1.1540   5.6780   0.8552 -0.6152000 1.436000 
1 1 1  -11    5   33 f   2.1290   0.6866   1.9270   0.9120   2.3320   1.0270 -0.4055000 1.373000 
1 1 1  -11    5   34 o   4.9460   1.6950   4.9460   1.6950  ?   ?       ?      ? 
1 1 1  -11    7    1 o   7.5540   0.1806   7.7120   0.2543   7.3960   0.2565 0.3160000 0.3612000 
1 1 1  -11    7    2 o   9.2940   0.1572   9.4010   0.2233   9.1860   0.2212 0.2145000 0.3143000 
1 1 1  -11    7    3 o   42.240   0.2210   42.530   0.3146   41.960   0.3106 0.5654000 0.4421000 
1 1 1  -11    7    4 f   15.750   0.1863   15.330   0.2645   16.170   0.2623 -0.8369000 0.3725000 
1 1 1  -11    7    5 o   6.6560   0.2813   6.7600   0.4437   6.5530   0.3459 0.2078000 0.5626000 
1 1 1  -11    7    6 o   4.4090   0.4679   4.5230   0.6547   4.2940   0.6687 0.2294000 0.9358000 
1 1 1  -11    7    7 o   26.850   0.1849   27.190   0.2633   26.520   0.2596 0.6725000 0.3697000 
1 1 1  -11    7    8 o   2.5640   0.6046   2.7870   0.8243   2.3400   0.8847 0.4465000 1.209000 
1 1 1  -11    7    9 o   18.850   0.1864   18.870   0.2386   18.820   0.2865 0.5324000E-01 0.3728000 
1 1 1  -11    7   10 o   21.760   0.1753   21.670   0.2484   21.860   0.2475 -0.1972000 0.3507000 
1 1 1  -11    7   11 o   42.090   0.2614   42.220   0.3713   41.970   0.3681 0.2407000 0.5228000 
1 1 1  -11    7   12 o   29.210   0.2050   29.300   0.2921   29.110   0.2876 0.1893000 0.4099000 
1 1 1  -11    7   13 o   40.710   0.2574   40.780   0.3651   40.630   0.3630 0.1474000 0.5148000 
1 1 1  -11    7   14 o   21.620   0.1958   21.950   0.2787   21.290   0.2751 0.6666000 0.3917000 
1 1 1  -11    7   15 o   24.400   0.2050   24.530   0.2931   24.280   0.2868 0.2488000 0.4101000 
1 1 1  -11    7   16 o   53.550   0.3267   53.520   0.4624   53.590   0.4618 -0.7158000E-01 0.6535000 
1 1 1  -11    7   17 o   28.330   0.2718   28.480   0.3878   28.190   0.3808 0.2939000 0.5435000 
1 1 1  -11    7   18 o   16.920   0.2681   16.670   0.4188   17.170   0.3347 -0.5052000 0.5361000 
1 1 1  -11    7   19 o   23.330   0.2234   23.560   0.3200   23.090   0.3117 0.4732000 0.4467000 
1 1 1  -11    7   20 o   36.940   0.2540   37.210   0.3636   36.670   0.3548 0.5378000 0.5080000 
1 1 1  -11    7   21 o   14.160   0.2301   13.970   0.3097   14.350   0.3403 -0.3738000 0.4601000 
1 1 1  -11    7   22 o   13.980   0.2783   14.250   0.3602   13.720   0.4243 0.5280000 0.5566000 
1 1 1  -11    7   23 o   20.110   0.2481   20.110   0.3204   20.110   0.3788 0.4204000E-02 0.4961000 
1 1 1  -11    7   24 o   7.5870   0.3736   7.2120   0.5281   7.9620   0.5285 -0.7500000 0.7471000 
1 1 1  -11    7   25 o   19.700   0.2129   19.660   0.2838   19.750   0.3174 -0.9650000E-01 0.4258000 
1 1 1  -11    7   26 o   9.4800   0.3169   9.4110   0.4278   9.5490   0.4676 -0.1381000 0.6338000 
1 1 1  -11    7   27 o   9.7540   0.3120   10.140   0.4035   9.3710   0.4759 0.7658000 0.6240000 
1 1 1  -11    7   28 o   3.2560   0.7080   2.4700   0.9859   4.0430   1.0170 -1.573000 1.416000 
1 1 1  -11    7   29 o   2.9030   0.7514   2.9430   1.0370   2.8630   1.0880 0.7975000E-01 1.503000 
1 1 1  -11    7   30 o   6.9910   0.7368   6.6180   1.2030   7.3650   0.8508 -0.7467000 1.474000 
1 1 1  -11    7   31 o   4.1440   0.7205   2.7530   1.1590   5.5360   0.8567 -2.783000 1.441000 
1 1 1  -11    7   32 o   4.4330   0.7059   5.1840   0.8350   3.6820   1.1380 1.502000 1.412000 
1 1 1  -11    7   33 o   2.7440   0.7605   2.9570   1.0800   2.5310   1.0720 0.4257000 1.521000 
1 1 1  -11    9    1 o   12.150   0.1858   12.260   0.2632   12.040   0.2623 0.2190000 0.3716000 
1 1 1  -11    9    2 o   22.940   0.1759   23.110   0.2496   22.770   0.2478 0.3349000 0.3518000 
1 1 1  -11    9    3 o   4.9550   0.3687   5.0640   0.5067   4.8460   0.5357 0.2179000 0.7374000 
1 1 1  -11    9    4 o   22.190   0.1737   22.440   0.2465   21.940   0.2448 0.5034000 0.3474000 
1 1 1  -11    9    5 o   23.810   0.1798   23.810   0.2545   23.820   0.2541 -0.1014000E-01 0.3596000 
1 1 1  -11    9    6 o   33.240   0.2167   33.120   0.3062   33.350   0.3067 -0.2328000 0.4334000 
1 1 1  -11    9    7 o   23.450   0.1818   23.300   0.2561   23.610   0.2581 -0.3112000 0.3636000 
1 1 1  -11    9    8 o   24.340   0.1863   24.570   0.2645   24.100   0.2625 0.4761000 0.3726000 
1 1 1  -11    9    9 o   36.410   0.2358   36.570   0.3339   36.260   0.3331 0.3115000 0.4716000 
1 1 1  -11    9   10 o   29.510   0.2089   29.550   0.2938   29.460   0.2970 0.9820000E-01 0.4178000 
1 1 1  -11    9   11 o   53.840   0.3255   53.710   0.4594   53.960   0.4612 -0.2499000 0.6510000 
1 1 1  -11    9   12 o   46.280   0.2872   46.140   0.4054   46.430   0.4069 -0.2939000 0.5743000 
1 1 1  -11    9   13 o   54.760   0.3323   54.740   0.4704   54.780   0.4694 -0.4240000E-01 0.6645000 
1 1 1  -11    9   14 o   30.140   0.2207   29.980   0.3146   30.310   0.3095 -0.3332000 0.4413000 
1 1 1  -11    9   15 o   11.990   0.4630  ?   ?    11.990   0.4630      ?      ? 
1 1 1  -11    9   16 o   35.750   0.2790   35.390   0.3549   36.120   0.4306 -0.7374000 0.5580000 
1 1 1  -11    9   17 o   29.240   0.2562   29.140   0.3963   29.340   0.3247 -0.1982000 0.5123000 
1 1 1  -11    9   18 o   13.230   0.2761   13.060   0.3964   13.390   0.3845 -0.3227000 0.5522000 
1 1 1  -11    9   19 o   17.430   0.2313   17.370   0.3299   17.480   0.3244 -0.1028000 0.4627000 
1 1 1  -11    9   20 f   51.910   0.3251   52.040   0.4615   51.780   0.4579 0.2541000 0.6501000 
1 1 1  -11    9   21 o   5.3570   0.7251   5.0910   1.1150   5.6240   0.9277 -0.5323000 1.450000 
1 1 1  -11    9   22 o   14.000   0.2780   14.220   0.3602   13.780   0.4236 0.4414000 0.5560000 
1 1 1  -11    9   23 o   5.9310   0.5157   5.6930   0.7671   6.1690   0.6895 -0.4756000 1.031000 
1 1 1  -11    9   24 o   10.800   0.3057   10.370   0.4454   11.230   0.4189 -0.8526000 0.6115000 
1 1 1  -11    9   25 o   7.0430   0.4177   6.7310   0.5814   7.3550   0.5997 -0.6245000 0.8353000 
1 1 1  -11    9   26 o   4.9270   0.5919   5.2840   0.7269   4.5710   0.9344 0.7126000 1.184000 
1 1 1  -11    9   27 o   7.7610   0.3808   7.2710   0.5492   8.2520   0.5277 -0.9812000 0.7616000 
1 1 1  -11    9   28 o   2.4820   0.7355   2.4620   1.0450   2.5030   1.0360 -0.4051000E-01 1.471000 
1 1 1  -11    9   29 o   12.270   0.4422   12.800   0.6812   11.750   0.5640 1.050000 0.8844000 
1 1 1  -11    9   30 o   3.1210   0.7953   2.9690   1.1320   3.2720   1.1170 -0.3034000 1.591000 
1 1 1  -11    9   31 o   1.8910   0.6244   1.5920   0.7765   2.1910   0.9780 -0.5992000 1.249000 
1 1 1  -11    9   32 o   3.1140   0.7585   2.5100   1.0320   3.7170   1.1120 -1.207000 1.517000 
1 1 1  -11    9   33 f   2.5870   1.2370   2.5870   1.2370  ?   ?       ?      ? 
1 1 1  -11   11    1 o   14.090   0.1677   13.920   0.2361   14.260   0.2383 -0.3369000 0.3354000 
1 1 1  -11   11    2 f   12.270   0.1949   12.140   0.2966   12.390   0.2530 -0.2530000 0.3898000 
1 1 1  -11   11    3 o   26.080   0.1685   26.080   0.2377   26.090   0.2388 -0.8556000E-02 0.3370000 
1 1 1  -11   11    4 o   12.680   0.1782   12.830   0.2499   12.530   0.2540 0.2968000 0.3564000 
1 1 1  -11   11    5 o   8.3150   0.2603   8.2330   0.3919   8.3970   0.3428 -0.1646000 0.5206000 
1 1 1  -11   11    6 o   28.470   0.2054   28.130   0.2892   28.810   0.2918 -0.6768000 0.4109000 
1 1 1  -11   11    7 o   21.320   0.2125   21.180   0.3311   21.470   0.2663 -0.2938000 0.4249000 
1 1 1  -11   11    8 o   28.870   0.2093   28.860   0.2961   28.880   0.2958 -0.1406000E-01 0.4185000 
1 1 1  -11   11    9 o   25.570   0.2016   25.470   0.2854   25.670   0.2847 -0.1972000 0.4032000 
1 1 1  -11   11   10 o   60.480   0.3634   60.600   0.5148   60.360   0.5131 0.2422000 0.7268000 
1 1 1  -11   11   11 o   43.980   0.2797   44.290   0.3974   43.680   0.3936 0.6122000 0.5593000 
1 1 1  -11   11   12 o   72.680   0.4304   72.070   0.6040   73.290   0.6134 -1.220000 0.8608000 
1 1 1  -11   11   13 o   48.520   0.3726   48.150   0.5243   48.880   0.5295 -0.7378000 0.7452000 
1 1 1  -11   11   14 o   20.250   0.2679   20.280   0.3813   20.210   0.3764 0.7150000E-01 0.5358000 
1 1 1  -11   11   15 o   22.000   0.2441   21.950   0.3757   22.040   0.3116 -0.9432000E-01 0.4881000 
1 1 1  -11   11   16 o   28.410   0.2531   28.340   0.3898   28.490   0.3229 -0.1554000 0.5062000 
1 1 1  -11   11   17 o   7.5110   0.4282   7.8860   0.5772   7.1350   0.6326 0.7510000 0.8564000 
1 1 1  -11   11   18 o   14.750   0.2762   14.870   0.4136   14.630   0.3660 0.2323000 0.5523000 
1 1 1  -11   11   19 o   14.700   0.3242   14.190   0.4957   15.220   0.4182 -1.039000 0.6485000 
1 1 1  -11   11   20 o   11.820   0.2997   11.500   0.4377   12.150   0.4096 -0.6458000 0.5995000 
1 1 1  -11   11   21 o   12.100   0.3182   11.690   0.4349   12.520   0.4645 -0.8279000 0.6363000 
1 1 1  -11   11   22 o   13.070   0.2749   13.100   0.3965   13.040   0.3808 0.5877000E-01 0.5497000 
1 1 1  -11   11   23 o   15.200   0.2526   15.520   0.3572   14.880   0.3573 0.6416000 0.5052000 
1 1 1  -11   11   24 o   5.0980   0.6257   6.0490   0.7356   4.1460   1.0120 1.903000 1.251000 
1 1 1  -11   11   25 o   3.2650   0.6976   4.4260   1.0260   2.1030   0.9457 2.323000 1.395000 
1 1 1  -11   11   26 o   8.3690   0.3903   8.3870   0.5620   8.3500   0.5418 0.3659000E-01 0.7806000 
1 1 1  -11   11   27 o   10.790   0.3541   10.620   0.5557   10.960   0.4390 -0.3423000 0.7082000 
1 1 1  -11   11   28 o   9.0720   0.4859   8.6220   0.7112   9.5210   0.6624 -0.8988000 0.9718000 
1 1 1  -11   11   29 o   3.8300   0.7671   4.4240   1.0430   3.2370   1.1250 1.187000 1.534000 
1 1 1  -11   11   30 o   2.5090   0.7076   1.8380   0.8632   3.1790   1.1220 -1.342000 1.415000 
1 1 1  -11   11   31 o   4.0810   0.7486   4.2700   1.0100   3.8920   1.1060 0.3783000 1.497000 
1 1 1  -11   11   32 o   2.2420   0.7225   2.3690   1.0570   2.1160   0.9849 0.2534000 1.445000 
1 1 1  -11   13    1 o   51.340   0.2721   51.050   0.3828   51.630   0.3868 -0.5839000 0.5442000 
1 1 1  -11   13    2 o   8.3160   0.2679   7.9960   0.3895   8.6350   0.3679 -0.6392000 0.5358000 
1 1 1  -11   13    3 o   38.760   0.2185   38.670   0.3083   38.840   0.3096 -0.1682000 0.4369000 
1 1 1  -11   13    4 o   7.1470   0.3352   6.4820   0.4720   7.8120   0.4760 -1.330000 0.6703000 
1 1 1  -11   13    5 o   10.200   0.2325   10.110   0.3227   10.280   0.3347 -0.1699000 0.4649000 
1 1 1  -11   13    6 o   5.1470   0.4769   4.9300   0.7424   5.3630   0.5987 -0.4330000 0.9537000 
1 1 1  -11   13    7 o   13.180   0.2260   13.030   0.3456   13.340   0.2913 -0.3146000 0.4520000 
1 1 1  -11   13    8 o   21.530   0.1941   21.590   0.2939   21.480   0.2535 0.1025000 0.3881000 
1 1 1  -11   13    9 o   74.160   0.4110   74.330   0.6227   73.990   0.5366 0.3343000 0.8220000 
1 1 1  -11   13   10 o   14.510   0.4242  ?   ?    14.510   0.4242      ?      ? 
1 1 1  -11   13   11 o   33.090   0.2927   33.370   0.4142   32.800   0.4136 0.5676000 0.5853000 
1 1 1  -11   13   12 o   8.8840   0.3758   9.1590   0.5017   8.6080   0.5595 0.5510000 0.7515000 
1 1 1  -11   13   13 o   48.260   0.3423   47.970   0.5271   48.540   0.4368 -0.5643000 0.6846000 
1 1 1  -11   13   14 o   19.220   0.2541   19.280   0.3916   19.160   0.3241 0.1172000 0.5083000 
1 1 1  -11   13   15 o   33.200   0.2445   32.940   0.3450   33.450   0.3464 -0.5121000 0.4889000 
1 1 1  -11   13   16 o   15.280   0.2529   15.190   0.3601   15.360   0.3552 -0.1669000 0.5058000 
1 1 1  -11   13   17 o   9.0420   0.4718   8.5450   0.7213   9.5390   0.6085 -0.9943000 0.9437000 
1 1 1  -11   13   18 o   23.660   0.2777   24.110   0.4025   23.210   0.3825 0.9034000 0.5553000 
1 1 1  -11   13   19 o   16.470   0.2445   16.340   0.3469   16.600   0.3445 -0.2591000 0.4889000 
1 1 1  -11   13   20 o   18.680   0.2600   18.840   0.3359   18.520   0.3969 0.3227000 0.5200000 
1 1 1  -11   13   21 o   9.1280   0.4084   9.8290   0.4822   8.4260   0.6593 1.403000 0.8168000 
1 1 1  -11   13   22 o   18.820   0.2387   18.660   0.3445   18.980   0.3305 -0.3200000 0.4774000 
1 1 1  -11   13   23 o   8.4380   0.3931   8.2800   0.5798   8.5970   0.5310 -0.3164000 0.7862000 
1 1 1  -11   13   24 o   13.330   0.2816   13.540   0.4054   13.120   0.3910 0.4212000 0.5632000 
1 1 1  -11   13   25 o   19.750   0.2612   19.480   0.4034   20.020   0.3318 -0.5442000 0.5223000 
1 1 1  -11   13   26 o   2.8670   0.7484   2.2260   1.0180   3.5070   1.0970 -1.281000 1.497000 
1 1 1  -11   13   27 o   3.7770   0.9196   3.6550   1.2960   3.9000   1.3050 -0.2452000 1.839000 
1 1 1  -11   13   28 o   4.8500   0.7186   3.4100   1.2220   6.2910   0.7563 -2.881000 1.437000 
1 1 1  -11   13   29 o   3.8610   0.7770   3.2380   1.1720   4.4850   1.0210 -1.247000 1.554000 
1 1 1  -11   13   30 o   4.5820   0.7428   4.3390   1.1090   4.8250   0.9879 -0.4864000 1.486000 
1 1 1  -11   13   31 o   2.3840   0.7524   2.5850   1.1100   2.1830   1.0160 0.4015000 1.505000 
1 1 1  -11   15    1 o   35.100   0.2414   35.260   0.3415   34.940   0.3412 0.3185000 0.4828000 
1 1 1  -11   15    2 o   26.240   0.2140   26.350   0.3000   26.120   0.3051 0.2233000 0.4279000 
1 1 1  -11   15    3 o   23.480   0.2120   23.470   0.2963   23.490   0.3032 -0.2148000E-01 0.4239000 
1 1 1  -11   15    4 o   38.740   0.2581   38.680   0.3637   38.800   0.3663 -0.1239000 0.5162000 
1 1 1  -11   15    5 o   25.770   0.2162   25.580   0.3011   25.960   0.3103 -0.3785000 0.4324000 
1 1 1  -11   15    6 o   16.510   0.2567   16.670   0.3945   16.350   0.3286 0.3244000 0.5134000 
1 1 1  -11   15    7 o   44.830   0.2704   44.680   0.4086   44.980   0.3542 -0.2992000 0.5407000 
1 1 1  -11   15    8 o   24.750   0.2074   24.830   0.3143   24.680   0.2708 0.1530000 0.4148000 
1 1 1  -11   15    9 o   38.500   0.2622   38.210   0.3693   38.790   0.3724 -0.5839000 0.5244000 
1 1 1  -11   15   10 o   18.790   0.2555   18.880   0.3919   18.690   0.3280 0.1896000 0.5110000 
1 1 1  -11   15   11 o   45.440   0.3286   45.430   0.5085   45.460   0.4164 -0.2599000E-01 0.6573000 
1 1 1  -11   15   12 o   24.020   0.2537   23.520   0.3231   24.530   0.3913 -1.004000 0.5075000 
1 1 1  -11   15   13 o   37.640   0.2636   37.730   0.3725   37.550   0.3730 0.1797000 0.5271000 
1 1 1  -11   15   14 o   16.330   0.2579   17.010   0.3476   15.650   0.3812 1.362000 0.5159000 
1 1 1  -11   15   15 o   10.350   0.4264   10.790   0.5905   9.9090   0.6154 0.8804000 0.8529000 
1 1 1  -11   15   16 o   13.880   0.2733   13.710   0.3926   14.060   0.3803 -0.3518000 0.5466000 
1 1 1  -11   15   17 o   9.5550   0.3480   9.4350   0.4994   9.6740   0.4849 -0.2388000 0.6961000 
1 1 1  -11   15   18 o   16.850   0.3516   16.850   0.3516  ?   ?       ?      ? 
1 1 1  -11   15   19 o   9.4300   0.3508   9.0430   0.5129   9.8170   0.4788 -0.7736000 0.7016000 
1 1 1  -11   15   20 o   19.660   0.2366   19.870   0.3372   19.460   0.3319 0.4151000 0.4731000 
1 1 1  -11   15   21 o   11.700   0.3030   11.600   0.4388   11.790   0.4180 -0.1935000 0.6060000 
1 1 1  -11   15   22 o   2.0420   0.6614   2.0670   0.9446   2.0160   0.9259 0.5098000E-01 1.323000 
1 1 1  -11   15   23 o   22.010   0.2589   22.330   0.3984   21.690   0.3308 0.6399000 0.5179000 
1 1 1  -11   15   24 o   3.6850   0.7998   3.3950   1.2160   3.9760   1.0390 -0.5813000 1.600000 
1 1 1  -11   15   25 o   11.870   0.3996   11.560   0.5679   12.190   0.5623 -0.6311000 0.7992000 
1 1 1  -11   15   26 o   4.4670   0.7265   5.1250   0.9516   3.8080   1.0980 1.317000 1.453000 
1 1 1  -11   15   27 o   3.3040   0.8324   3.3760   1.2410   3.2320   1.1100 0.1436000 1.665000 
1 1 1  -11   15   28 f   5.3100   0.6574   5.3470   0.9542   5.2720   0.9045 0.7468000E-01 1.315000 
1 1 1  -11   15   29 f   7.1170   0.5161   7.0440   0.7481   7.1900   0.7112 -0.1462000 1.032000 
1 1 1  -11   15   30 o   2.3070   0.7625   2.6040   1.1830   2.0090   0.9623 0.5949000 1.525000 
1 1 1  -11   17    1 f   21.260   0.2294   21.650   0.3211   20.870   0.3276 0.7736000 0.4587000 
1 1 1  -11   17    2 o   5.9250   0.5549   5.9320   0.7597   5.9170   0.8092 0.1557000E-01 1.110000 
1 1 1  -11   17    3 o   21.540   0.2280   21.690   0.3195   21.390   0.3254 0.3029000 0.4560000 
1 1 1  -11   17    4 o   7.1850   0.4495   7.3220   0.6162   7.0490   0.6547 0.2725000 0.8991000 
1 1 1  -11   17    5 o   13.190   0.2772   12.910   0.3895   13.480   0.3945 -0.5696000 0.5544000 
1 1 1  -11   17    6 o   25.070   0.2551   24.910   0.3947   25.240   0.3232 -0.3289000 0.5102000 
1 1 1  -11   17    7 o   17.630   0.2431   17.810   0.3425   17.460   0.3452 0.3528000 0.4863000 
1 1 1  -11   17    8 o   27.740   0.2196   27.680   0.3326   27.800   0.2867 -0.1259000 0.4391000 
1 1 1  -11   17    9 o   17.370   0.2317   17.610   0.3509   17.120   0.3028 0.4840000 0.4635000 
1 1 1  -11   17   10 o   29.540   0.2219   29.690   0.3357   29.380   0.2904 0.3080000 0.4439000 
1 1 1  -11   17   11 f   22.840   0.2620   23.010   0.4105   22.670   0.3256 0.3329000 0.5239000 
1 1 1  -11   17   12 o   13.660   0.3397   13.710   0.4871   13.600   0.4738 0.1054000 0.6795000 
1 1 1  -11   17   13 o   12.010   0.3032   12.360   0.4147   11.650   0.4423 0.7125000 0.6063000 
1 1 1  -11   17   14 o   19.340   0.2372   19.490   0.3300   19.190   0.3409 0.2964000 0.4745000 
1 1 1  -11   17   15 o   12.450   0.3236   12.950   0.4049   11.950   0.5048 1.004000 0.6471000 
1 1 1  -11   17   16 o   9.3870   0.4022   9.6950   0.5032   9.0790   0.6276 0.6165000 0.8044000 
1 1 1  -11   17   17 o   4.4340   0.7053   5.1400   0.8841   3.7270   1.0990 1.414000 1.411000 
1 1 1  -11   17   18 o   7.9890   0.4189   7.7020   0.6210   8.2760   0.5624 -0.5739000 0.8378000 
1 1 1  -11   17   19 o  10.0000   0.3440   10.360   0.4769   9.6410   0.4959 0.7189000 0.6880000 
1 1 1  -11   17   20 o   7.5820   0.4371   6.9750   0.6486   8.1880   0.5860 -1.213000 0.8742000 
1 1 1  -11   17   21 o   11.240   0.3500   11.200   0.5240   11.280   0.4643 -0.7764000E-01 0.7001000 
1 1 1  -11   17   22 o   7.9830   0.4507   7.8030   0.6834   8.1630   0.5878 -0.3600000 0.9014000 
1 1 1  -11   17   23 o   6.6590   0.6550   6.3630   0.9577   6.9560   0.8940 -0.5930000 1.310000 
1 1 1  -11   17   24 o   7.0990   0.6181   7.2010   0.8352   6.9970   0.9114 0.2032000 1.236000 
1 1 1  -11   17   25 o   6.6770   0.5355   6.5740   0.7940   6.7800   0.7188 -0.2059000 1.071000 
1 1 1  -11   17   26 o   3.7330   0.8283   4.4770   1.2120   2.9900   1.1290 1.487000 1.657000 
1 1 1  -11   17   27 o   7.7660   0.4618   7.5290   0.6803   8.0040   0.6246 -0.4756000 0.9235000 
1 1 1  -11   17   28 o   8.2310   0.5688   7.9290   0.8753   8.5340   0.7266 -0.6053000 1.138000 
1 1 1  -11   17   29 o   6.1780   1.1570   6.1780   1.1570  ?   ?       ?      ? 
1 1 1  -11   19    1 o   17.220   0.2182   17.190   0.3055   17.250   0.3116 -0.5707000E-01 0.4364000 
1 1 1  -11   19    2 o   14.310   0.2378   14.460   0.3332   14.160   0.3393 0.2912000 0.4756000 
1 1 1  -11   19    3 o   29.450   0.2392   29.540   0.3386   29.370   0.3378 0.1743000 0.4783000 
1 1 1  -11   19    4 o   29.280   0.2385   29.050   0.3368   29.520   0.3378 -0.4674000 0.4770000 
1 1 1  -11   19    5 o   18.250   0.2438   17.940   0.3474   18.560   0.3422 -0.6165000 0.4876000 
1 1 1  -11   19    6 o   14.940   0.3032   14.980   0.4731   14.890   0.3792 0.8267000E-01 0.6063000 
1 1 1  -11   19    7 o   5.1060   0.7465   5.7910   1.0480   4.4200   1.0630 1.370000 1.493000 
1 1 1  -11   19    8 o   27.060   0.2704   26.650   0.4236   27.480   0.3364 -0.8301000 0.5409000 
1 1 1  -11   19    9 o   11.590   0.2992   11.730   0.4495   11.450   0.3950 0.2737000 0.5984000 
1 1 1  -11   19   10 o   15.370   0.2456   15.390   0.3657   15.340   0.3280 0.5389000E-01 0.4912000 
1 1 1  -11   19   11 o   15.820   0.2611   15.770   0.3726   15.880   0.3658 -0.1183000 0.5221000 
1 1 1  -11   19   12 o   16.680   0.2480   16.670   0.3488   16.690   0.3526 -0.2829000E-01 0.4959000 
1 1 1  -11   19   13 o   10.100   0.3379   10.360   0.4657   9.8420   0.4897 0.5160000 0.6758000 
1 1 1  -11   19   14 o   15.400   0.2413   15.220   0.3631   15.590   0.3178 -0.3766000 0.4825000 
1 1 1  -11   19   15 o   10.650   0.3288   10.770   0.4596   10.520   0.4704 0.2499000 0.6577000 
1 1 1  -11   19   16 o   16.820   0.2598   16.910   0.3600   16.720   0.3747 0.1873000 0.5196000 
1 1 1  -11   19   17 o   5.8300   0.6092   6.4820   0.7319   5.1780   0.9740 1.304000 1.218000 
1 1 1  -11   19   18 o   18.740   0.2507   18.330   0.3569   19.150   0.3522 -0.8266000 0.5015000 
1 1 1  -11   19   19 o   4.4190   0.7293   5.9280   0.9303   2.9100   1.1230 3.018000 1.459000 
1 1 1  -11   19   20 o   7.1130   0.5336   6.1230   0.8841   8.1020   0.5977 -1.979000 1.067000 
1 1 1  -11   19   21 o   12.460   0.4011   13.180   0.5154   11.750   0.6148 1.429000 0.8023000 
1 1 1  -11   19   22 o   4.1150   0.7825   3.0620   1.2180   5.1670   0.9828 -2.104000 1.565000 
1 1 1  -11   19   23 o   4.0790   0.7941   4.4590   1.0820   3.6990   1.1630 0.7599000 1.588000 
1 1 1  -11   19   24 o   3.1790   0.8441   3.2450   1.2310   3.1130   1.1550 0.1321000 1.688000 
1 1 1  -11   19   25 o   2.1090   0.6788   2.4920   1.0670   1.7250   0.8395 0.7670000 1.358000 
1 1 1  -11   19   26 o   4.5480   0.7984   4.5210   1.1520   4.5760   1.1060 -0.5527000E-01 1.597000 
1 1 1  -11   19   27 f   1.9770   0.6802   2.1760   1.0400   1.7770   0.8769 0.3982000 1.360000 
1 1 1  -11   21    1 o   11.790   0.3250   12.030   0.4599   11.560   0.4592 0.4678000 0.6499000 
1 1 1  -11   21    2 o   7.9350   0.4501   8.2980   0.6134   7.5720   0.6587 0.7262000 0.9001000 
1 1 1  -11   21    3 f   5.8280   0.6024   5.8320   0.8480   5.8240   0.8559 0.7951000E-02 1.205000 
1 1 1  -11   21    4 o   13.680   0.2859   14.060   0.3970   13.310   0.4117 0.7487000 0.5719000 
1 1 1  -11   21    5 o   19.440   0.2452   19.200   0.3504   19.680   0.3430 -0.4720000 0.4904000 
1 1 1  -11   21    6 o   21.480   0.2387   22.060   0.3390   20.900   0.3362 1.160000 0.4774000 
1 1 1  -11   21    7 o   12.810   0.2967   12.790   0.4223   12.830   0.4169 -0.3656000E-01 0.5935000 
1 1 1  -11   21    8 o   7.6550   0.4261   8.0380   0.6237   7.2720   0.5808 0.7655000 0.8523000 
1 1 1  -11   21    9 o   5.7600   0.5599   5.7020   0.8676   5.8190   0.7080 -0.1176000 1.120000 
1 1 1  -11   21   10 o   5.2080   0.6075   6.1340   0.7754   4.2830   0.9355 1.851000 1.215000 
1 1 1  -11   21   11 o   8.1260   0.3870   8.0050   0.5893   8.2480   0.5018 -0.2430000 0.7740000 
1 1 1  -11   21   12 o   4.6710   0.6637   4.6070   0.9990   4.7340   0.8741 -0.1271000 1.327000 
1 1 1  -11   21   13 o   9.3840   0.3396   9.1790   0.5191   9.5900   0.4379 -0.4111000 0.6792000 
1 1 1  -11   21   14 o   2.4730   0.7104   2.9330   1.1000   2.0130   0.8994 0.9202000 1.421000 
1 1 1  -11   21   15 o   14.020   0.2628   13.670   0.4086   14.370   0.3307 -0.6959000 0.5257000 
1 1 1  -11   21   16 f   8.7310   0.3927   9.2460   0.5342   8.2160   0.5758 1.030000 0.7854000 
1 1 1  -11   21   17 o   5.8020   0.6254   6.3660   0.8260   5.2370   0.9392 1.130000 1.251000 
1 1 1  -11   21   18 o   10.820   0.4973   10.970   0.7313   10.660   0.6740 0.3100000 0.9945000 
1 1 1  -11   21   19 o   3.5560   0.8841   2.6450   1.1390   4.4670   1.3530 -1.823000 1.768000 
1 1 1  -11   21   20 o   7.6870   0.4713   7.0590   0.7155   8.3150   0.6136 -1.257000 0.9426000 
1 1 1  -11   21   21 o   2.7240   0.7832   2.5530   1.0840   2.8940   1.1310 -0.3415000 1.566000 
1 1 1  -11   21   22 o   6.1900   0.6461   6.4620   0.9589   5.9170   0.8663 0.5447000 1.292000 
1 1 1  -11   21   23 o   3.1270   0.8243   3.2740   1.1650   2.9800   1.1660 0.2936000 1.649000 
1 1 1  -11   21   24 o   4.4240   0.9043   5.3050   1.2600   3.5440   1.2970 1.761000 1.809000 
1 1 1  -11   21   25 o   2.7160   0.8318   3.1830   1.2890   2.2480   1.0520 0.9349000 1.664000 
1 1 1  -11   23    1 o   13.390   0.2538   13.680   0.3530   13.090   0.3647 0.5895000 0.5076000 
1 1 1  -11   23    2 o   7.8350   0.3929   7.2880   0.5945   8.3820   0.5138 -1.094000 0.7857000 
1 1 1  -11   23    3 o   6.9980   0.4290   7.3210   0.5696   6.6750   0.6415 0.6463000 0.8579000 
1 1 1  -11   23    4 o   6.6230   0.4495   7.1460   0.5791   6.1000   0.6877 1.046000 0.8990000 
1 1 1  -11   23    5 o   9.8160   0.3138   9.9300   0.4384   9.7010   0.4490 0.2290000 0.6275000 
1 1 1  -11   23    6 o   6.7310   0.4680   7.0500   0.6725   6.4120   0.6511 0.6382000 0.9360000 
1 1 1  -11   23    7 o   2.3340   0.7099   2.3990   1.0360   2.2690   0.9708 0.1302000 1.420000 
1 1 1  -11   23    8 o   3.1070   0.7169   2.3640   1.0290   3.8510   0.9982 -1.488000 1.434000 
1 1 1  -11   23    9 o   6.3600   0.4964   6.6830   0.7321   6.0370   0.6705 0.6463000 0.9928000 
1 1 1  -11   23   10 o   3.8750   0.7368   3.4160   1.1320   4.3340   0.9433 -0.9180000 1.474000 
1 1 1  -11   23   11 o   8.4530   0.3751   8.6630   0.5533   8.2430   0.5065 0.4199000 0.7501000 
1 1 1  -11   23   12 o   4.2820   0.7145   4.2470   1.0760   4.3180   0.9402 -0.7154000E-01 1.429000 
1 1 1  -11   23   13 o   5.1950   0.6003   5.0420   0.9311   5.3480   0.7580 -0.3062000 1.201000 
1 1 1  -11   23   14 o   6.7040   0.5011   7.0710   0.7844   6.3370   0.6239 0.7338000 1.002000 
1 1 1  -11   23   15 o   3.4940   0.8913   3.6960   1.3510   3.2910   1.1630 0.4051000 1.783000 
1 1 1  -11   23   16 o   2.4890   0.7689   2.7940   1.1750   2.1850   0.9926 0.6092000 1.538000 
1 1 1  -11   23   17 o   3.5040   0.7067   2.5210   1.0470   4.4870   0.9492 -1.966000 1.413000 
1 1 1  -11   23   18 o   6.3940   0.5094   6.1860   0.7859   6.6030   0.6483 -0.4178000 1.019000 
1 1 1  -11   23   19 o   2.2000   0.7133   2.5870   1.1260   1.8120   0.8756 0.7751000 1.427000 
1 1 1  -11   23   20 o   2.0870   0.6837   1.7840   0.8782   2.3910   1.0480 -0.6071000 1.367000 
1 1 1  -11   23   21 o   7.1320   0.5051   7.3200   0.7047   6.9440   0.7238 0.3765000 1.010000 
1 1 1  -11   23   22 o   2.4940   0.7924   2.3210   1.0830   2.6660   1.1570 -0.3449000 1.585000 
1 1 1  -11   23   23 o   2.8980   0.8113   3.1370   1.1780   2.6590   1.1160 0.4777000 1.623000 
1 1 1  -11   25    1 o   11.780   0.2801   11.620   0.3989   11.940   0.3933 -0.3152000 0.5602000 
1 1 1  -11   25    2 o   10.090   0.3091   9.7490   0.4498   10.430   0.4241 -0.6820000 0.6182000 
1 1 1  -11   25    3 o   11.590   0.2836   11.440   0.4036   11.740   0.3984 -0.2984000 0.5671000 
1 1 1  -11   25    4 o   8.1270   0.3672   7.9890   0.5195   8.2640   0.5191 -0.2742000 0.7344000 
1 1 1  -11   25    5 o   3.3070   0.7243   2.6750   1.0290   3.9390   1.0190 -1.264000 1.449000 
1 1 1  -11   25    6 o   2.6480   0.7503   2.6260   1.0800   2.6700   1.0420 -0.4371000E-01 1.501000 
1 1 1  -11   25    7 o   11.090   0.3152   10.960   0.4759   11.210   0.4133 -0.2547000 0.6303000 
1 1 1  -11   25    8 o   3.7720   0.7106   2.8230   1.1200   4.7220   0.8742 -1.899000 1.421000 
1 1 1  -11   25    9 o   9.8360   0.4082   9.5610   0.6386   10.110   0.5087 -0.5514000 0.8164000 
1 1 1  -11   25   10 o   6.2680   0.6019   6.1290   0.9345   6.4070   0.7589 -0.2784000 1.204000 
1 1 1  -11   25   11 o   2.3990   0.7458   2.7730   1.1580   2.0240   0.9395 0.7482000 1.492000 
1 1 1  -11   25   12 o   4.5670   0.7310   3.6980   1.2500   5.4360   0.7582 -1.738000 1.462000 
1 1 1  -11   25   13 o   5.2500   0.6695   5.6740   1.0020   4.8260   0.8885 0.8476000 1.339000 
1 1 1  -11   25   14 o   5.0990   0.6404   4.9980   0.9875   5.1990   0.8158 -0.2009000 1.281000 
1 1 1  -11   25   15 o   11.100   0.3737   11.410   0.5606   10.790   0.4943 0.6199000 0.7474000 
1 1 1  -11   25   16 o   6.5060   0.5978   6.9690   0.8420   6.0440   0.8489 0.9249000 1.196000 
1 1 1  -11   25   17 o   3.9290   0.7693   4.0820   1.1130   3.7770   1.0630 0.3044000 1.539000 
1 1 1  -11   25   18 f   3.4700   0.7918   3.2980   1.1610   3.6410   1.0770 -0.3427000 1.584000 
1 1 1  -11   25   19 o   4.2900   0.8886   4.6660   1.3070   3.9140   1.2040 0.7525000 1.777000 
1 1 1  -11   25   20 o   3.4740   0.8387   3.1420   1.1580   3.8060   1.2130 -0.6635000 1.677000 
1 1 1  -11   27    1 o   9.9850   0.3189   10.170   0.4493   9.8050   0.4527 0.3599000 0.6378000 
1 1 1  -11   27    2 o   4.5850   0.6624   5.4000   0.7975   3.7700   1.0580 1.630000 1.325000 
1 1 1  -11   27    3 o   4.1920   0.7006   4.6120   0.9402   3.7720   1.0390 0.8408000 1.401000 
1 1 1  -11   27    4 o   5.8070   0.5269   5.8960   0.7438   5.7180   0.7465 0.1777000 1.054000 
1 1 1  -11   27    5 o   6.1290   0.4878   6.3200   0.6780   5.9380   0.7016 0.3824000 0.9756000 
1 1 1  -11   27    6 f   2.3080   0.7051   2.1760   0.9895   2.4390   1.0050 -0.2631000 1.410000 
1 1 1  -11   27    7 o   4.9770   0.6625   5.2760   0.9753   4.6780   0.8968 0.5977000 1.325000 
1 1 1  -11   27    8 o   2.8030   0.7874   2.5310   1.0900   3.0750   1.1360 -0.5443000 1.575000 
1 1 1  -11   27    9 o   2.9650   0.8330   2.8210   1.2090   3.1080   1.1460 -0.2873000 1.666000 
1 1 1  -11   27   10 o   5.4840   0.7655   4.5820   1.3140   6.3860   0.7863 -1.804000 1.531000 
1 1 1  -11   27   11 o   2.7100   0.7995   3.0090   1.2140   2.4100   1.0410 0.5988000 1.599000 
1 1 1  -11   27   12 o   2.1840   0.6882   2.1040   0.9710   2.2640   0.9756 -0.1601000 1.376000 
1 1 1  -11   27   13 o   4.8380   0.6835   5.1720   0.9879   4.5050   0.9448 0.6670000 1.367000 
1 1 1  -11   27   14 o   2.1410   0.6848   2.1320   0.9782   2.1490   0.9586 -0.1704000E-01 1.370000 
1 1 1  -11   27   15 o   3.7760   0.8851   4.0150   1.3130   3.5380   1.1880 0.4766000 1.770000 
1 1 1  -11   27   16 o   4.9900   0.8029   4.7480   1.2670   5.2330   0.9861 -0.4850000 1.606000 
1 1 1  -11   27   17 o   2.2940   0.6929   1.8080   0.8727   2.7800   1.0770 -0.9724000 1.386000 
1 1 1  -11   29    1 o   4.6310   0.6749   4.0830   1.0520   5.1780   0.8459 -1.095000 1.350000 
1 1 1  -11   29    2 f   1.9280   0.6233   1.4850   0.7374   2.3720   1.0050 -0.8869000 1.247000 
1 1 1  -11   29    3 o   2.8480   0.7635   2.9680   1.0980   2.7280   1.0610 0.2402000 1.527000 
1 1 1  -11   29    4 o   3.2260   0.7688   3.6720   1.1050   2.7810   1.0690 0.8911000 1.538000 
1 1 1  -11   29    5 o   2.0910   0.6656   1.8720   0.8816   2.3100   0.9975 -0.4378000 1.331000 
1 1 1  -11   29    6 o   6.8590   0.5166   6.5610   0.8122   7.1570   0.6385 -0.5968000 1.033000 
1 1 1  -11   29    7 o   3.6870   0.8351   4.6410   1.2800   2.7320   1.0730 1.909000 1.670000 
1 1 1  -11   29    8 o   3.9390   0.8848   3.0660   1.4130   4.8110   1.0660 -1.745000 1.770000 
1 1 1  -11   29    9 o   2.6820   0.8257   3.1680   1.3150   2.1970   0.9991 0.9716000 1.651000 
1 1 1  -11   29   10 o   2.7730   0.8233   2.6210   1.1870   2.9240   1.1420 -0.3025000 1.647000 
1 1 1  -11   29   11 o   2.5440   0.7888   3.1770   1.2890   1.9110   0.9102 1.266000 1.578000 
1 1 1  -11   29   12 o   2.5050   0.6937   1.7530   0.8515   3.2570   1.0950 -1.505000 1.387000 
1 1 1  -11   29   13 o   3.1640   0.8888   2.4660   1.1840   3.8620   1.3260 -1.396000 1.778000 
1 1 1  -11   31    1 o   2.3630   0.6840   3.0610   1.1040   1.6650   0.8081 1.395000 1.368000 
1 1 1  -11   31    2 o   2.1430   0.6787   2.0870   0.9516   2.1980   0.9678 -0.1108000 1.357000 
1 1 1  -11   31    3 o   2.0740   0.7098   1.7540   0.8955   2.3950   1.1010 -0.6419000 1.420000 
1 1 1  -10    0    1 o   48.360   0.4827   48.360   0.4827   48.360   0.4827 -0.000000 0.000000 
1 1 1  -10    0    2 o   72.440   0.5889   72.440   0.5889   72.440   0.5889 -0.000000 0.000000 
1 1 1  -10    0    3 o   18.480   0.1373   18.480   0.1373   18.480   0.1373 -0.000000 0.000000 
1 1 1  -10    0    4 o   56.030   0.3948   56.030   0.3948   56.030   0.3948 -0.000000 0.000000 
1 1 1  -10    0    5 f   79.660   0.5598   79.660   0.5598   79.660   0.5598 -0.000000 0.000000 
1 1 1  -10    0    6 o   31.040   0.3219   31.040   0.3219   31.040   0.3219 -0.000000 0.000000 
1 1 1  -10    0    7 o   74.740   0.5270   74.740   0.5270   74.740   0.5270 -0.000000 0.000000 
1 1 1  -10    0    8 o   29.420   0.2230   29.420   0.2230   29.420   0.2230 -0.000000 0.000000 
1 1 1  -10    0    9 o   56.930   0.4065   56.930   0.4065   56.930   0.4065 -0.000000 0.000000 
1 1 1  -10    0   10 o   59.300   0.4238   59.300   0.4238   59.300   0.4238 -0.000000 0.000000 
1 1 1  -10    0   11 o   8.5570   0.3290   8.5570   0.3290   8.5570   0.3290 -0.000000 0.000000 
1 1 1  -10    0   12 o   9.3880   0.2307   9.3880   0.2307   9.3880   0.2307 -0.000000 0.000000 
1 1 1  -10    0   13 o   55.880   0.4045   55.880   0.4045   55.880   0.4045 -0.000000 0.000000 
1 1 1  -10    0   14 o   27.260   0.2316   27.260   0.2316   27.260   0.2316 -0.000000 0.000000 
1 1 1  -10    0   15 o   40.090   0.3065   40.090   0.3065   40.090   0.3065 -0.000000 0.000000 
1 1 1  -10    0   16 o   59.860   0.4356   59.860   0.4356   59.860   0.4356 -0.000000 0.000000 
1 1 1  -10    0   17 o   51.880   0.3858   51.880   0.3858   51.880   0.3858 -0.000000 0.000000 
1 1 1  -10    0   18 o   41.580   0.3256   41.580   0.3256   41.580   0.3256 -0.000000 0.000000 
1 1 1  -10    0   19 o   24.920   0.3701   24.920   0.3701   24.920   0.3701 -0.000000 0.000000 
1 1 1  -10    0   20 o   4.6350   0.9795   4.6350   0.9795   4.6350   0.9795 -0.000000 0.000000 
1 1 1  -10    0   21 o   5.2280   0.7627   5.2280   0.7627   5.2280   0.7627 -0.000000 0.000000 
1 1 1  -10    0   22 o   13.420   0.3178   13.420   0.3178   13.420   0.3178 -0.000000 0.000000 
1 1 1  -10    0   23 o   18.440   0.3296   18.440   0.3296   18.440   0.3296 -0.000000 0.000000 
1 1 1  -10    0   24 o   18.160   0.3957   18.160   0.3957   18.160   0.3957 -0.000000 0.000000 
1 1 1  -10    0   25 o   12.270   0.3414   12.270   0.3414   12.270   0.3414 -0.000000 0.000000 
1 1 1  -10    0   26 o   6.7920   0.5563   6.7920   0.5563   6.7920   0.5563 -0.000000 0.000000 
1 1 1  -10    0   27 o   1.1660   0.8169   1.1660   0.8169   1.1660   0.8169 -0.000000 0.000000 
1 1 1  -10    0   28 o   3.0630   1.2420   3.0630   1.2420   3.0630   1.2420 -0.000000 0.000000 
1 1 1  -10    0   29 o   9.2690   0.4958   9.2690   0.4958   9.2690   0.4958 -0.000000 0.000000 
1 1 1  -10    0   30 o   4.9750   0.9896   4.9750   0.9896   4.9750   0.9896 -0.000000 0.000000 
1 1 1  -10    0   31 o   10.210   0.5954   10.210   0.5954   10.210   0.5954 -0.000000 0.000000 
1 1 1  -10    0   32 o   1.2170   0.8629   1.2170   0.8629   1.2170   0.8629 -0.000000 0.000000 
1 1 1  -10    0   33 o   4.4110   1.2010   4.4110   1.2010   4.4110   1.2010 -0.000000 0.000000 
1 1 1  -10    0   34 o   3.5750   1.3540   3.5750   1.3540   3.5750   1.3540 -0.000000 0.000000 
1 1 1  -10    2    1 o   44.280   0.2222   44.210   0.3137   44.360   0.3147 -0.1452000 0.4443000 
1 1 1  -10    2    2 o   90.870   0.4880   90.880   0.7381   90.860   0.6387 0.1896000E-01 0.9761000 
1 1 1  -10    2    3 o   56.660   0.3269   56.590   0.4618   56.740   0.4629 -0.1576000 0.6538000 
1 1 1  -10    2    4 o   50.020   0.3551   49.710   0.4991   50.330   0.5053 -0.6204000 0.7102000 
1 1 1  -10    2    5 o   55.900   0.3965   55.650   0.5583   56.160   0.5632 -0.5064000 0.7930000 
1 1 1  -10    2    6 f   56.430   0.3657   56.150   0.5645   56.720   0.4652 -0.5692000 0.7315000 
1 1 1  -10    2    7 o   94.770   0.5097   94.880   0.6681   94.670   0.7700 0.2156000 1.019000 
1 1 1  -10    2    8 o   10.620   0.1306   10.460   0.1720   10.770   0.1966 -0.3073000 0.2613000 
1 1 1  -10    2    9 o   25.680   0.1582   25.680   0.2072   25.690   0.2391 -0.1023000E-01 0.3164000 
1 1 1  -10    2   10 o   20.880   0.1733   20.690   0.2181   21.080   0.2694 -0.3963000 0.3466000 
1 1 1  -10    2   11 o   31.960   0.2270   31.940   0.2875   31.980   0.3515 -0.4168000E-01 0.4541000 
1 1 1  -10    2   12 o   11.440   0.1628   11.420   0.2133   11.460   0.2459 -0.3922000E-01 0.3255000 
1 1 1  -10    2   13 o   28.330   0.1793   28.210   0.2335   28.450   0.2721 -0.2335000 0.3586000 
1 1 1  -10    2   14 o   26.110   0.1751   26.110   0.2287   26.110   0.2652 -0.1945000E-03 0.3503000 
1 1 1  -10    2   15 o   27.220   0.1831   26.930   0.2379   27.510   0.2784 -0.5719000 0.3662000 
1 1 1  -10    2   16 o   99.220   0.5386   99.600   0.7077   98.840   0.8121 0.7604000 1.077000 
1 1 1  -10    2   17 o   33.190   0.2429   32.400   0.2747   33.980   0.4006 -1.581000 0.4858000 
1 1 1  -10    2   18 f   23.290   0.2501   23.380   0.3537   23.190   0.3536 0.1864000 0.5001000 
1 1 1  -10    2   19 o   28.920   0.2721   29.020   0.3841   28.820   0.3854 0.2011000 0.5442000 
1 1 1  -10    2   20 o   34.630   0.2292   34.580   0.2997   34.680   0.3470 -0.1040000 0.4585000 
1 1 1  -10    2   21 o   28.930   0.2101   28.960   0.2754   28.890   0.3175 0.6749000E-01 0.4203000 
1 1 1  -10    2   22 o   23.750   0.2032   23.840   0.2678   23.660   0.3057 0.1801000 0.4064000 
1 1 1  -10    2   23 o   6.2160   0.5513   6.1150   0.7107   6.3160   0.8429 -0.2005000 1.103000 
1 1 1  -10    2   24 o   8.6310   0.3952   8.6830   0.5034   8.5790   0.6095 0.1037000 0.7905000 
1 1 1  -10    2   25 o   9.6760   0.3033   9.6360   0.4021   9.7160   0.4541 -0.8032000E-01 0.6065000 
1 1 1  -10    2   26 o   11.810   0.2654   11.810   0.3490   11.800   0.4000 0.1400000E-01 0.5309000 
1 1 1  -10    2   27 o   8.1340   0.3651   7.8610   0.5019   8.4060   0.5304 -0.5455000 0.7302000 
1 1 1  -10    2   28 o   8.8870   0.3391   8.6980   0.4622   9.0770   0.4964 -0.3791000 0.6782000 
1 1 1  -10    2   29 o   14.490   0.2480   14.620   0.3257   14.370   0.3740 0.2564000 0.4960000 
1 1 1  -10    2   30 o   6.2430   0.4865   5.7870   0.7045   6.6990   0.6711 -0.9121000 0.9730000 
1 1 1  -10    2   31 o   4.2540   0.8445   3.6080   1.2360   4.9010   1.1510 -1.293000 1.689000 
1 1 1  -10    2   32 o   2.9720   0.7315   2.1750   0.9537   3.7690   1.1100 -1.594000 1.463000 
1 1 1  -10    2   33 o   1.9830   0.6463   2.1370   0.9524   1.8290   0.8739 0.3080000 1.293000 
1 1 1  -10    2   34 o   3.6800   0.7789   3.9750   1.0420   3.3840   1.1580 0.5902000 1.558000 
1 1 1  -10    4    1 o   24.560   0.1660   24.890   0.2725   24.230   0.1896 0.6629000 0.3320000 
1 1 1  -10    4    2 o   54.150   0.2725   54.050   0.3847   54.250   0.3860 -0.1926000 0.5450000 
1 1 1  -10    4    3 o   32.310   0.2199   32.340   0.3414   32.270   0.2772 0.6692000E-01 0.4397000 
1 1 1  -10    4    4 o   40.780   0.2703   40.540   0.4172   41.020   0.3438 -0.4788000 0.5406000 
1 1 1  -10    4    5 o   65.950   0.4276   66.020   0.6633   65.880   0.5397 0.1407000 0.8551000 
1 1 1  -10    4    6 f   72.250   0.4183   71.970   0.5893   72.530   0.5939 -0.5522000 0.8367000 
1 1 1  -10    4    7 o   66.760   0.3880   66.770   0.5490   66.750   0.5485 0.1848000E-01 0.7761000 
1 1 1  -10    4    8 o   26.520   0.1757   26.500   0.2490   26.540   0.2480 -0.3798000E-01 0.3515000 
1 1 1  -10    4    9 o   6.7680   0.2833   7.3020   0.3856   6.2340   0.4152 1.068000 0.5666000 
1 1 1  -10    4   10 o   19.990   0.1766   19.920   0.2246   20.050   0.2725 -0.1354000 0.3531000 
1 1 1  -10    4   11 o   20.160   0.1639   20.250   0.2322   20.080   0.2315 0.1701000 0.3279000 
1 1 1  -10    4   12 o   8.7650   0.2232   8.6340   0.3269   8.8960   0.3040 -0.2619000 0.4464000 
1 1 1  -10    4   13 o   28.250   0.1951   28.230   0.2764   28.280   0.2753 -0.4335000E-01 0.3901000 
1 1 1  -10    4   14 o   23.010   0.1705   23.110   0.2230   22.900   0.2580 0.2089000 0.3410000 
1 1 1  -10    4   15 o   29.150   0.1927   29.170   0.2518   29.130   0.2918 0.3811000E-01 0.3855000 
1 1 1  -10    4   16 o   67.510   0.3736   67.290   0.4872   67.720   0.5665 -0.4256000 0.7472000 
1 1 1  -10    4   17 o   66.000   0.3668   65.860   0.4787   66.130   0.5558 -0.2697000 0.7336000 
1 1 1  -10    4   18 o   48.790   0.3388   48.850   0.4290   48.730   0.5245 0.1140000 0.6776000 
1 1 1  -10    4   19 o   42.440   0.2759   42.250   0.3886   42.630   0.3919 -0.3810000 0.5519000 
1 1 1  -10    4   20 o   48.210   0.2838   48.210   0.3716   48.210   0.4290 -0.1644000E-02 0.5676000 
1 1 1  -10    4   21 o   28.770   0.2090   28.930   0.2753   28.610   0.3146 0.3190000 0.4180000 
1 1 1  -10    4   22 o   3.4780   0.7162   3.5150   0.9641   3.4410   1.0590 0.7379000E-01 1.432000 
1 1 1  -10    4   23 o   14.550   0.3573   14.950   0.4270   14.140   0.5728 0.8053000 0.7145000 
1 1 1  -10    4   24 o   3.0090   0.7320   3.1840   1.0080   2.8340   1.0610 0.3501000 1.464000 
1 1 1  -10    4   25 o   13.670   0.2435   14.120   0.3145   13.220   0.3720 0.9032000 0.4871000 
1 1 1  -10    4   26 o   14.910   0.2343   14.870   0.3098   14.960   0.3516 -0.9347000E-01 0.4686000 
1 1 1  -10    4   27 o   6.1150   0.4895   6.8340   0.5580   5.3960   0.8044 1.438000 0.9790000 
1 1 1  -10    4   28 o   12.150   0.2690   11.880   0.3614   12.410   0.3986 -0.5347000 0.5380000 
1 1 1  -10    4   29 o   7.2990   0.4177   7.8350   0.5047   6.7620   0.6656 1.073000 0.8353000 
1 1 1  -10    4   30 o   2.6930   0.7754   3.0520   1.1220   2.3330   1.0710 0.7196000 1.551000 
1 1 1  -10    4   31 o   7.0500   0.4840   7.5770   0.6314   6.5220   0.7338 1.055000 0.9680000 
1 1 1  -10    4   32 o   4.9850   0.6562   5.6370   0.7648   4.3330   1.0660 1.304000 1.312000 
1 1 1  -10    4   33 o   2.8300   0.7729   2.9840   1.0860   2.6770   1.1010 0.3064000 1.546000 
1 1 1  -10    4   34 o   2.7070   0.8022   2.0020   1.0100   3.4130   1.2470 -1.411000 1.604000 
1 1 1  -10    6    1 o   48.900   0.2501   49.010   0.3543   48.800   0.3530 0.2098000 0.5001000 
1 1 1  -10    6    2 o   43.760   0.2259   43.690   0.3190   43.820   0.3198 -0.1308000 0.4517000 
1 1 1  -10    6    3 o   41.920   0.2177   42.130   0.3093   41.720   0.3064 0.4035000 0.4354000 
1 1 1  -10    6    4 o   14.940   0.1353   14.640   0.2044   15.240   0.1772 -0.6013000 0.2706000 
1 1 1  -10    6    5 o   9.6050   0.1739   9.4690   0.2465   9.7420   0.2452 -0.2730000 0.3477000 
1 1 1  -10    6    6 o   23.170   0.1855   23.680   0.2895   22.650   0.2320 1.025000 0.3710000 
1 1 1  -10    6    7 o   20.480   0.1980   20.510   0.2801   20.450   0.2800 0.6658000E-01 0.3961000 
1 1 1  -10    6    8 o   10.060   0.2016   10.180   0.3062   9.9440   0.2622 0.2328000 0.4031000 
1 1 1  -10    6    9 o   27.570   0.2105   27.460   0.2684   27.680   0.3242 -0.2249000 0.4209000 
1 1 1  -10    6   10 o   20.680   0.1701   20.670   0.2438   20.680   0.2373 -0.9026000E-02 0.3403000 
1 1 1  -10    6   11 o   27.830   0.1934   27.790   0.2743   27.870   0.2728 -0.8537000E-01 0.3869000 
1 1 1  -10    6   12 o   33.830   0.2206   33.910   0.3126   33.750   0.3115 0.1604000 0.4413000 
1 1 1  -10    6   13 o   12.030   0.2068   12.020   0.2946   12.050   0.2903 -0.3739000E-01 0.4136000 
1 1 1  -10    6   14 o   32.560   0.2205   32.430   0.3120   32.690   0.3116 -0.2619000 0.4410000 
1 1 1  -10    6   15 f   53.800   0.3262   54.160   0.4646   53.430   0.4580 0.7245000 0.6524000 
1 1 1  -10    6   16 o   34.670   0.2360   34.510   0.3346   34.820   0.3329 -0.3038000 0.4720000 
1 1 1  -10    6   17 f   43.560   0.4847   43.560   0.4847  ?   ?       ?      ? 
1 1 1  -10    6   18 o   31.850   0.2638   31.700   0.4090   32.000   0.3331 -0.2936000 0.5275000 
1 1 1  -10    6   19 o   30.620   0.2181   30.780   0.2873   30.460   0.3283 0.3252000 0.4363000 
1 1 1  -10    6   20 o   9.5720   0.3196   8.9350   0.4422   10.210   0.4614 -1.275000 0.6391000 
1 1 1  -10    6   21 o   14.010   0.2331   14.090   0.3129   13.940   0.3456 0.1475000 0.4663000 
1 1 1  -10    6   22 o   18.460   0.2463   18.450   0.3198   18.470   0.3746 -0.1209000E-01 0.4926000 
1 1 1  -10    6   23 o   3.0480   0.7832   2.7250   1.0750   3.3710   1.1390 -0.6453000 1.566000 
1 1 1  -10    6   24 o   14.070   0.2356   13.850   0.3148   14.290   0.3505 -0.4396000 0.4711000 
1 1 1  -10    6   25 o   6.4710   0.4310   6.1920   0.6003   6.7490   0.6185 -0.5573000 0.8619000 
1 1 1  -10    6   26 o   5.3890   0.5338   5.7610   0.6470   5.0170   0.8493 0.7442000 1.068000 
1 1 1  -10    6   27 f   6.9110   0.4227   6.9150   0.5521   6.9070   0.6402 0.8005000E-02 0.8454000 
1 1 1  -10    6   28 f   9.2550   0.3261   8.9880   0.4429   9.5230   0.4788 -0.5348000 0.6522000 
1 1 1  -10    6   29 o   6.2720   0.4836   6.0410   0.6525   6.5030   0.7138 -0.4623000 0.9671000 
1 1 1  -10    6   30 o   5.5800   0.7100   6.1020   0.7767   5.0590   1.1890 1.043000 1.420000 
1 1 1  -10    6   31 o   3.4270   0.7684   3.6120   1.0500   3.2410   1.1230 0.3709000 1.537000 
1 1 1  -10    6   32 f   5.2630   0.6694   5.4250   0.9138   5.1010   0.9784 0.3247000 1.339000 
1 1 1  -10    6   33 o   2.4140   0.7571   2.9520   1.2210   1.8760   0.8961 1.076000 1.514000 
1 1 1  -10    8    1 o   21.290   0.1624   21.130   0.2303   21.450   0.2291 -0.3199000 0.3249000 
1 1 1  -10    8    2 o   20.360   0.1615   20.290   0.2282   20.420   0.2286 -0.1232000 0.3230000 
1 1 1  -10    8    3 o   29.420   0.1936   29.580   0.2753   29.260   0.2724 0.3181000 0.3873000 
1 1 1  -10    8    4 o   25.560   0.2005   25.470   0.3109   25.650   0.2531 -0.1802000 0.4009000 
1 1 1  -10    8    5 o   24.960   0.1678   25.270   0.2559   24.660   0.2170 0.6165000 0.3356000 
1 1 1  -10    8    6 o   55.010   0.3663   54.750   0.4607   55.270   0.5696 -0.5217000 0.7326000 
1 1 1  -10    8    7 o   15.180   0.1886   15.070   0.2410   15.290   0.2902 -0.2169000 0.3772000 
1 1 1  -10    8    8 o   24.270   0.1823   24.190   0.2565   24.350   0.2592 -0.1538000 0.3646000 
1 1 1  -10    8    9 o   47.230   0.2874   46.960   0.4044   47.490   0.4086 -0.5287000 0.5749000 
1 1 1  -10    8   10 o   38.400   0.2439   38.520   0.3457   38.270   0.3440 0.2459000 0.4877000 
1 1 1  -10    8   11 o   43.740   0.2714   43.500   0.3823   43.980   0.3852 -0.4818000 0.5428000 
1 1 1  -10    8   12 o   35.800   0.2356   35.860   0.3351   35.740   0.3314 0.1135000 0.4712000 
1 1 1  -10    8   13 o   62.170   0.3706   62.330   0.5260   62.010   0.5223 0.3160000 0.7413000 
1 1 1  -10    8   14 o   22.450   0.2294   21.930   0.2914   22.960   0.3543 -1.027000 0.4588000 
1 1 1  -10    8   15 o   36.260   0.2438   36.320   0.3474   36.210   0.3422 0.1191000 0.4876000 
1 1 1  -10    8   16 o   13.550   0.3056   13.380   0.4472   13.730   0.4165 -0.3507000 0.6111000 
1 1 1  -10    8   17 o   31.220   0.2600   31.100   0.4024   31.340   0.3292 -0.2435000 0.5199000 
1 1 1  -10    8   18 o   12.370   0.3237   12.590   0.4953   12.140   0.4169 0.4502000 0.6473000 
1 1 1  -10    8   19 o   41.640   0.2752   41.740   0.3903   41.540   0.3879 0.2032000 0.5503000 
1 1 1  -10    8   20 o   30.950   0.2332   30.540   0.3286   31.370   0.3310 -0.8279000 0.4664000 
1 1 1  -10    8   21 o   32.490   0.2931   32.300   0.4183   32.670   0.4107 -0.3712000 0.5862000 
1 1 1  -10    8   22 f   4.8050   0.7141   5.3590   0.8546   4.2510   1.1440 1.108000 1.428000 
1 1 1  -10    8   23 o   25.170   0.2108   25.210   0.2785   25.130   0.3165 0.7931000E-01 0.4216000 
1 1 1  -10    8   24 o   16.310   0.2249   16.260   0.3008   16.350   0.3345 -0.8981000E-01 0.4499000 
1 1 1  -10    8   25 o   9.1730   0.3300   9.0460   0.4446   9.3000   0.4877 -0.2548000 0.6600000 
1 1 1  -10    8   26 o   3.0700   0.6807   3.9270   0.9586   2.2130   0.9668 1.714000 1.361000 
1 1 1  -10    8   27 o   14.130   0.2499   13.670   0.3371   14.590   0.3692 -0.9227000 0.4999000 
1 1 1  -10    8   28 o   3.3150   0.7365   2.8220   1.0320   3.8080   1.0510 -0.9856000 1.473000 
1 1 1  -10    8   29 o   10.380   0.3871   9.9020   0.5113   10.850   0.5814 -0.9473000 0.7743000 
1 1 1  -10    8   30 o   3.9840   0.7588   4.6090   1.0210   3.3590   1.1220 1.250000 1.518000 
1 1 1  -10    8   31 o   2.2950   0.7299   2.9020   1.2060   1.6890   0.8233 1.213000 1.460000 
1 1 1  -10    8   32 o   3.5390   0.8415   3.1460   1.2480   3.9320   1.1300 -0.7864000 1.683000 
1 1 1  -10    8   33 o   4.3950   0.8218   4.8070   1.0730   3.9840   1.2450 0.8226000 1.644000 
1 1 1  -10   10    1 o   29.220   0.1741   28.940   0.2442   29.500   0.2483 -0.5587000 0.3483000 
1 1 1  -10   10    2 o   18.100   0.1509   18.270   0.2119   17.930   0.2148 0.3457000 0.3018000 
1 1 1  -10   10    3 o   25.180   0.1618   25.330   0.2289   25.030   0.2287 0.3002000 0.3236000 
1 1 1  -10   10    4 f   27.790   0.1699   27.530   0.2387   28.050   0.2418 -0.5162000 0.3398000 
1 1 1  -10   10    5 o   34.220   0.2090   34.240   0.3160   34.200   0.2735 0.4321000E-01 0.4179000 
1 1 1  -10   10    6 o   22.000   0.1709   22.170   0.2595   21.840   0.2225 0.3274000 0.3419000 
1 1 1  -10   10    7 o   19.200   0.1825   19.090   0.2562   19.300   0.2601 -0.2159000 0.3651000 
1 1 1  -10   10    8 o   16.760   0.1865   16.840   0.2621   16.680   0.2654 0.1585000 0.3730000 
1 1 1  -10   10    9 o   37.160   0.2418   37.350   0.3424   36.970   0.3414 0.3805000 0.4835000 
1 1 1  -10   10   10 o   14.740   0.2078   14.710   0.2888   14.780   0.2987 -0.6892000E-01 0.4155000 
1 1 1  -10   10   11 o   27.520   0.2084   27.530   0.2946   27.520   0.2950 0.1079000E-01 0.4169000 
1 1 1  -10   10   12 o   38.930   0.2545   39.240   0.3621   38.620   0.3577 0.6156000 0.5090000 
1 1 1  -10   10   13 o   77.470   0.4566   77.590   0.6474   77.360   0.6442 0.2377000 0.9133000 
1 1 1  -10   10   14 o   22.960   0.2606   23.120   0.3716   22.810   0.3655 0.3042000 0.5213000 
1 1 1  -10   10   15 o   26.540   0.2707   27.490   0.3883   25.590   0.3773 1.900000 0.5414000 
1 1 1  -10   10   16 o   10.600   0.3581   10.560   0.5488   10.640   0.4602 -0.7975000E-01 0.7162000 
1 1 1  -10   10   17 o   31.460   0.2393   31.210   0.3413   31.720   0.3356 -0.5113000 0.4787000 
1 1 1  -10   10   18 o   39.450   0.2668   39.470   0.3794   39.430   0.3753 0.4146000E-01 0.5337000 
1 1 1  -10   10   19 o   19.970   0.2286   19.840   0.3292   20.100   0.3171 -0.2573000 0.4571000 
1 1 1  -10   10   20 o   13.230   0.3325   13.020   0.4911   13.430   0.4484 -0.4075000 0.6650000 
1 1 1  -10   10   21 o   12.640   0.3010   12.730   0.3889   12.550   0.4594 0.1793000 0.6019000 
1 1 1  -10   10   22 o   16.050   0.2725   15.950   0.3474   16.140   0.4200 -0.1935000 0.5451000 
1 1 1  -10   10   23 o   19.990   0.2286   19.640   0.3264   20.350   0.3203 -0.7153000 0.4573000 
1 1 1  -10   10   24 o   5.9700   0.5275   5.9970   0.7502   5.9440   0.7418 0.5340000E-01 1.055000 
1 1 1  -10   10   25 o   7.4440   0.4160   7.5410   0.5968   7.3470   0.5797 0.1932000 0.8320000 
1 1 1  -10   10   26 o   12.100   0.2707   12.150   0.3641   12.050   0.4007 0.1068000 0.5414000 
1 1 1  -10   10   27 o   3.3790   0.7358   2.8900   1.0310   3.8680   1.0500 -0.9780000 1.472000 
1 1 1  -10   10   28 o   10.780   0.3884   11.280   0.4572   10.270   0.6279 1.009000 0.7767000 
1 1 1  -10   10   29 o   8.0540   0.4248   7.3970   0.6605   8.7110   0.5344 -1.314000 0.8496000 
1 1 1  -10   10   30 o   3.4400   0.8332   3.6740   1.2330   3.2050   1.1210 0.4689000 1.666000 
1 1 1  -10   10   31 o   2.4320   0.7241   2.3230   0.9964   2.5410   1.0510 -0.2182000 1.448000 
1 1 1  -10   10   32 o   4.0120   0.7973   3.0670   1.1730   4.9580   1.0800 -1.891000 1.595000 
1 1 1  -10   12    1 o   15.420   0.1704   16.040   0.2393   14.800   0.2427 1.239000 0.3408000 
1 1 1  -10   12    2 o   17.890   0.1645   17.920   0.2309   17.860   0.2344 0.6303000E-01 0.3290000 
1 1 1  -10   12    3 o   33.780   0.1966   33.510   0.2758   34.050   0.2803 -0.5378000 0.3932000 
1 1 1  -10   12    4 o   17.010   0.1671   16.730   0.2357   17.280   0.2370 -0.5499000 0.3342000 
1 1 1  -10   12    5 o   25.990   0.1881   26.100   0.2845   25.880   0.2461 0.2222000 0.3762000 
1 1 1  -10   12    6 o   68.060   0.3775   68.100   0.5713   68.020   0.4935 0.7671000E-01 0.7549000 
1 1 1  -10   12    7 o   7.8620   0.3126   8.3120   0.4565   7.4120   0.4273 0.8993000 0.6253000 
1 1 1  -10   12    8 o   25.310   0.2321   25.920   0.3604   24.690   0.2924 1.230000 0.4641000 
1 1 1  -10   12    9 o   35.710   0.2711   36.000   0.4231   35.410   0.3391 0.5925000 0.5423000 
1 1 1  -10   12   10 o   39.260   0.2591   38.690   0.3628   39.830   0.3700 -1.140000 0.5182000 
1 1 1  -10   12   11 o   43.590   0.3447   43.320   0.4831   43.860   0.4918 -0.5339000 0.6894000 
1 1 1  -10   12   12 o   20.800   0.2725   20.510   0.3710   21.080   0.3991 -0.5691000 0.5449000 
1 1 1  -10   12   13 f   15.410   0.2453   15.660   0.3457   15.170   0.3481 0.4887000 0.4906000 
1 1 1  -10   12   14 o   39.840   0.2980   40.140   0.4630   39.550   0.3754 0.5885000 0.5961000 
1 1 1  -10   12   15 o   29.970   0.2607   29.890   0.4034   30.040   0.3303 -0.1446000 0.5214000 
1 1 1  -10   12   16 o   30.980   0.2369   31.250   0.3379   30.720   0.3322 0.5317000 0.4738000 
1 1 1  -10   12   17 o   27.250   0.2276   27.300   0.3218   27.200   0.3219 0.1020000 0.4552000 
1 1 1  -10   12   18 o   26.960   0.2801   26.710   0.4007   27.200   0.3916 -0.4871000 0.5603000 
1 1 1  -10   12   19 o   8.5800   0.4160   8.2000   0.5803   8.9590   0.5962 -0.7591000 0.8320000 
1 1 1  -10   12   20 o   21.970   0.2529   21.950   0.3281   21.990   0.3850 -0.3562000E-01 0.5058000 
1 1 1  -10   12   21 o   8.5460   0.3865   9.0820   0.5254   8.0100   0.5670 1.072000 0.7730000 
1 1 1  -10   12   22 o   9.8270   0.3441   10.160   0.4822   9.4890   0.4910 0.6764000 0.6882000 
1 1 1  -10   12   23 o   7.8200   0.4135   8.1490   0.5700   7.4910   0.5991 0.6573000 0.8269000 
1 1 1  -10   12   24 o   7.1630   0.4495   6.8910   0.6754   7.4360   0.5933 -0.5452000 0.8990000 
1 1 1  -10   12   25 o   2.4540   0.7284   2.6490   1.0750   2.2600   0.9832 0.3888000 1.457000 
1 1 1  -10   12   26 o   4.3660   0.7062   4.8160   0.9415   3.9150   1.0530 0.9016000 1.412000 
1 1 1  -10   12   27 o   4.1540   0.9458   4.8700   1.4040   3.4370   1.2670 1.433000 1.892000 
1 1 1  -10   12   28 o   4.5250   0.7796   4.8430   1.1610   4.2080   1.0400 0.6352000 1.559000 
1 1 1  -10   12   29 o   2.6540   0.7812   2.5630   1.1230   2.7460   1.0860 -0.1827000 1.562000 
1 1 1  -10   12   30 o   6.8290   0.4725   6.3210   0.7005   7.3370   0.6345 -1.017000 0.9451000 
1 1 1  -10   12   31 o   5.1050   0.7549   5.1790   1.0350   5.0300   1.0990 0.1489000 1.510000 
1 1 1  -10   14    1 o   19.510   0.2190   19.310   0.3604   19.700   0.2487 -0.3837000 0.4379000 
1 1 1  -10   14    2 o   45.750   0.2492   45.810   0.3527   45.700   0.3521 0.1134000 0.4984000 
1 1 1  -10   14    3 o   16.470   0.1856   16.550   0.2634   16.380   0.2616 0.1711000 0.3713000 
1 1 1  -10   14    4 o   34.130   0.2046   34.090   0.2890   34.170   0.2897 -0.8078000E-01 0.4092000 
1 1 1  -10   14    5 o   43.760   0.2419   43.450   0.3398   44.080   0.3443 -0.6282000 0.4837000 
1 1 1  -10   14    6 o   33.760   0.2367   33.660   0.3339   33.850   0.3355 -0.1962000 0.4734000 
1 1 1  -10   14    7 o   68.430   0.4566   68.170   0.7057   68.680   0.5797 -0.5102000 0.9132000 
1 1 1  -10   14    8 o   62.550   0.4222   62.270   0.6521   62.820   0.5364 -0.5480000 0.8444000 
1 1 1  -10   14    9 o   8.6130   0.4126   7.7570   0.6744   9.4690   0.4756 -1.712000 0.8252000 
1 1 1  -10   14   10 o   25.950   0.2193   25.760   0.3097   26.150   0.3106 -0.3904000 0.4386000 
1 1 1  -10   14   11 o   26.470   0.2464   26.360   0.3784   26.580   0.3157 -0.2131000 0.4928000 
1 1 1  -10   14   12 o   13.370   0.3007   13.550   0.4505   13.200   0.3984 0.3513000 0.6014000 
1 1 1  -10   14   13 o   46.770   0.3021   46.430   0.4243   47.100   0.4303 -0.6742000 0.6043000 
1 1 1  -10   14   14 o   20.270   0.2350   20.300   0.3243   20.250   0.3403 0.5237000E-01 0.4701000 
1 1 1  -10   14   15 o   22.710   0.2284   23.140   0.3216   22.280   0.3243 0.8559000 0.4568000 
1 1 1  -10   14   16 o   23.230   0.2842   22.880   0.4106   23.580   0.3930 -0.7007000 0.5684000 
1 1 1  -10   14   17 o   9.5050   0.4421   9.5060   0.6561   9.5030   0.5929 0.3208000E-02 0.8843000 
1 1 1  -10   14   18 o   14.280   0.2871   14.110   0.3815   14.450   0.4292 -0.3452000 0.5742000 
1 1 1  -10   14   19 o   18.280   0.2634   18.060   0.3413   18.510   0.4012 -0.4513000 0.5268000 
1 1 1  -10   14   20 o   3.6260   0.7465   2.9770   1.0990   4.2750   1.0100 -1.298000 1.493000 
1 1 1  -10   14   21 o   18.600   0.2346   18.600   0.3353   18.590   0.3282 0.5144000E-02 0.4691000 
1 1 1  -10   14   22 o   3.7380   0.7484   4.3540   1.0180   3.1220   1.0970 1.231000 1.497000 
1 1 1  -10   14   23 o   9.3160   0.3608   9.3930   0.5129   9.2390   0.5075 0.1536000 0.7216000 
1 1 1  -10   14   24 o   10.910   0.3241   11.250   0.4557   10.560   0.4609 0.6823000 0.6481000 
1 1 1  -10   14   25 o   10.120   0.3439   10.420   0.4924   9.8250   0.4802 0.5947000 0.6878000 
1 1 1  -10   14   26 o   3.4210   0.9187   3.0290   1.2990   3.8120   1.3000 -0.7827000 1.837000 
1 1 1  -10   14   27 o   4.7330   0.7631   4.7610   1.1620   4.7040   0.9893 0.5663000E-01 1.526000 
1 1 1  -10   14   28 o   3.0410   0.8261   2.9030   1.1910   3.1800   1.1450 -0.2774000 1.652000 
1 1 1  -10   14   29 o   6.9430   0.5174   7.2010   0.7231   6.6860   0.7403 0.5154000 1.035000 
1 1 1  -10   14   30 o   5.6820   0.8218   5.3860   1.2980   5.9780   1.0080 -0.5924000 1.644000 
1 1 1  -10   16    1 o   23.170   0.1890   23.220   0.2671   23.120   0.2675 0.9626000E-01 0.3780000 
1 1 1  -10   16    2 o   20.060   0.2376   20.680   0.3894   19.430   0.2725 1.253000 0.4753000 
1 1 1  -10   16    3 o   23.990   0.2170   23.440   0.3034   24.540   0.3103 -1.104000 0.4340000 
1 1 1  -10   16    4 o   26.890   0.1929   27.000   0.2730   26.780   0.2724 0.2172000 0.3857000 
1 1 1  -10   16    5 o   3.6070   0.6956   3.4580   0.9981   3.7550   0.9692 -0.2973000 1.391000 
1 1 1  -10   16    6 o   17.080   0.2644   17.240   0.4067   16.930   0.3379 0.3097000 0.5288000 
1 1 1  -10   16    7 o   39.680   0.3017   39.490   0.4665   39.870   0.3826 -0.3729000 0.6033000 
1 1 1  -10   16    8 o   37.160   0.2911   36.760   0.4486   37.550   0.3712 -0.7890000 0.5822000 
1 1 1  -10   16    9 o   26.350   0.2542   26.530   0.3907   26.170   0.3253 0.3693000 0.5084000 
1 1 1  -10   16   10 f   25.710   0.2143   25.780   0.3227   25.640   0.2821 0.1313000 0.4286000 
1 1 1  -10   16   11 o   29.570   0.2225   29.660   0.3369   29.480   0.2906 0.1833000 0.4449000 
1 1 1  -10   16   12 o   15.970   0.2556   16.070   0.3593   15.870   0.3636 0.1933000 0.5112000 
1 1 1  -10   16   13 o   35.070   0.3119   35.270   0.4457   34.880   0.4366 0.3870000 0.6239000 
1 1 1  -10   16   14 o   8.2820   0.5326   8.3350   0.7521   8.2290   0.7543 0.1065000 1.065000 
1 1 1  -10   16   15 o   4.3360   0.7422   3.5460   1.1060   5.1260   0.9896 -1.580000 1.484000 
1 1 1  -10   16   16 o   3.6190   0.8071   3.9920   1.0650   3.2460   1.2130 0.7461000 1.614000 
1 1 1  -10   16   17 o   12.200   0.3262   12.370   0.4252   12.030   0.4948 0.3390000 0.6524000 
1 1 1  -10   16   18 o   9.5540   0.3467   9.4910   0.4964   9.6170   0.4841 -0.1266000 0.6934000 
1 1 1  -10   16   19 o   2.4730   0.7261   2.3260   1.0110   2.6200   1.0430 -0.2940000 1.452000 
1 1 1  -10   16   20 o   7.1590   0.4691   6.2470   0.7247   8.0720   0.5958 -1.825000 0.9382000 
1 1 1  -10   16   21 o   6.0710   0.5448   5.8970   0.7790   6.2460   0.7619 -0.3488000 1.090000 
1 1 1  -10   16   22 o   5.1090   0.6642   4.0380   1.0970   6.1800   0.7486 -2.142000 1.328000 
1 1 1  -10   16   23 o   15.870   0.2623   15.850   0.3776   15.900   0.3641 -0.4409000E-01 0.5245000 
1 1 1  -10   16   24 f   5.2520   0.8568   6.8130   1.1360   3.6920   1.2820 3.121000 1.714000 
1 1 1  -10   16   25 o   11.380   0.3699   11.290   0.5795   11.480   0.4600 -0.1888000 0.7399000 
1 1 1  -10   16   26 o   9.0010   0.4424   9.2590   0.6623   8.7430   0.5866 0.5161000 0.8847000 
1 1 1  -10   16   27 o   2.1980   0.6919   2.7000   1.1090   1.6960   0.8283 1.005000 1.384000 
1 1 1  -10   16   28 f   5.2910   0.6890   6.4900   0.7879   4.0920   1.1300 2.397000 1.378000 
1 1 1  -10   16   29 o   6.2640   0.7380   6.1310   1.1150   6.3980   0.9668 -0.2677000 1.476000 
1 1 1  -10   18    1 o   31.220   0.2106   31.020   0.2960   31.420   0.2998 -0.3986000 0.4213000 
1 1 1  -10   18    2 o   32.940   0.2141   32.890   0.3014   33.000   0.3042 -0.1033000 0.4282000 
1 1 1  -10   18    3 o   29.520   0.2060   29.510   0.2904   29.520   0.2922 -0.9304000E-02 0.4120000 
1 1 1  -10   18    4 o   11.380   0.2759   11.520   0.3832   11.230   0.3970 0.2899000 0.5518000 
1 1 1  -10   18    5 o   21.250   0.2029   21.280   0.2860   21.230   0.2878 0.5867000E-01 0.4057000 
1 1 1  -10   18    6 o   8.8860   0.3693   8.9100   0.5598   8.8630   0.4819 0.4703000E-01 0.7387000 
1 1 1  -10   18    7 o   3.6090   0.7681   3.3750   1.1480   3.8440   1.0200 -0.4685000 1.536000 
1 1 1  -10   18    8 o   14.610   0.2592   14.710   0.3907   14.510   0.3407 0.1948000 0.5184000 
1 1 1  -10   18    9 f   19.550   0.2758   19.020   0.4367   20.070   0.3369 -1.050000 0.5515000 
1 1 1  -10   18   10 o   17.710   0.2805   17.740   0.4369   17.670   0.3519 0.6871000E-01 0.5610000 
1 1 1  -10   18   11 o   14.290   0.2587   14.640   0.3840   13.950   0.3468 0.6881000 0.5174000 
1 1 1  -10   18   12 o   28.120   0.2222   28.300   0.3358   27.940   0.2910 0.3561000 0.4443000 
1 1 1  -10   18   13 o   5.5280   0.6653   6.0770   0.7711   4.9790   1.0840 1.099000 1.331000 
1 1 1  -10   18   14 o   7.3690   0.4933   7.2650   0.6469   7.4740   0.7450 -0.2088000 0.9867000 
1 1 1  -10   18   15 o   15.170   0.2675   14.890   0.3709   15.440   0.3855 -0.5491000 0.5349000 
1 1 1  -10   18   16 o   13.470   0.2886   13.370   0.3926   13.570   0.4230 -0.2001000 0.5771000 
1 1 1  -10   18   17 o   3.6480   0.7939   3.2760   1.1150   4.0190   1.1310 -0.7430000 1.588000 
1 1 1  -10   18   18 o   12.430   0.3005   12.110   0.4270   12.750   0.4229 -0.6378000 0.6010000 
1 1 1  -10   18   19 o   9.4670   0.3686   9.4840   0.5214   9.4500   0.5212 0.3449000E-01 0.7373000 
1 1 1  -10   18   20 o   4.0460   0.7544   3.8390   1.0910   4.2530   1.0420 -0.4135000 1.509000 
1 1 1  -10   18   21 o   12.400   0.2976   12.520   0.4173   12.290   0.4244 0.2257000 0.5952000 
1 1 1  -10   18   22 o   8.7170   0.5805   8.7180   0.8954   8.7160   0.7390 0.1855000E-02 1.161000 
1 1 1  -10   18   23 o   2.1790   0.7103   2.4110   1.0840   1.9470   0.9180 0.4639000 1.421000 
1 1 1  -10   18   24 o   2.7650   0.7691   3.2680   1.1660   2.2620   1.0030 1.005000 1.538000 
1 1 1  -10   18   25 o   4.7620   0.7959   5.2680   1.1390   4.2560   1.1120 1.011000 1.592000 
1 1 1  -10   18   26 o   1.9680   0.6538   2.0880   0.9635   1.8490   0.8841 0.2397000 1.308000 
1 1 1  -10   18   27 o   5.5260   0.8348   4.6050   1.3540   6.4460   0.9771 -1.841000 1.670000 
1 1 1  -10   18   28 o   1.8570   0.6379   1.7980   0.8719   1.9170   0.9313 -0.1183000 1.276000 
1 1 1  -10   20    1 o   21.550   0.2383   21.980   0.3396   21.130   0.3345 0.8476000 0.4767000 
1 1 1  -10   20    2 o   9.7690   0.3648   10.020   0.5078   9.5170   0.5239 0.5036000 0.7296000 
1 1 1  -10   20    3 o   31.690   0.2471   31.440   0.3486   31.940   0.3504 -0.4929000 0.4942000 
1 1 1  -10   20    4 o   12.450   0.2626   12.570   0.3643   12.340   0.3782 0.2287000 0.5251000 
1 1 1  -10   20    5 o   10.350   0.2970   10.070   0.4241   10.640   0.4159 -0.5682000 0.5939000 
1 1 1  -10   20    6 o   12.120   0.3406   11.090   0.5796   13.160   0.3578 -2.067000 0.6812000 
1 1 1  -10   20    7 o   17.310   0.2342   17.690   0.3507   16.930   0.3106 0.7629000 0.4684000 
1 1 1  -10   20    8 o   17.290   0.2558   17.130   0.3713   17.460   0.3519 -0.3275000 0.5116000 
1 1 1  -10   20    9 o   19.120   0.2481   19.050   0.3569   19.180   0.3448 -0.1287000 0.4962000 
1 1 1  -10   20   10 o   4.7340   0.7099   4.5400   1.0320   4.9290   0.9748 -0.3892000 1.420000 
1 1 1  -10   20   11 o   8.7850   0.3690   8.9050   0.5463   8.6650   0.4961 0.2399000 0.7379000 
1 1 1  -10   20   12 o   20.750   0.2369   20.240   0.3340   21.250   0.3360 -1.015000 0.4737000 
1 1 1  -10   20   13 o   7.3530   0.4201   7.2520   0.6359   7.4550   0.5493 -0.2036000 0.8402000 
1 1 1  -10   20   14 o   15.450   0.2470   15.450   0.3729   15.440   0.3240 0.1583000E-01 0.4940000 
1 1 1  -10   20   15 o   9.4750   0.3663   9.9380   0.4924   9.0110   0.5425 0.9269000 0.7326000 
1 1 1  -10   20   16 o   25.210   0.2421   25.060   0.3426   25.360   0.3421 -0.2959000 0.4842000 
1 1 1  -10   20   17 o   12.140   0.3133   12.050   0.4395   12.230   0.4467 -0.1786000 0.6266000 
1 1 1  -10   20   18 o   7.7870   0.4380   7.3330   0.6481   8.2410   0.5894 -0.9086000 0.8761000 
1 1 1  -10   20   19 o   7.8930   0.4362   7.4650   0.6460   8.3210   0.5863 -0.8563000 0.8724000 
1 1 1  -10   20   20 o   2.3570   0.7791   2.2430   1.0700   2.4710   1.1330 -0.2273000 1.558000 
1 1 1  -10   20   21 f   11.060   0.3728   11.240   0.5601   10.880   0.4920 0.3584000 0.7455000 
1 1 1  -10   20   22 o   1.8750   0.6311   1.5750   0.7791   2.1760   0.9930 -0.6010000 1.262000 
1 1 1  -10   20   23 o   4.8640   0.7804   5.5910   1.0560   4.1360   1.1490 1.454000 1.561000 
1 1 1  -10   20   24 o   1.9350   0.6463   1.9870   0.9281   1.8830   0.8998 0.1038000 1.293000 
1 1 1  -10   20   25 f   6.3670   0.7387   5.7970   1.1730   6.9380   0.8978 -1.141000 1.477000 
1 1 1  -10   20   26 o   1.9390   0.6682   1.9440   0.9529   1.9340   0.9369 0.1012000E-01 1.336000 
1 1 1  -10   22    1 o   17.480   0.2205   17.500   0.3110   17.460   0.3127 0.3989000E-01 0.4410000 
1 1 1  -10   22    2 o   7.4360   0.4044   7.0010   0.5963   7.8720   0.5464 -0.8713000 0.8088000 
1 1 1  -10   22    3 o   17.940   0.2179   17.910   0.3066   17.980   0.3098 -0.7588000E-01 0.4359000 
1 1 1  -10   22    4 o   4.8270   0.6175   3.9180   0.9960   5.7360   0.7303 -1.818000 1.235000 
1 1 1  -10   22    5 o   13.130   0.2556   13.080   0.3627   13.180   0.3601 -0.9457000E-01 0.5111000 
1 1 1  -10   22    6 o   3.1270   0.7774   3.0510   1.1300   3.2040   1.0680 -0.1531000 1.555000 
1 1 1  -10   22    7 o   11.210   0.3057   11.100   0.4632   11.320   0.3989 -0.2197000 0.6113000 
1 1 1  -10   22    8 o   8.8500   0.3782   8.3540   0.6053   9.3460   0.4536 -0.9920000 0.7564000 
1 1 1  -10   22    9 o   13.450   0.2742   13.240   0.4245   13.670   0.3471 -0.4299000 0.5484000 
1 1 1  -10   22   10 o   3.1670   0.7414   2.6270   1.0830   3.7080   1.0130 -1.081000 1.483000 
1 1 1  -10   22   11 o   10.210   0.3257   9.9030   0.5016   10.520   0.4155 -0.6183000 0.6513000 
1 1 1  -10   22   12 o   8.2670   0.3739   8.4260   0.5447   8.1080   0.5125 0.3183000 0.7479000 
1 1 1  -10   22   13 o   6.3810   0.4961   7.4140   0.6264   5.3490   0.7695 2.065000 0.9922000 
1 1 1  -10   22   14 o   3.5510   0.7470   4.1500   1.0710   2.9530   1.0420 1.197000 1.494000 
1 1 1  -10   22   15 o   6.7530   0.4642   6.2400   0.7387   7.2660   0.5623 -1.025000 0.9283000 
1 1 1  -10   22   16 o   7.5660   0.4135   7.7940   0.6145   7.3390   0.5535 0.4551000 0.8270000 
1 1 1  -10   22   17 o   3.0320   0.8737   2.4540   1.1370   3.6090   1.3270 -1.155000 1.747000 
1 1 1  -10   22   18 o   6.4730   0.5952   6.6160   0.8845   6.3310   0.7968 0.2847000 1.190000 
1 1 1  -10   22   19 o   7.1160   0.5453   7.6280   0.7756   6.6040   0.7667 1.024000 1.091000 
1 1 1  -10   22   20 o   2.9860   0.8155   3.5100   1.2410   2.4620   1.0590 1.048000 1.631000 
1 1 1  -10   22   21 o   3.9550   0.7973   2.9690   1.2170   4.9400   1.0300 -1.971000 1.595000 
1 1 1  -10   22   22 f   2.8890   0.8068   3.0060   1.1590   2.7720   1.1230 0.2347000 1.614000 
1 1 1  -10   22   23 o   2.8080   0.8534   2.9110   1.2410   2.7040   1.1720 0.2067000 1.707000 
1 1 1  -10   22   24 o   2.0160   0.6926   2.0580   0.9992   1.9740   0.9592 0.8335000E-01 1.385000 
1 1 1  -10   24    1 o   19.330   0.2147   19.420   0.3030   19.230   0.3043 0.1910000 0.4294000 
1 1 1  -10   24    2 o   12.440   0.2632   12.500   0.3654   12.370   0.3788 0.1296000 0.5263000 
1 1 1  -10   24    3 o   9.4290   0.3242   9.3900   0.4591   9.4670   0.4579 -0.7651000E-01 0.6484000 
1 1 1  -10   24    4 o   8.7190   0.3439   8.8580   0.4759   8.5800   0.4965 0.2779000 0.6877000 
1 1 1  -10   24    5 o   7.2410   0.4026   7.2470   0.5641   7.2340   0.5744 0.1304000E-01 0.8051000 
1 1 1  -10   24    6 o   7.9180   0.4056   8.0460   0.6085   7.7890   0.5364 0.2564000 0.8112000 
1 1 1  -10   24    7 o   5.6480   0.5544   5.7280   0.8229   5.5680   0.7432 0.1600000 1.109000 
1 1 1  -10   24    8 o   6.7680   0.4802   6.3390   0.7682   7.1970   0.5764 -0.8571000 0.9604000 
1 1 1  -10   24    9 o   2.4900   0.7264   2.4040   1.0380   2.5770   1.0170 -0.1733000 1.453000 
1 1 1  -10   24   10 o   15.040   0.2613   15.200   0.3924   14.870   0.3451 0.3337000 0.5226000 
1 1 1  -10   24   11 o   8.5300   0.3763   8.8260   0.5537   8.2350   0.5098 0.5913000 0.7526000 
1 1 1  -10   24   12 o   15.650   0.3060   16.010   0.4642   15.290   0.3988 0.7151000 0.6121000 
1 1 1  -10   24   13 o   11.430   0.3705   11.090   0.5803   11.770   0.4608 -0.6753000 0.7409000 
1 1 1  -10   24   14 o   3.3270   0.8404   3.1300   1.2110   3.5240   1.1650 -0.3935000 1.681000 
1 1 1  -10   24   15 o   6.4200   0.6042   5.2170   1.0750   7.6220   0.5509 -2.405000 1.208000 
1 1 1  -10   24   16 o   4.8050   0.7285   4.2710   1.2320   5.3400   0.7777 -1.069000 1.457000 
1 1 1  -10   24   17 o   4.5340   0.7904   4.7350   1.1440   4.3320   1.0910 0.4026000 1.581000 
1 1 1  -10   24   18 o   2.3070   0.7342   2.2910   1.0450   2.3220   1.0320 -0.3096000E-01 1.468000 
1 1 1  -10   24   19 o   5.2250   0.6571   4.4740   1.0740   5.9770   0.7574 -1.503000 1.314000 
1 1 1  -10   24   20 o   2.9520   0.8570   2.4290   1.1220   3.4740   1.2960 -1.044000 1.714000 
1 1 1  -10   24   21 f   2.6950   0.8294   2.5090   1.1450   2.8820   1.2010 -0.3733000 1.659000 
1 1 1  -10   24   22 f   9.4410   0.4128   9.5550   0.5758   9.3280   0.5917 0.2272000 0.8257000 
1 1 1  -10   26    1 o   7.1990   0.4242   6.5830   0.6504   7.8160   0.5448 -1.233000 0.8484000 
1 1 1  -10   26    2 o   2.5320   0.7368   2.2530   0.9703   2.8100   1.1090 -0.5579000 1.474000 
1 1 1  -10   26    3 o   4.3670   0.7374   5.2850   0.9088   3.4490   1.1620 1.836000 1.475000 
1 1 1  -10   26    4 o   2.9640   0.7596   2.2710   0.9980   3.6560   1.1460 -1.385000 1.519000 
1 1 1  -10   26    5 o   4.0830   0.7810   4.0930   1.0870   4.0720   1.1210 0.2076000E-01 1.562000 
1 1 1  -10   26    6 o   10.760   0.3876   10.730   0.5973   10.790   0.4940 -0.5485000E-01 0.7752000 
1 1 1  -10   26    7 f   6.2500   0.6259   6.0570   0.9810   6.4420   0.7777 -0.3850000 1.252000 
1 1 1  -10   26    8 o   6.8800   0.5543   7.0610   0.8243   6.6990   0.7412 0.3626000 1.109000 
1 1 1  -10   26    9 o   3.0330   0.7357   2.3610   1.0350   3.7060   1.0460 -1.345000 1.471000 
1 1 1  -10   26   10 o   5.1310   0.6364   4.6490   1.0350   5.6120   0.7406 -0.9625000 1.273000 
1 1 1  -10   26   11 o   2.4590   0.7104   3.0620   1.1250   1.8570   0.8675 1.205000 1.421000 
1 1 1  -10   26   12 o   4.6810   0.7827   4.9330   1.1530   4.4290   1.0590 0.5038000 1.565000 
1 1 1  -10   26   13 o   4.2350   0.8409   4.2970   1.2690   4.1730   1.1040 0.1236000 1.682000 
1 1 1  -10   26   14 o   8.1500   0.4935   8.1810   0.7545   8.1180   0.6365 0.6334000E-01 0.9871000 
1 1 1  -10   26   15 o   3.7660   0.7627   4.5720   1.0800   2.9590   1.0770 1.613000 1.525000 
1 1 1  -10   26   16 o   2.6580   0.7383   3.3790   1.1670   1.9370   0.9040 1.443000 1.477000 
1 1 1  -10   26   17 o   2.9200   0.8464   3.1590   1.2790   2.6820   1.1090 0.4761000 1.693000 
1 1 1  -10   26   18 o   2.1190   0.7054   2.1020   1.0100   2.1360   0.9854 -0.3459000E-01 1.411000 
1 1 1  -10   26   19 o   2.4700   0.7338   2.1010   0.9701   2.8390   1.1010 -0.7373000 1.468000 
1 1 1  -10   28    1 o   5.1280   0.6966   4.7340   1.0240   5.5220   0.9451 -0.7877000 1.393000 
1 1 1  -10   28    2 f   4.2630   0.7294   5.6510   0.8998   2.8750   1.1480 2.775000 1.459000 
1 1 1  -10   28    3 o   2.1410   0.6892   2.4020   1.0460   1.8810   0.8978 0.5208000 1.378000 
1 1 1  -10   28    4 o   2.5570   0.7517   2.9160   1.1310   2.1990   0.9910 0.7172000 1.503000 
1 1 1  -10   28    5 o   5.4080   0.6739   5.9060   0.8680   4.9100   1.0310 0.9961000 1.348000 
1 1 1  -10   28    6 o   5.5940   0.7361   5.1770   1.1990   6.0110   0.8539 -0.8337000 1.472000 
1 1 1  -10   28    7 o   2.6590   0.7595   2.4590   1.0770   2.8580   1.0720 -0.3992000 1.519000 
1 1 1  -10   28    8 o   5.6090   0.6109   6.2130   0.8418   5.0060   0.8855 1.207000 1.222000 
1 1 1  -10   28    9 o   6.2470   0.5848   7.7820   0.6933   4.7110   0.9420 3.071000 1.170000 
1 1 1  -10   28   10 o   2.0010   0.6659   1.9150   0.9420   2.0870   0.9413 -0.1720000 1.332000 
1 1 1  -10   28   11 o   2.4240   0.7273   2.0630   0.9893   2.7840   1.0660 -0.7217000 1.455000 
1 1 1  -10   28   12 o   3.8120   0.8881   3.4670   1.3440   4.1580   1.1620 -0.6903000 1.776000 
1 1 1  -10   28   13 o   4.4310   0.8679   4.3180   1.3280   4.5440   1.1180 -0.2257000 1.736000 
1 1 1  -10   28   14 o   1.8060   0.6207   1.5640   0.7893   2.0470   0.9581 -0.4831000 1.241000 
1 1 1  -10   28   15 o   2.0010   0.6490   1.7420   0.8452   2.2590   0.9852 -0.5173000 1.298000 
1 1 1  -10   30    1 o   2.9520   0.7780   2.2560   1.0290   3.6490   1.1670 -1.392000 1.556000 
1 1 1  -10   30    2 o   2.5800   0.7760   2.4270   1.0740   2.7330   1.1200 -0.3060000 1.552000 
1 1 1  -10   30    3 o   2.3330   0.7337   2.5900   1.1120   2.0750   0.9577 0.5150000 1.467000 
1 1 1  -10   30    4 o   2.8830   0.8038   2.6260   1.1230   3.1410   1.1510 -0.5153000 1.608000 
1 1 1  -10   30    5 o   2.5900   0.7701   2.3340   1.0410   2.8470   1.1350 -0.5130000 1.540000 
1 1 1  -10   30    6 o   2.5840   0.8009   2.6550   1.1780   2.5120   1.0850 0.1432000 1.602000 
1 1 1  -10   30    7 o   2.2780   0.7337   2.9420   1.2300   1.6150   0.8008 1.326000 1.467000 
1 1 1  -10   30    8 o   4.2610   0.8457   4.2820   1.3470   4.2400   1.0230 0.4162000E-01 1.691000 
1 1 1  -10   30    9 o   4.7740   0.7389   3.2180   1.2940   6.3300   0.7142 -3.112000 1.478000 
1 1 1  -10   30   10 o   3.3720   1.4940  ?   ?    3.3720   1.4940      ?      ? 
1 1 1   -9    1    1 o   52.670   0.3208   52.110   0.5202   53.230   0.3757 -1.123000 0.6417000 
1 1 1   -9    1    2 o   35.560   0.2313   35.720   0.3596   35.400   0.2908 0.3216000 0.4625000 
1 1 1   -9    1    3 o   42.410   0.2298   42.000   0.2973   42.830   0.3504 -0.8354000 0.4595000 
1 1 1   -9    1    4 o   66.970   0.3602   66.850   0.4704   67.090   0.5455 -0.2370000 0.7204000 
1 1 1   -9    1    5 o   46.360   0.2691   46.100   0.3785   46.620   0.3825 -0.5276000 0.5381000 
1 1 1   -9    1    6 o   37.670   0.2224   37.810   0.3155   37.530   0.3137 0.2820000 0.4449000 
1 1 1   -9    1    7 o   68.810   0.3440   68.820   0.4866   68.790   0.4862 0.3348000E-01 0.6879000 
1 1 1   -9    1    8 o   20.840   0.1254   20.830   0.1775   20.840   0.1771 -0.9579000E-02 0.2507000 
1 1 1   -9    1    9 o   21.280   0.1300   21.420   0.1846   21.130   0.1830 0.2929000 0.2599000 
1 1 1   -9    1   10 o   29.610   0.1888   29.630   0.2671   29.600   0.2669 0.2961000E-01 0.3776000 
1 1 1   -9    1   11 o   40.510   0.3009   40.620   0.4270   40.400   0.4242 0.2283000 0.6019000 
1 1 1   -9    1   12 o   27.470   0.1596   27.580   0.2263   27.370   0.2252 0.2174000 0.3193000 
1 1 1   -9    1   13 o   19.340   0.1417   19.470   0.2010   19.200   0.1999 0.2648000 0.2835000 
1 1 1   -9    1   14 f   32.410   0.1834   32.470   0.2599   32.350   0.2590 0.1218000 0.3669000 
1 1 1   -9    1   15 f   35.420   0.1982   35.250   0.2795   35.600   0.2812 -0.3491000 0.3965000 
1 1 1   -9    1   16 o   20.320   0.1641   20.170   0.2319   20.460   0.2323 -0.2914000 0.3282000 
1 1 1   -9    1   17 o   27.650   0.1967   27.690   0.2574   27.600   0.2976 0.9309000E-01 0.3935000 
1 1 1   -9    1   18 o   5.5340   0.4370   5.3480   0.6337   5.7200   0.6020 -0.3723000 0.8741000 
1 1 1   -9    1   19 o   21.660   0.2631   21.570   0.3689   21.740   0.3752 -0.1755000 0.5262000 
1 1 1   -9    1   20 o   8.4500   0.3627   8.7010   0.4953   8.2000   0.5301 0.5009000 0.7254000 
1 1 1   -9    1   21 o   20.630   0.1925   20.490   0.2718   20.760   0.2727 -0.2734000 0.3850000 
1 1 1   -9    1   22 o   32.330   0.2203   32.320   0.2881   32.340   0.3334 -0.1213000E-01 0.4406000 
1 1 1   -9    1   23 o   25.510   0.3310   25.770   0.3874   25.250   0.5368 0.5217000 0.6620000 
1 1 1   -9    1   24 o   8.9860   0.3334   9.4030   0.4220   8.5690   0.5163 0.8346000 0.6669000 
1 1 1   -9    1   25 o   9.3220   0.3165   9.2520   0.4199   9.3920   0.4737 -0.1401000 0.6330000 
1 1 1   -9    1   26 o   7.8730   0.3629   7.9420   0.4787   7.8040   0.5454 0.1379000 0.7257000 
1 1 1   -9    1   27 o   6.7270   0.4295   6.0860   0.6255   7.3680   0.5886 -1.282000 0.8589000 
1 1 1   -9    1   28 o   11.330   0.2784   11.460   0.3659   11.210   0.4196 0.2452000 0.5568000 
1 1 1   -9    1   29 o   8.8380   0.3578   9.9710   0.4130   7.7050   0.5845 2.266000 0.7157000 
1 1 1   -9    1   30 o   6.0380   0.4983   6.2930   0.6320   5.7830   0.7706 0.5101000 0.9966000 
1 1 1   -9    1   31 o   4.2090   0.8527   4.6980   1.1450   3.7190   1.2640 0.9797000 1.705000 
1 1 1   -9    1   32 o   4.5530   0.6921   5.1080   0.8277   3.9970   1.1090 1.111000 1.384000 
1 1 1   -9    1   33 o   2.9130   0.7706   2.4050   1.0370   3.4210   1.1410 -1.016000 1.541000 
1 1 1   -9    1   34 o   4.6600   0.7484   4.6710   1.0460   4.6500   1.0710 0.2160000E-01 1.497000 
1 1 1   -9    3    1 o   25.900   0.1766   26.030   0.2748   25.770   0.2219 0.2643000 0.3532000 
1 1 1   -9    3    2 o   16.320   0.1145   16.150   0.1606   16.500   0.1633 -0.3479000 0.2290000 
1 1 1   -9    3    3 f   24.940   0.1900   25.000   0.2687   24.890   0.2687 0.1077000 0.3800000 
1 1 1   -9    3    4 o   25.980   0.1990   26.220   0.2827   25.740   0.2802 0.4802000 0.3980000 
1 1 1   -9    3    5 o   67.550   0.4363   67.490   0.6757   67.620   0.5522 -0.1287000 0.8726000 
1 1 1   -9    3    6 o   37.220   0.2227   37.320   0.3160   37.110   0.3140 0.2111000 0.4454000 
1 1 1   -9    3    7 o   69.210   0.4007   69.410   0.5685   69.000   0.5649 0.4066000 0.8015000 
1 1 1   -9    3    8 o   24.450   0.1648   24.870   0.2360   24.030   0.2300 0.8391000 0.3295000 
1 1 1   -9    3    9 o   25.230   0.1706   25.180   0.2414   25.270   0.2411 -0.9323000E-01 0.3412000 
1 1 1   -9    3   10 o   26.930   0.2681   27.200   0.3149   26.660   0.4339 0.5304000 0.5361000 
1 1 1   -9    3   11 o   9.5110   0.2105   9.5820   0.2697   9.4390   0.3232 0.1431000 0.4210000 
1 1 1   -9    3   12 o   19.210   0.1523   19.430   0.1997   18.980   0.2301 0.4575000 0.3047000 
1 1 1   -9    3   13 o   20.430   0.1586   20.510   0.2073   20.340   0.2401 0.1723000 0.3172000 
1 1 1   -9    3   14 o   29.880   0.1902   29.870   0.2485   29.900   0.2881 -0.2921000E-01 0.3805000 
1 1 1   -9    3   15 o   14.260   0.1827   14.030   0.2394   14.500   0.2760 -0.4690000 0.3654000 
1 1 1   -9    3   16 o   64.870   0.3593   64.960   0.4712   64.780   0.5426 0.1821000 0.7186000 
1 1 1   -9    3   17 o   49.790   0.2862   49.540   0.3728   50.040   0.4343 -0.5029000 0.5723000 
1 1 1   -9    3   18 o   39.850   0.3190   39.440   0.4503   40.260   0.4520 -0.8135000 0.6380000 
1 1 1   -9    3   19 o   19.340   0.2293   19.400   0.3201   19.280   0.3283 0.1247000 0.4586000 
1 1 1   -9    3   20 o   24.460   0.2097   24.910   0.2753   24.020   0.3163 0.8935000 0.4193000 
1 1 1   -9    3   21 o   13.380   0.2476   12.910   0.3307   13.840   0.3686 -0.9287000 0.4952000 
1 1 1   -9    3   22 o   24.470   0.2030   24.430   0.2662   24.500   0.3066 -0.6055000E-01 0.4060000 
1 1 1   -9    3   23 o   11.740   0.4087   12.370   0.4821   11.110   0.6600 1.260000 0.8174000 
1 1 1   -9    3   24 o   8.0600   0.3563   8.4560   0.4470   7.6630   0.5549 0.7933000 0.7125000 
1 1 1   -9    3   25 o   26.240   0.2100   26.090   0.2748   26.380   0.3176 -0.2900000 0.4199000 
1 1 1   -9    3   26 o   12.700   0.2564   13.120   0.3317   12.290   0.3912 0.8327000 0.5129000 
1 1 1   -9    3   27 o   10.940   0.2888   11.160   0.3723   10.730   0.4415 0.4315000 0.5775000 
1 1 1   -9    3   28 o   5.2570   0.5557   5.0210   0.7804   5.4920   0.7915 -0.4706000 1.111000 
1 1 1   -9    3   29 o   3.6090   0.7441   3.7680   0.9986   3.4510   1.1030 0.3170000 1.488000 
1 1 1   -9    3   30 o   2.6760   0.7701   2.9890   1.1000   2.3630   1.0780 0.6263000 1.540000 
1 1 1   -9    3   31 o   7.8630   0.4406   7.9590   0.6201   7.7660   0.6262 0.1936000 0.8812000 
1 1 1   -9    3   32 f   5.4650   0.5967   5.8300   0.7223   5.1000   0.9501 0.7298000 1.193000 
1 1 1   -9    3   33 o   5.7340   0.5749   5.9720   0.7223   5.4970   0.8947 0.4756000 1.150000 
1 1 1   -9    3   34 o   2.2960   0.7382   2.1960   1.0030   2.3970   1.0830 -0.2018000 1.476000 
1 1 1   -9    5    1 o  106.700   0.6131  106.700   0.8675  106.600   0.8667 0.8947000E-01 1.226000 
1 1 1   -9    5    2 o   55.850   0.3260   55.490   0.4583   56.210   0.4639 -0.7143000 0.6521000 
1 1 1   -9    5    3 o   22.520   0.1533   22.350   0.2160   22.680   0.2176 -0.3305000 0.3066000 
1 1 1   -9    5    4 o   50.980   0.2995   51.090   0.4246   50.870   0.4224 0.2201000 0.5989000 
1 1 1   -9    5    5 o   67.110   0.3898   67.020   0.5504   67.210   0.5520 -0.1907000 0.7795000 
1 1 1   -9    5    6 o   49.590   0.2931   49.520   0.4139   49.660   0.4151 -0.1442000 0.5862000 
1 1 1   -9    5    7 o   19.790   0.1522   20.080   0.2166   19.490   0.2138 0.5872000 0.3044000 
1 1 1   -9    5    8 o   33.230   0.2573   32.860   0.3623   33.610   0.3653 -0.7448000 0.5146000 
1 1 1   -9    5    9 o   33.180   0.2349   33.530   0.3007   32.820   0.3610 0.7185000 0.4698000 
1 1 1   -9    5   10 o   30.960   0.2254   31.130   0.2876   30.800   0.3471 0.3332000 0.4508000 
1 1 1   -9    5   11 o   28.340   0.1929   28.380   0.2735   28.290   0.2721 0.9525000E-01 0.3858000 
1 1 1   -9    5   12 o   9.8290   0.2431   10.260   0.3757   9.3970   0.3085 0.8641000 0.4861000 
1 1 1   -9    5   13 o   43.310   0.2671   43.260   0.3776   43.370   0.3780 -0.1103000 0.5343000 
1 1 1   -9    5   14 o   22.300   0.1850   22.340   0.2635   22.260   0.2596 0.8006000E-01 0.3699000 
1 1 1   -9    5   15 o   18.670   0.1938   18.730   0.2782   18.620   0.2700 0.1049000 0.3877000 
1 1 1   -9    5   16 o   53.950   0.3276   53.960   0.4643   53.940   0.4624 0.2161000E-01 0.6552000 
1 1 1   -9    5   17 o   44.680   0.3151   44.480   0.3968   44.890   0.4895 -0.4101000 0.6301000 
1 1 1   -9    5   18 o   52.820   0.3980   52.480   0.5583   53.170   0.5674 -0.6804000 0.7960000 
1 1 1   -9    5   19 o   29.730   0.2187   29.230   0.2840   30.230   0.3327 -1.005000 0.4374000 
1 1 1   -9    5   20 o   18.620   0.2149   18.600   0.2793   18.640   0.3268 -0.3937000E-01 0.4298000 
1 1 1   -9    5   21 o   17.280   0.2136   17.350   0.2833   17.210   0.3197 0.1479000 0.4272000 
1 1 1   -9    5   22 o   7.4820   0.4513   7.0770   0.6432   7.8870   0.6332 -0.8096000 0.9025000 
1 1 1   -9    5   23 o   8.9670   0.3910   9.9000   0.4704   8.0330   0.6246 1.867000 0.7819000 
1 1 1   -9    5   24 o   13.810   0.2393   13.620   0.3197   14.000   0.3562 -0.3811000 0.4787000 
1 1 1   -9    5   25 o   5.3560   0.5759   6.2550   0.6008   4.4570   0.9826 1.798000 1.152000 
1 1 1   -9    5   26 o   10.470   0.2957   10.700   0.3842   10.250   0.4496 0.4456000 0.5914000 
1 1 1   -9    5   27 o   11.230   0.2847   10.990   0.3779   11.460   0.4258 -0.4676000 0.5693000 
1 1 1   -9    5   28 o   10.060   0.3091   10.110   0.4056   10.020   0.4666 0.9647000E-01 0.6183000 
1 1 1   -9    5   29 o   8.7040   0.3565   8.2710   0.4955   9.1370   0.5126 -0.8659000 0.7130000 
1 1 1   -9    5   30 o   2.7120   0.7282   3.5740   1.1410   1.8510   0.9047 1.723000 1.456000 
1 1 1   -9    5   31 o   4.0340   0.7569   3.9070   1.0520   4.1610   1.0880 -0.2539000 1.514000 
1 1 1   -9    5   32 o   4.8560   0.6685   3.5590   1.0710   6.1540   0.8002 -2.596000 1.337000 
1 1 1   -9    5   33 o   2.6000   0.7490   2.7270   1.0700   2.4730   1.0480 0.2542000 1.498000 
1 1 1   -9    7    1 o   22.490   0.1410   22.300   0.1986   22.680   0.2002 -0.3742000 0.2820000 
1 1 1   -9    7    2 o   32.740   0.1789   32.880   0.2538   32.600   0.2523 0.2838000 0.3579000 
1 1 1   -9    7    3 o   54.150   0.2765   54.180   0.3912   54.120   0.3910 0.6549000E-01 0.5531000 
1 1 1   -9    7    4 o   22.950   0.1846   22.380   0.2836   23.530   0.2363 -1.144000 0.3691000 
1 1 1   -9    7    5 o   25.590   0.2169   25.370   0.3061   25.810   0.3073 -0.4479000 0.4337000 
1 1 1   -9    7    6 o   39.520   0.2971   39.630   0.4214   39.400   0.4189 0.2340000 0.5942000 
1 1 1   -9    7    7 o   18.470   0.1783   18.540   0.2279   18.410   0.2743 0.1250000 0.3566000 
1 1 1   -9    7    8 o   35.960   0.2534   36.050   0.3218   35.870   0.3914 0.1884000 0.5067000 
1 1 1   -9    7    9 o   42.150   0.2590   42.060   0.3657   42.230   0.3670 -0.1693000 0.5181000 
1 1 1   -9    7   10 o   31.390   0.2089   31.060   0.2937   31.720   0.2972 -0.6607000 0.4179000 
1 1 1   -9    7   11 o   2.4260   0.6219   2.5760   0.8936   2.2770   0.8652 0.2995000 1.244000 
1 1 1   -9    7   12 o   29.970   0.2084   30.330   0.2982   29.610   0.2911 0.7206000 0.4168000 
1 1 1   -9    7   13 o   28.590   0.2049   28.830   0.2925   28.350   0.2871 0.4796000 0.4098000 
1 1 1   -9    7   14 o   54.820   0.3312   54.950   0.4701   54.680   0.4666 0.2752000 0.6623000 
1 1 1   -9    7   15 o   11.400   0.2657   11.540   0.3795   11.270   0.3718 0.2711000 0.5313000 
1 1 1   -9    7   16 f   22.540   0.2562   22.100   0.3662   22.990   0.3585 -0.8903000 0.5125000 
1 1 1   -9    7   17 o   27.700   0.2725   27.370   0.3885   28.040   0.3821 -0.6722000 0.5449000 
1 1 1   -9    7   18 o   22.020   0.2533   22.240   0.3957   21.810   0.3164 0.4217000 0.5066000 
1 1 1   -9    7   19 o   7.3960   0.4588   8.0560   0.6069   6.7350   0.6883 1.322000 0.9176000 
1 1 1   -9    7   20 o   30.930   0.2336   30.730   0.3311   31.130   0.3295 -0.4088000 0.4671000 
1 1 1   -9    7   21 o   10.030   0.3269   9.9030   0.4679   10.150   0.4568 -0.2455000 0.6539000 
1 1 1   -9    7   22 o   19.330   0.3214   18.840   0.3989   19.820   0.5042 -0.9834000 0.6429000 
1 1 1   -9    7   23 o   14.820   0.2756   14.900   0.3511   14.730   0.4249 0.1739000 0.5512000 
1 1 1   -9    7   24 o   18.810   0.2145   18.640   0.2847   18.980   0.3210 -0.3434000 0.4291000 
1 1 1   -9    7   25 o   8.0780   0.3651   7.6120   0.5139   8.5430   0.5188 -0.9303000 0.7302000 
1 1 1   -9    7   26 o   2.8120   0.7205   2.3110   0.9591   3.3140   1.0760 -1.003000 1.441000 
1 1 1   -9    7   27 o   9.3580   0.3296   9.1270   0.4521   9.5880   0.4797 -0.4615000 0.6592000 
1 1 1   -9    7   28 o   4.1590   0.6822   3.8310   0.9764   4.4870   0.9531 -0.6559000 1.364000 
1 1 1   -9    7   29 f   7.4000   0.5045   6.6460   0.6869   8.1540   0.7390 -1.508000 1.009000 
1 1 1   -9    7   30 f   2.4350   0.7326   2.6450   1.0770   2.2250   0.9933 0.4195000 1.465000 
1 1 1   -9    7   31 f   2.1830   0.6777   2.4100   1.0040   1.9570   0.9102 0.4526000 1.355000 
1 1 1   -9    7   32 f   2.8140   0.7395   3.3570   1.0800   2.2720   1.0100 1.085000 1.479000 
1 1 1   -9    7   33 o   3.1430   0.8622   2.7460   1.1920   3.5410   1.2460 -0.7948000 1.724000 
1 1 1   -9    9    1 o   33.870   0.2184   34.180   0.3112   33.560   0.3065 0.6207000 0.4367000 
1 1 1   -9    9    2 o   17.790   0.1681   17.580   0.2371   18.000   0.2383 -0.4236000 0.3361000 
1 1 1   -9    9    3 o   14.190   0.1736   14.120   0.2450   14.260   0.2461 -0.1390000 0.3473000 
1 1 1   -9    9    4 o   24.470   0.1810   24.410   0.2550   24.530   0.2569 -0.1218000 0.3619000 
1 1 1   -9    9    5 o   19.030   0.1697   19.060   0.2401   19.010   0.2401 0.5129000E-01 0.3395000 
1 1 1   -9    9    6 o   33.440   0.2189   33.610   0.3102   33.280   0.3088 0.3360000 0.4377000 
1 1 1   -9    9    7 o   16.580   0.1748   16.570   0.2470   16.600   0.2474 -0.2868000E-01 0.3496000 
1 1 1   -9    9    8 o   24.860   0.1882   24.780   0.2651   24.940   0.2671 -0.1623000 0.3763000 
1 1 1   -9    9    9 o   8.8860   0.2545   8.9840   0.3492   8.7870   0.3702 0.1966000 0.5089000 
1 1 1   -9    9   10 o   42.990   0.2687   42.930   0.3790   43.050   0.3810 -0.1140000 0.5374000 
1 1 1   -9    9   11 o   64.140   0.3810   63.950   0.5376   64.330   0.5400 -0.3704000 0.7619000 
1 1 1   -9    9   12 o   23.690   0.1981   23.720   0.2824   23.660   0.2779 0.5720000E-01 0.3962000 
1 1 1   -9    9   13 o   45.020   0.2831   45.310   0.4033   44.730   0.3974 0.5728000 0.5662000 
1 1 1   -9    9   14 o   28.930   0.2198   29.130   0.3158   28.720   0.3058 0.4168000 0.4396000 
1 1 1   -9    9   15 o   50.410   0.3845   50.260   0.5452   50.550   0.5423 -0.2802000 0.7690000 
1 1 1   -9    9   16 o   42.100   0.3071   42.300   0.4774   41.890   0.3865 0.4164000 0.6142000 
1 1 1   -9    9   17 o   7.1240   0.5430   6.6760   0.8797   7.5710   0.6367 -0.8947000 1.086000 
1 1 1   -9    9   18 o   34.940   0.2483   34.920   0.3513   34.950   0.3510 -0.2443000E-01 0.4966000 
1 1 1   -9    9   19 o   8.9550   0.3741   8.6750   0.5326   9.2360   0.5254 -0.5604000 0.7482000 
1 1 1   -9    9   20 o   40.710   0.3345   41.150   0.4792   40.260   0.4669 0.8902000 0.6690000 
1 1 1   -9    9   21 o   12.310   0.3453   11.980   0.5114   12.650   0.4641 -0.6698000 0.6906000 
1 1 1   -9    9   22 o   22.910   0.2486   22.870   0.3155   22.950   0.3844 -0.8326000E-01 0.4973000 
1 1 1   -9    9   23 o   11.880   0.2860   12.270   0.3905   11.480   0.4179 0.7858000 0.5720000 
1 1 1   -9    9   24 o   12.440   0.2820   12.560   0.3969   12.310   0.4007 0.2457000 0.5640000 
1 1 1   -9    9   25 o   4.4600   0.6515   3.4180   1.0290   5.5030   0.7991 -2.086000 1.303000 
1 1 1   -9    9   26 o   6.1260   0.4876   6.4650   0.6048   5.7870   0.7649 0.6780000 0.9752000 
1 1 1   -9    9   27 o   6.6550   0.4439   6.6910   0.5984   6.6190   0.6559 0.7190000E-01 0.8878000 
1 1 1   -9    9   28 o   5.0400   0.6125   4.6140   0.9005   5.4660   0.8306 -0.8521000 1.225000 
1 1 1   -9    9   29 o   8.0900   0.4932   7.1540   0.6920   9.0260   0.7030 -1.871000 0.9865000 
1 1 1   -9    9   30 f   9.5290   0.3802   8.9400   0.5830   10.120   0.4882 -1.177000 0.7604000 
1 1 1   -9    9   31 o   2.6300   0.7138   1.8540   0.8709   3.4050   1.1310 -1.551000 1.428000 
1 1 1   -9    9   32 o   2.9280   0.8069   2.5210   1.1360   3.3350   1.1470 -0.8146000 1.614000 
1 1 1   -9    9   33 o   2.1320   1.0680   2.1320   1.0680  ?   ?       ?      ? 
1 1 1   -9   11    1 o   24.360   0.1637   24.260   0.2311   24.460   0.2318 -0.1977000 0.3274000 
1 1 1   -9   11    2 o   2.2030   0.5746   2.6160   0.8501   1.7900   0.7733 0.8260000 1.149000 
1 1 1   -9   11    3 o   24.190   0.1636   24.290   0.2317   24.090   0.2310 0.1988000 0.3272000 
1 1 1   -9   11    4 o   36.770   0.2061   37.140   0.2931   36.400   0.2899 0.7346000 0.4123000 
1 1 1   -9   11    5 o   32.560   0.2056   32.330   0.3094   32.790   0.2708 -0.4530000 0.4112000 
1 1 1   -9   11    6 o   26.150   0.1857   26.130   0.2812   26.170   0.2428 -0.4304000E-01 0.3715000 
1 1 1   -9   11    7 o   29.880   0.1975   29.680   0.2976   30.070   0.2596 -0.3816000 0.3950000 
1 1 1   -9   11    8 o   17.980   0.1946   18.010   0.2772   17.950   0.2732 0.6479000E-01 0.3891000 
1 1 1   -9   11    9 o   21.440   0.1957   21.280   0.2764   21.610   0.2772 -0.3255000 0.3914000 
1 1 1   -9   11   10 o   32.860   0.2532   32.520   0.3874   33.200   0.3261 -0.6809000 0.5064000 
1 1 1   -9   11   11 o   47.490   0.2967   47.590   0.4201   47.390   0.4190 0.2029000 0.5933000 
1 1 1   -9   11   12 o   83.020   0.4878   82.450   0.6852   83.590   0.6943 -1.141000 0.9755000 
1 1 1   -9   11   13 o   47.080   0.3651   46.860   0.5143   47.310   0.5183 -0.4519000 0.7302000 
1 1 1   -9   11   14 o   13.440   0.2861   13.790   0.3626   13.100   0.4427 0.6913000 0.5723000 
1 1 1   -9   11   15 o   27.460   0.2515   27.920   0.3880   27.000   0.3202 0.9237000 0.5031000 
1 1 1   -9   11   16 o   29.210   0.2346   29.100   0.3341   29.320   0.3293 -0.2198000 0.4692000 
1 1 1   -9   11   17 o   22.690   0.2271   22.520   0.3231   22.860   0.3194 -0.3414000 0.4543000 
1 1 1   -9   11   18 o   21.990   0.2275   21.820   0.3260   22.150   0.3173 -0.3354000 0.4549000 
1 1 1   -9   11   19 o   2.4000   0.7576   2.1480   1.0180   2.6510   1.1230 -0.5027000 1.515000 
1 1 1   -9   11   20 o   14.980   0.2564   15.070   0.3691   14.890   0.3560 0.1773000 0.5128000 
1 1 1   -9   11   21 o   12.300   0.3099   12.220   0.4139   12.390   0.4613 -0.1708000 0.6198000 
1 1 1   -9   11   22 o   29.020   0.2367   28.940   0.3352   29.100   0.3342 -0.1610000 0.4734000 
1 1 1   -9   11   23 o   11.650   0.2983   11.650   0.4257   11.650   0.4178 0.2887000E-02 0.5965000 
1 1 1   -9   11   24 o   11.790   0.2933   11.630   0.4216   11.950   0.4078 -0.3178000 0.5866000 
1 1 1   -9   11   25 o   16.150   0.2503   15.960   0.3561   16.340   0.3518 -0.3835000 0.5006000 
1 1 1   -9   11   26 o   8.9710   0.3604   8.3650   0.5478   9.5770   0.4685 -1.212000 0.7208000 
1 1 1   -9   11   27 o   12.290   0.2941   12.470   0.4196   12.100   0.4122 0.3679000 0.5881000 
1 1 1   -9   11   28 o   3.6360   0.8390   2.6920   1.0940   4.5810   1.2720 -1.889000 1.678000 
1 1 1   -9   11   29 f   7.3070   0.4574   6.9920   0.6807   7.6230   0.6112 -0.6308000 0.9148000 
1 1 1   -9   11   30 o   6.7470   0.6135   5.8260   1.0560   7.6680   0.6257 -1.843000 1.227000 
1 1 1   -9   11   31 o   2.1730   0.7006   2.0430   0.9756   2.3020   1.0060 -0.2589000 1.401000 
1 1 1   -9   11   32 o   2.2160   0.7234   2.3740   1.0610   2.0570   0.9831 0.3170000 1.447000 
1 1 1   -9   13    1 o   18.470   0.1703   18.610   0.2415   18.330   0.2401 0.2817000 0.3405000 
1 1 1   -9   13    2 o   43.090   0.2360   43.260   0.3349   42.920   0.3325 0.3409000 0.4719000 
1 1 1   -9   13    3 o   23.220   0.1711   23.430   0.2422   23.000   0.2417 0.4264000 0.3422000 
1 1 1   -9   13    4 o   47.020   0.2531   47.150   0.3586   46.900   0.3572 0.2434000 0.5062000 
1 1 1   -9   13    5 o   47.200   0.2753   47.430   0.4176   46.960   0.3587 0.4746000 0.5505000 
1 1 1   -9   13    6 f   37.190   0.2313   37.250   0.3498   37.130   0.3028 0.1157000 0.4627000 
1 1 1   -9   13    7 o   58.300   0.3298   58.070   0.4971   58.540   0.4335 -0.4715000 0.6596000 
1 1 1   -9   13    8 o   28.340   0.2436   27.950   0.3760   28.730   0.3099 -0.7784000 0.4872000 
1 1 1   -9   13    9 o   74.450   0.4411   74.350   0.6230   74.550   0.6245 -0.2024000 0.8822000 
1 1 1   -9   13   10 o   13.350   0.3087   13.790   0.4257   12.910   0.4473 0.8826000 0.6174000 
1 1 1   -9   13   11 o   18.150   0.2848   18.410   0.3834   17.880   0.4213 0.5317000 0.5696000 
1 1 1   -9   13   12 o   30.030   0.2584   30.160   0.3950   29.900   0.3333 0.2597000 0.5168000 
1 1 1   -9   13   13 o   25.490   0.2523   25.240   0.3837   25.730   0.3278 -0.4959000 0.5047000 
1 1 1   -9   13   14 o   20.620   0.2305   20.530   0.3287   20.700   0.3233 -0.1653000 0.4610000 
1 1 1   -9   13   15 o   25.150   0.2869   24.990   0.4072   25.320   0.4042 -0.3279000 0.5738000 
1 1 1   -9   13   16 o   19.660   0.2330   19.400   0.3315   19.920   0.3276 -0.5207000 0.4661000 
1 1 1   -9   13   17 o   13.900   0.3341   14.080   0.4816   13.710   0.4632 0.3625000 0.6682000 
1 1 1   -9   13   18 o   18.420   0.2620   18.110   0.3357   18.720   0.4024 -0.6145000 0.5240000 
1 1 1   -9   13   19 o   12.200   0.3197   12.580   0.4080   11.830   0.4923 0.7455000 0.6394000 
1 1 1   -9   13   20 o   16.540   0.2496   16.340   0.3579   16.740   0.3479 -0.3968000 0.4991000 
1 1 1   -9   13   21 o   14.040   0.2650   14.190   0.3737   13.880   0.3757 0.3065000 0.5300000 
1 1 1   -9   13   22 o   4.8110   0.6531   6.2510   0.7193   3.3710   1.0900 2.880000 1.306000 
1 1 1   -9   13   23 o   6.6040   0.6195   5.3690   1.1010   7.8380   0.5689 -2.469000 1.239000 
1 1 1   -9   13   24 o   7.7470   0.4328   8.3240   0.5931   7.1700   0.6305 1.154000 0.8656000 
1 1 1   -9   13   25 o   4.7250   0.6821   4.4560   1.0330   4.9950   0.8913 -0.5391000 1.364000 
1 1 1   -9   13   26 o   7.3890   0.6045   7.0930   0.8852   7.6840   0.8233 -0.5910000 1.209000 
1 1 1   -9   13   27 o   2.8050   0.7867   2.6720   1.0980   2.9390   1.1270 -0.2678000 1.573000 
1 1 1   -9   13   28 o   4.6300   0.7748   5.4260   1.0530   3.8350   1.1370 1.591000 1.550000 
1 1 1   -9   13   29 o   4.2720   0.8289   4.2420   1.2540   4.3010   1.0850 -0.5876000E-01 1.658000 
1 1 1   -9   13   30 o   2.4600   0.7481   2.5470   1.0750   2.3720   1.0410 0.1750000 1.496000 
1 1 1   -9   13   31 o   1.9050   0.6528   1.7580   0.8625   2.0510   0.9801 -0.2931000 1.306000 
1 1 1   -9   15    1 o   24.970   0.2101   25.010   0.2956   24.930   0.2985 0.7595000E-01 0.4202000 
1 1 1   -9   15    2 o   10.160   0.2898   10.530   0.3928   9.7880   0.4261 0.7460000 0.5795000 
1 1 1   -9   15    3 o   21.750   0.2101   21.730   0.2960   21.780   0.2984 -0.4540000E-01 0.4203000 
1 1 1   -9   15    4 o   64.730   0.3884   64.570   0.5477   64.890   0.5509 -0.3204000 0.7769000 
1 1 1   -9   15    5 o   42.350   0.2752   42.570   0.3901   42.130   0.3883 0.4392000 0.5504000 
1 1 1   -9   15    6 o   59.490   0.4051   59.540   0.6284   59.440   0.5114 0.9524000E-01 0.8102000 
1 1 1   -9   15    7 o   37.820   0.2875   37.820   0.4446   37.820   0.3646 0.1225000E-02 0.5750000 
1 1 1   -9   15    8 f   39.750   0.2496   39.730   0.3779   39.760   0.3262 -0.3482000E-01 0.4992000 
1 1 1   -9   15    9 o   25.660   0.2476   25.240   0.3810   26.090   0.3162 -0.8532000 0.4951000 
1 1 1   -9   15   10 o   37.880   0.2920   38.230   0.4533   37.520   0.3683 0.7048000 0.5840000 
1 1 1   -9   15   11 o   48.140   0.3089   47.710   0.4364   48.570   0.4374 -0.8585000 0.6178000 
1 1 1   -9   15   12 o   39.390   0.2690   39.230   0.3801   39.540   0.3807 -0.3085000 0.5379000 
1 1 1   -9   15   13 o   7.8170   0.4383   8.0000   0.5908   7.6340   0.6475 0.3657000 0.8765000 
1 1 1   -9   15   14 o   24.610   0.2344   24.440   0.3248   24.780   0.3380 -0.3445000 0.4688000 
1 1 1   -9   15   15 o   22.140   0.2880   22.310   0.4089   21.960   0.4057 0.3454000 0.5760000 
1 1 1   -9   15   16 o   14.630   0.2695   14.190   0.3873   15.070   0.3750 -0.8861000 0.5391000 
1 1 1   -9   15   17 o   9.4660   0.3870   9.7340   0.4815   9.1980   0.6061 0.5356000 0.7741000 
1 1 1   -9   15   18 o   11.350   0.3429   11.920   0.4351   10.780   0.5301 1.140000 0.6858000 
1 1 1   -9   15   19 o   13.060   0.2769   12.590   0.4041   13.530   0.3788 -0.9389000 0.5539000 
1 1 1   -9   15   20 o   20.010   0.2374   20.090   0.3337   19.920   0.3379 0.1636000 0.4749000 
1 1 1   -9   15   21 o   10.890   0.3242   10.740   0.4664   11.040   0.4503 -0.2933000 0.6483000 
1 1 1   -9   15   22 o   5.8370   0.5493   6.1990   0.7165   5.4740   0.8328 0.7250000 1.099000 
1 1 1   -9   15   23 o   11.580   0.3130   11.570   0.4420   11.580   0.4434 -0.1278000E-01 0.6261000 
1 1 1   -9   15   24 o   10.480   0.3360   10.520   0.4816   10.440   0.4686 0.8742000E-01 0.6720000 
1 1 1   -9   15   25 o   6.5590   0.6840   6.5750   0.9603   6.5420   0.9743 0.3316000E-01 1.368000 
1 1 1   -9   15   26 o   5.6170   0.6734   5.3270   1.0760   5.9060   0.8098 -0.5785000 1.347000 
1 1 1   -9   15   27 o   3.1790   0.8417   3.4020   1.2450   2.9550   1.1330 0.4462000 1.683000 
1 1 1   -9   15   28 o   4.1580   0.7606   5.1450   0.9910   3.1710   1.1540 1.973000 1.521000 
1 1 1   -9   15   29 o   3.9570   0.8266   3.7790   1.1940   4.1360   1.1440 -0.3574000 1.653000 
1 1 1   -9   15   30 o   2.3320   0.7690   2.5660   1.1760   2.0990   0.9917 0.4664000 1.538000 
1 1 1   -9   17    1 o   16.530   0.2478   16.550   0.3461   16.500   0.3549 0.5594000E-01 0.4957000 
1 1 1   -9   17    2 o   19.390   0.2545   19.140   0.3870   19.640   0.3307 -0.5060000 0.5090000 
1 1 1   -9   17    3 o   14.020   0.2688   13.930   0.3778   14.120   0.3826 -0.1892000 0.5377000 
1 1 1   -9   17    4 o   29.900   0.2353   30.010   0.3307   29.800   0.3347 0.2041000 0.4705000 
1 1 1   -9   17    5 o   23.910   0.2284   24.230   0.3180   23.590   0.3279 0.6417000 0.4568000 
1 1 1   -9   17    6 o   15.440   0.2426   15.710   0.3636   15.180   0.3213 0.5293000 0.4852000 
1 1 1   -9   17    7 o   21.680   0.2193   21.630   0.3333   21.730   0.2852 -0.1054000 0.4387000 
1 1 1   -9   17    8 o   26.830   0.2206   26.760   0.3349   26.890   0.2873 -0.1253000 0.4412000 
1 1 1   -9   17    9 o   40.600   0.2582   40.720   0.3912   40.470   0.3372 0.2507000 0.5165000 
1 1 1   -9   17   10 o   23.060   0.2174   22.850   0.3290   23.280   0.2844 -0.4326000 0.4349000 
1 1 1   -9   17   11 o   10.280   0.3973   9.9930   0.6325   10.570   0.4809 -0.5786000 0.7946000 
1 1 1   -9   17   12 o   15.320   0.3277   15.180   0.4723   15.470   0.4545 -0.2960000 0.6555000 
1 1 1   -9   17   13 o   3.0790   0.7457   3.9130   1.1090   2.2460   0.9971 1.667000 1.491000 
1 1 1   -9   17   14 o   12.020   0.3087   11.940   0.4242   12.110   0.4487 -0.1648000 0.6174000 
1 1 1   -9   17   15 o   4.6190   0.7771   4.9610   0.9474   4.2780   1.2320 0.6831000 1.554000 
1 1 1   -9   17   16 o   16.180   0.2609   15.990   0.3559   16.370   0.3815 -0.3853000 0.5217000 
1 1 1   -9   17   17 o   3.5830   0.7877   3.7900   1.0880   3.3770   1.1390 0.4125000 1.575000 
1 1 1   -9   17   18 o   3.6250   0.7773   3.9980   1.0840   3.2520   1.1140 0.7458000 1.555000 
1 1 1   -9   17   19 o   12.380   0.2923   12.360   0.4140   12.400   0.4129 -0.3196000E-01 0.5847000 
1 1 1   -9   17   20 o   9.8320   0.3473   9.4950   0.4975   10.170   0.4847 -0.6724000 0.6946000 
1 1 1   -9   17   21 o   10.130   0.3451   10.530   0.4708   9.7280   0.5048 0.8018000 0.6903000 
1 1 1   -9   17   22 o   7.8400   0.4202   7.3730   0.6184   8.3070   0.5691 -0.9345000 0.8404000 
1 1 1   -9   17   23 o   3.1970   0.8749   2.8260   1.1770   3.5670   1.2950 -0.7413000 1.750000 
1 1 1   -9   17   24 o   8.2460   0.4251   8.6880   0.5966   7.8040   0.6058 0.8839000 0.8503000 
1 1 1   -9   17   25 o   5.0680   0.7637   4.8640   1.2000   5.2720   0.9453 -0.4074000 1.527000 
1 1 1   -9   17   26 o   2.3670   0.7511   2.6300   1.1490   2.1040   0.9682 0.5267000 1.502000 
1 1 1   -9   17   27 f   4.4410   0.7643   4.4740   1.0870   4.4080   1.0750 0.6611000E-01 1.529000 
1 1 1   -9   17   28 o   10.210   0.4828   9.2710   0.7573   11.140   0.5991 -1.873000 0.9656000 
1 1 1   -9   17   29 o   3.2540   1.4360   3.2540   1.4360  ?   ?       ?      ? 
1 1 1   -9   19    1 o   13.440   0.2515   13.650   0.3503   13.240   0.3610 0.4172000 0.5030000 
1 1 1   -9   19    2 o   27.090   0.2360   27.530   0.3291   26.640   0.3384 0.8917000 0.4721000 
1 1 1   -9   19    3 o   19.420   0.2298   19.600   0.2944   19.250   0.3530 0.3507000 0.4596000 
1 1 1   -9   19    4 o   8.7870   0.3861   7.9010   0.6184   9.6730   0.4625 -1.772000 0.7722000 
1 1 1   -9   19    5 o   35.700   0.2597   35.220   0.3642   36.190   0.3703 -0.9655000 0.5194000 
1 1 1   -9   19    6 o   13.930   0.3205   13.640   0.5054   14.230   0.3942 -0.5881000 0.6410000 
1 1 1   -9   19    7 o   22.110   0.2677   22.660   0.4182   21.550   0.3345 1.108000 0.5355000 
1 1 1   -9   19    8 o   24.780   0.2680   25.220   0.4215   24.340   0.3311 0.8815000 0.5360000 
1 1 1   -9   19    9 o   3.2620   0.7558   2.8220   1.1030   3.7020   1.0340 -0.8802000 1.512000 
1 1 1   -9   19   10 o   5.1010   0.6194   5.4960   0.8690   4.7060   0.8827 0.7897000 1.239000 
1 1 1   -9   19   11 o   15.660   0.2620   15.870   0.3700   15.460   0.3710 0.4142000 0.5240000 
1 1 1   -9   19   12 o   13.150   0.2864   12.890   0.4150   13.420   0.3949 -0.5280000 0.5729000 
1 1 1   -9   19   13 o   18.450   0.2281   18.240   0.3461   18.670   0.2971 -0.4291000 0.4561000 
1 1 1   -9   19   14 o   13.360   0.2829   13.160   0.3960   13.560   0.4042 -0.3918000 0.5658000 
1 1 1   -9   19   15 o   14.270   0.2741   14.100   0.3881   14.430   0.3871 -0.3288000 0.5481000 
1 1 1   -9   19   16 o   3.6910   0.7361   2.5220   1.0490   4.8590   1.0330 -2.337000 1.472000 
1 1 1   -9   19   17 o   5.4800   0.6250   5.5750   0.8140   5.3860   0.9486 0.1896000 1.250000 
1 1 1   -9   19   18 o   18.620   0.2476   18.650   0.3450   18.590   0.3553 0.6113000E-01 0.4953000 
1 1 1   -9   19   19 o   18.340   0.2503   18.640   0.3481   18.050   0.3597 0.5882000 0.5006000 
1 1 1   -9   19   20 o   4.7350   0.6987   4.3800   1.0470   5.0900   0.9250 -0.7093000 1.397000 
1 1 1   -9   19   21 o   6.5140   0.6697   6.3380   0.9264   6.6900   0.9673 -0.3524000 1.339000 
1 1 1   -9   19   22 o   8.3400   0.4310   7.9980   0.6351   8.6810   0.5827 -0.6827000 0.8619000 
1 1 1   -9   19   23 f   5.2670   0.7402   4.8150   1.1890   5.7190   0.8818 -0.9040000 1.480000 
1 1 1   -9   19   24 o   4.1670   0.8340   4.8080   1.1960   3.5260   1.1630 1.282000 1.668000 
1 1 1   -9   19   25 o   2.1760   0.6887   2.6350   1.0930   1.7180   0.8381 0.9173000 1.377000 
1 1 1   -9   19   26 o   2.3120   0.7619   2.2720   1.0750   2.3530   1.0800 -0.8150000E-01 1.524000 
1 1 1   -9   19   27 o   5.6380   0.8353   4.9900   1.3380   6.2860   1.0010 -1.296000 1.671000 
1 1 1   -9   21    1 o   39.220   0.2774   39.220   0.3916   39.220   0.3929 -0.4120000E-03 0.5547000 
1 1 1   -9   21    2 o   30.910   0.2513   30.700   0.3564   31.130   0.3545 -0.4244000 0.5026000 
1 1 1   -9   21    3 o   10.460   0.3508   10.600   0.4961   10.320   0.4961 0.2826000 0.7016000 
1 1 1   -9   21    4 o   7.5270   0.4668   7.7090   0.6366   7.3460   0.6829 0.3627000 0.9336000 
1 1 1   -9   21    5 o   8.5250   0.4116   8.5670   0.5892   8.4820   0.5749 0.8529000E-01 0.8232000 
1 1 1   -9   21    6 o   20.520   0.2403   20.380   0.3390   20.650   0.3407 -0.2683000 0.4806000 
1 1 1   -9   21    7 o   7.3750   0.4328   7.2900   0.6550   7.4610   0.5658 -0.1709000 0.8655000 
1 1 1   -9   21    8 o   6.7330   0.4723   7.0160   0.6889   6.4490   0.6464 0.5674000 0.9447000 
1 1 1   -9   21    9 o   8.5240   0.3820   8.8850   0.5615   8.1630   0.5181 0.7218000 0.7640000 
1 1 1   -9   21   10 o   5.6220   0.5516   5.7560   0.8033   5.4890   0.7560 0.2672000 1.103000 
1 1 1   -9   21   11 o   2.5360   0.7192   2.9950   1.1030   2.0770   0.9235 0.9181000 1.438000 
1 1 1   -9   21   12 o   6.8770   0.4553   7.3040   0.6554   6.4510   0.6321 0.8524000 0.9106000 
1 1 1   -9   21   13 o   4.8660   0.6364   4.6790   0.9704   5.0530   0.8236 -0.3742000 1.273000 
1 1 1   -9   21   14 o   14.840   0.2516   14.750   0.3770   14.920   0.3331 -0.1656000 0.5031000 
1 1 1   -9   21   15 o   14.510   0.2563   14.580   0.3889   14.430   0.3339 0.1526000 0.5125000 
1 1 1   -9   21   16 o   11.030   0.3318   10.600   0.4788   11.460   0.4594 -0.8598000 0.6636000 
1 1 1   -9   21   17 o   3.9520   0.7803   3.6090   1.1100   4.2940   1.0970 -0.6849000 1.561000 
1 1 1   -9   21   18 o   18.650   0.3283   19.030   0.4376   18.260   0.4895 0.7726000 0.6566000 
1 1 1   -9   21   19 o   3.7180   0.8363   2.2120   1.0290   5.2230   1.3190 -3.011000 1.673000 
1 1 1   -9   21   20 o   11.660   0.3327   11.150   0.4832   12.170   0.4575 -1.026000 0.6654000 
1 1 1   -9   21   21 o   7.3740   0.5390   7.2410   0.8254   7.5070   0.6935 -0.2656000 1.078000 
1 1 1   -9   21   22 o   4.4900   0.8052   5.5700   1.0750   3.4100   1.1990 2.160000 1.610000 
1 1 1   -9   21   23 o   4.4030   0.7820   3.6550   1.1870   5.1510   1.0180 -1.497000 1.564000 
1 1 1   -9   21   24 f   4.8540   0.8482   3.5170   1.3390   6.1900   1.0420 -2.673000 1.696000 
1 1 1   -9   21   25 o   4.3100   0.9210   4.9280   1.3060   3.6920   1.2990 1.236000 1.842000 
1 1 1   -9   23    1 o   12.300   0.2681   12.140   0.3832   12.460   0.3750 -0.3220000 0.5362000 
1 1 1   -9   23    2 o   12.950   0.2614   12.960   0.3668   12.940   0.3726 0.1324000E-01 0.5228000 
1 1 1   -9   23    3 o   16.560   0.2269   16.390   0.3232   16.720   0.3186 -0.3262000 0.4539000 
1 1 1   -9   23    4 f   3.0710   0.6913   3.9650   1.0030   2.1760   0.9512 1.789000 1.383000 
1 1 1   -9   23    5 o   8.2840   0.3649   8.0640   0.5234   8.5050   0.5086 -0.4412000 0.7298000 
1 1 1   -9   23    6 o   7.2480   0.4403   7.5450   0.6440   6.9500   0.6006 0.5954000 0.8806000 
1 1 1   -9   23    7 o   3.9200   0.7318   3.4760   1.1210   4.3630   0.9409 -0.8865000 1.464000 
1 1 1   -9   23    8 o   10.390   0.3264   10.230   0.4986   10.550   0.4214 -0.3234000 0.6529000 
1 1 1   -9   23    9 o   3.9220   0.7470   4.4790   1.0590   3.3660   1.0540 1.113000 1.494000 
1 1 1   -9   23   10 o   4.6050   0.6626   5.0060   0.9316   4.2040   0.9424 0.8022000 1.325000 
1 1 1   -9   23   11 o   8.0610   0.3939   7.7370   0.6087   8.3850   0.5003 -0.6474000 0.7879000 
1 1 1   -9   23   12 o   5.1620   0.6111   4.9090   0.9542   5.4140   0.7638 -0.5054000 1.222000 
1 1 1   -9   23   13 o   4.1820   0.7172   4.1890   1.0640   4.1750   0.9619 0.1408000E-01 1.434000 
1 1 1   -9   23   14 o   8.7280   0.3654   9.0380   0.5417   8.4170   0.4904 0.6206000 0.7307000 
1 1 1   -9   23   15 o   5.9220   0.6635   5.6620   1.0130   6.1830   0.8573 -0.5207000 1.327000 
1 1 1   -9   23   16 o   3.6460   0.8207   2.9090   1.1820   4.3820   1.1390 -1.473000 1.641000 
1 1 1   -9   23   17 o   4.8980   0.6728   5.4600   0.9047   4.3350   0.9962 1.125000 1.346000 
1 1 1   -9   23   18 o   4.8980   0.7680   4.3530   1.2080   5.4430   0.9479 -1.090000 1.536000 
1 1 1   -9   23   19 o   4.7590   0.7935   4.8220   1.1660   4.6950   1.0770 0.1267000 1.587000 
1 1 1   -9   23   20 o   4.9330   0.7299   5.7580   0.9010   4.1070   1.1480 1.650000 1.460000 
1 1 1   -9   23   21 o   2.4950   0.7476   2.0900   0.9696   2.9010   1.1380 -0.8107000 1.495000 
1 1 1   -9   23   22 o   2.6870   0.8130   2.2370   1.0580   3.1360   1.2340 -0.8992000 1.626000 
1 1 1   -9   23   23 o   5.7850   0.6631   6.5470   0.8020   5.0230   1.0560 1.524000 1.326000 
1 1 1   -9   25    1 o   3.7720   0.6823   2.8450   1.0440   4.6980   0.8792 -1.853000 1.365000 
1 1 1   -9   25    2 o   2.1830   0.6742   2.1630   0.9466   2.2030   0.9602 -0.3991000E-01 1.348000 
1 1 1   -9   25    3 o   7.6690   0.3896   7.3380   0.5702   8.0010   0.5310 -0.6627000 0.7791000 
1 1 1   -9   25    4 o   8.2320   0.3619   8.3670   0.5047   8.0970   0.5188 0.2703000 0.7239000 
1 1 1   -9   25    5 o   10.580   0.2976   10.440   0.4228   10.720   0.4188 -0.2836000 0.5951000 
1 1 1   -9   25    6 o   7.9950   0.4070   8.4600   0.5973   7.5310   0.5530 0.9295000 0.8140000 
1 1 1   -9   25    7 o   6.5710   0.4987   6.3650   0.7803   6.7770   0.6212 -0.4118000 0.9974000 
1 1 1   -9   25    8 o   3.5860   0.7442   2.9370   1.1330   4.2350   0.9646 -1.298000 1.488000 
1 1 1   -9   25    9 o   3.0150   0.8247   2.8050   1.1660   3.2260   1.1660 -0.4211000 1.649000 
1 1 1   -9   25   10 o   7.6380   0.5067   7.4340   0.7838   7.8410   0.6424 -0.4065000 1.013000 
1 1 1   -9   25   11 o   3.8830   0.8452   3.8820   1.2360   3.8840   1.1540 -0.1793000E-02 1.690000 
1 1 1   -9   25   12 o   10.200   0.3319   10.270   0.4955   10.140   0.4416 0.1320000 0.6638000 
1 1 1   -9   25   13 o   3.5580   0.7251   4.5840   1.0230   2.5310   1.0280 2.053000 1.450000 
1 1 1   -9   25   14 o   9.6440   0.3841   9.1820   0.5698   10.110   0.5152 -0.9254000 0.7681000 
1 1 1   -9   25   15 o   4.5690   0.7853   4.2100   1.2150   4.9270   0.9950 -0.7170000 1.571000 
1 1 1   -9   25   16 o   4.9040   0.7742   4.7670   1.1920   5.0420   0.9886 -0.2743000 1.548000 
1 1 1   -9   25   17 o   2.6190   0.7771   2.8930   1.1790   2.3450   1.0130 0.5484000 1.554000 
1 1 1   -9   25   18 o   2.1270   0.6866   2.3120   1.0300   1.9410   0.9079 0.3706000 1.373000 
1 1 1   -9   25   19 f   3.2790   0.8150   2.3650   1.1030   4.1930   1.2010 -1.828000 1.630000 
1 1 1   -9   25   20 o   4.6110   0.8090   4.6830   1.1050   4.5390   1.1810 0.1443000 1.618000 
1 1 1   -9   27    1 o   3.6660   0.7858   3.8120   1.1410   3.5210   1.0810 0.2908000 1.572000 
1 1 1   -9   27    2 o   6.3020   0.4919   5.8230   0.7531   6.7810   0.6331 -0.9581000 0.9838000 
1 1 1   -9   27    3 o   6.3950   0.4711   6.6110   0.6670   6.1790   0.6655 0.4315000 0.9422000 
1 1 1   -9   27    4 o   7.7030   0.3947   7.8880   0.5571   7.5180   0.5592 0.3706000 0.7894000 
1 1 1   -9   27    5 o   3.3930   0.7404   2.9250   1.0670   3.8610   1.0260 -0.9355000 1.481000 
1 1 1   -9   27    6 o   2.1170   0.6742   2.3870   1.0360   1.8460   0.8629 0.5406000 1.348000 
1 1 1   -9   27    7 o   3.6990   0.7335   5.2740   1.0980   2.1250   0.9723 3.149000 1.467000 
1 1 1   -9   27    8 o   2.9900   0.8423   3.3480   1.2860   2.6320   1.0890 0.7161000 1.685000 
1 1 1   -9   27    9 f   3.4580   0.8533   4.2630   1.3080   2.6520   1.0960 1.612000 1.707000 
1 1 1   -9   27   10 o   2.6170   0.7944   2.7560   1.1840   2.4770   1.0600 0.2791000 1.589000 
1 1 1   -9   27   11 f   5.3920   0.6776   5.7040   1.0660   5.0800   0.8363 0.6236000 1.355000 
1 1 1   -9   27   12 o   2.3580   0.7236   2.4790   1.0670   2.2380   0.9780 0.2406000 1.447000 
1 1 1   -9   27   13 o   1.8380   0.6184   1.7610   0.8574   1.9150   0.8914 -0.1541000 1.237000 
1 1 1   -9   27   14 o   2.8690   0.8018   3.3760   1.2470   2.3620   1.0090 1.014000 1.604000 
1 1 1   -9   27   15 o   3.5530   0.9541   3.8600   1.4970   3.2470   1.1840 0.6134000 1.908000 
1 1 1   -9   27   16 o   2.1860   0.7215   2.2760   1.0640   2.0960   0.9752 0.1803000 1.443000 
1 1 1   -9   27   17 o   5.3430   0.6625   4.6090   1.0840   6.0780   0.7623 -1.469000 1.325000 
1 1 1   -9   29    1 o   2.5010   0.6901   1.7230   0.8307   3.2780   1.1020 -1.555000 1.380000 
1 1 1   -9   29    2 o   3.2010   0.7752   2.9970   1.0980   3.4050   1.0940 -0.4086000 1.550000 
1 1 1   -9   29    3 o   1.9350   0.6284   1.6030   0.7842   2.2670   0.9821 -0.6639000 1.257000 
1 1 1   -9   29    4 o   2.2660   0.6811   2.7910   1.0770   1.7400   0.8340 1.051000 1.362000 
1 1 1   -9   29    5 o   2.8030   0.7404   2.3310   1.0050   3.2760   1.0880 -0.9443000 1.481000 
1 1 1   -9   29    6 o   2.3910   0.7312   2.4330   1.0660   2.3490   1.0010 0.8427000E-01 1.462000 
1 1 1   -9   29    7 o   5.9980   0.5831   6.9000   0.7485   5.0950   0.8942 1.805000 1.166000 
1 1 1   -9   29    8 o   3.7540   0.9148   3.8690   1.3950   3.6390   1.1840 0.2297000 1.830000 
1 1 1   -9   29    9 f   2.5540   0.7726   2.1550   1.0380   2.9530   1.1450 -0.7972000 1.545000 
1 1 1   -9   29   10 o   4.1880   0.9020   4.1530   1.3990   4.2230   1.1380 -0.6998000E-01 1.804000 
1 1 1   -9   29   11 o   3.6080   0.9037   2.7720   1.2990   4.4430   1.2560 -1.671000 1.807000 
1 1 1   -9   29   12 o   2.4180   0.7535   2.5680   1.1340   2.2680   0.9918 0.2995000 1.507000 
1 1 1   -9   29   13 o   2.5560   0.7497   2.3000   1.0370   2.8110   1.0830 -0.5108000 1.499000 
1 1 1   -9   31    1 o   2.2490   0.7125   1.9200   0.9221   2.5790   1.0860 -0.6595000 1.425000 
1 1 1   -9   31    2 o   1.6540   0.5783   1.4700   0.7415   1.8370   0.8878 -0.3678000 1.157000 
1 1 1   -9   31    3 o   1.9870   0.6665   2.1300   0.9899   1.8450   0.8926 0.2853000 1.333000 
1 1 1   -9   31    4 o   2.4160   0.7438   1.9600   0.9389   2.8730   1.1540 -0.9123000 1.488000 
1 1 1   -8    0    1 o   18.580   0.1917   18.580   0.1917   18.580   0.1917 -0.000000 0.000000 
1 1 1   -8    0    2 o   7.1250   0.0869   7.1250   0.0869   7.1250   0.0869 -0.000000 0.000000 
1 1 1   -8    0    3 o   7.5690   0.0915   7.5690   0.0915   7.5690   0.0915 -0.000000 0.000000 
1 1 1   -8    0    4 o   29.780   0.2482   29.780   0.2482   29.780   0.2482 -0.000000 0.000000 
1 1 1   -8    0    5 o   6.7620   0.1934   6.7620   0.1934   6.7620   0.1934 -0.000000 0.000000 
1 1 1   -8    0    6 o   52.730   0.5297   52.730   0.5297   52.730   0.5297 -0.000000 0.000000 
1 1 1   -8    0    7 o   12.040   0.2135   12.040   0.2135   12.040   0.2135 -0.000000 0.000000 
1 1 1   -8    0    8 o   77.380   0.5465   77.380   0.5465   77.380   0.5465 -0.000000 0.000000 
1 1 1   -8    0    9 o   25.040   0.2026   25.040   0.2026   25.040   0.2026 -0.000000 0.000000 
1 1 1   -8    0   10 o   7.2930   0.3460   7.2930   0.3460   7.2930   0.3460 -0.000000 0.000000 
1 1 1   -8    0   11 o   10.320   0.2934   10.320   0.2934   10.320   0.2934 -0.000000 0.000000 
1 1 1   -8    0   12 o   43.130   0.3191   43.130   0.3191   43.130   0.3191 -0.000000 0.000000 
1 1 1   -8    0   13 o   8.2380   0.2774   8.2380   0.2774   8.2380   0.2774 -0.000000 0.000000 
1 1 1   -8    0   14 o   1.3370   0.8339   1.3370   0.8339   1.3370   0.8339 -0.000000 0.000000 
1 1 1   -8    0   15 f   35.850   0.2829   35.850   0.2829   35.850   0.2829 -0.000000 0.000000 
1 1 1   -8    0   16 o   10.560   0.3096   10.560   0.3096   10.560   0.3096 -0.000000 0.000000 
1 1 1   -8    0   17 o   24.270   0.2509   24.270   0.2509   24.270   0.2509 -0.000000 0.000000 
1 1 1   -8    0   18 o   22.740   0.2926   22.740   0.2926   22.740   0.2926 -0.000000 0.000000 
1 1 1   -8    0   19 o   11.070   0.5227   11.070   0.5227   11.070   0.5227 -0.000000 0.000000 
1 1 1   -8    0   20 o   41.360   0.3342   41.360   0.3342   41.360   0.3342 -0.000000 0.000000 
1 1 1   -8    0   21 o   17.500   0.2903   17.500   0.2903   17.500   0.2903 -0.000000 0.000000 
1 1 1   -8    0   22 o   8.7800   0.4468   8.7800   0.4468   8.7800   0.4468 -0.000000 0.000000 
1 1 1   -8    0   23 o   7.0080   0.7769   7.0080   0.7769   7.0080   0.7769 -0.000000 0.000000 
1 1 1   -8    0   24 o   15.570   0.2972   15.570   0.2972   15.570   0.2972 -0.000000 0.000000 
1 1 1   -8    0   25 o   6.8730   0.5419   6.8730   0.5419   6.8730   0.5419 -0.000000 0.000000 
1 1 1   -8    0   26 o   1.5390   0.9970   1.5390   0.9970   1.5390   0.9970 -0.000000 0.000000 
1 1 1   -8    0   27 o   5.8690   0.6656   5.8690   0.6656   5.8690   0.6656 -0.000000 0.000000 
1 1 1   -8    0   28 o   1.9370   1.1320   1.9370   1.1320   1.9370   1.1320 -0.000000 0.000000 
1 1 1   -8    0   29 o   1.4970   0.9996   1.4970   0.9996   1.4970   0.9996 -0.000000 0.000000 
1 1 1   -8    0   30 o   1.2320   0.8688   1.2320   0.8688   1.2320   0.8688 -0.000000 0.000000 
1 1 1   -8    0   31 o   11.460   0.5524   11.460   0.5524   11.460   0.5524 -0.000000 0.000000 
1 1 1   -8    0   32 o   3.1400   1.3880   3.1400   1.3880   3.1400   1.3880 -0.000000 0.000000 
1 1 1   -8    0   33 o   4.2950   1.2430   4.2950   1.2430   4.2950   1.2430 -0.000000 0.000000 
1 1 1   -8    0   34 o   1.7520   1.1810   1.7520   1.1810   1.7520   1.1810 -0.000000 0.000000 
1 1 1   -8    2    1 o   49.730   0.2486   49.630   0.3509   49.830   0.3523 -0.1983000 0.4972000 
1 1 1   -8    2    2 o   31.900   0.1755   31.860   0.2653   31.940   0.2298 -0.8765000E-01 0.3510000 
1 1 1   -8    2    3 o   47.730   0.2765   47.680   0.3907   47.780   0.3913 -0.9473000E-01 0.5530000 
1 1 1   -8    2    4 o   28.440   0.2097   28.360   0.2962   28.530   0.2971 -0.1654000 0.4195000 
1 1 1   -8    2    5 o   37.650   0.3342   37.830   0.5476   37.460   0.3833 0.3697000 0.6684000 
1 1 1   -8    2    6 o   66.300   0.3832   65.570   0.5360   67.040   0.5477 -1.473000 0.7664000 
1 1 1   -8    2    7 o   42.140   0.2495   42.020   0.3519   42.270   0.3537 -0.2543000 0.4989000 
1 1 1   -8    2    8 o   65.140   0.3535   65.200   0.4632   65.090   0.5342 0.1073000 0.7070000 
1 1 1   -8    2    9 o   38.020   0.2155   38.090   0.2826   37.950   0.3255 0.1404000 0.4310000 
1 1 1   -8    2   10 o   37.060   0.3407   37.030   0.3941   37.090   0.5559 -0.6566000E-01 0.6814000 
1 1 1   -8    2   11 o   18.890   0.1733   18.680   0.2195   19.100   0.2682 -0.4250000 0.3466000 
1 1 1   -8    2   12 o   27.600   0.1746   27.830   0.2299   27.380   0.2628 0.4522000 0.3492000 
1 1 1   -8    2   13 f   20.640   0.1572   20.430   0.2053   20.850   0.2381 -0.4141000 0.3144000 
1 1 1   -8    2   14 o   28.940   0.1858   28.910   0.2431   28.980   0.2812 -0.6326000E-01 0.3717000 
1 1 1   -8    2   15 o   25.760   0.1797   25.820   0.2363   25.690   0.2707 0.1249000 0.3594000 
1 1 1   -8    2   16 o   54.340   0.3064   54.310   0.4012   54.370   0.4632 -0.5510000E-01 0.6128000 
1 1 1   -8    2   17 o   84.920   0.4639   85.190   0.6095   84.640   0.6996 0.5495000 0.9279000 
1 1 1   -8    2   18 o   30.610   0.2488   30.760   0.3151   30.460   0.3852 0.3035000 0.4977000 
1 1 1   -8    2   19 o   17.180   0.2380   16.920   0.3308   17.440   0.3422 -0.5236000 0.4759000 
1 1 1   -8    2   20 o   13.530   0.2705   13.720   0.3488   13.330   0.4137 0.3912000 0.5411000 
1 1 1   -8    2   21 o   7.7630   0.3945   8.1850   0.4801   7.3410   0.6261 0.8435000 0.7889000 
1 1 1   -8    2   22 o   10.420   0.2931   10.080   0.4011   10.760   0.4274 -0.6765000 0.5861000 
1 1 1   -8    2   23 o   4.7970   0.8062   6.0040   0.9185   3.5890   1.3250 2.415000 1.612000 
1 1 1   -8    2   24 o   8.0810   0.3588   7.9820   0.4798   8.1800   0.5336 -0.1982000 0.7176000 
1 1 1   -8    2   25 o   21.870   0.2072   22.060   0.2716   21.690   0.3131 0.3731000 0.4144000 
1 1 1   -8    2   26 o   2.7990   0.6977   3.4120   1.0120   2.1850   0.9609 1.227000 1.395000 
1 1 1   -8    2   27 o   13.570   0.2518   13.670   0.3293   13.480   0.3809 0.1855000 0.5035000 
1 1 1   -8    2   28 o   19.720   0.2210   19.480   0.2908   19.950   0.3328 -0.4680000 0.4420000 
1 1 1   -8    2   29 o   2.5860   0.7271   2.5760   1.0060   2.5960   1.0500 -0.2008000E-01 1.454000 
1 1 1   -8    2   30 o   4.1300   0.8173   4.1610   1.0600   4.0990   1.2440 0.6217000E-01 1.635000 
1 1 1   -8    2   31 o   3.4950   0.7923   3.2550   1.1330   3.7350   1.1080 -0.4792000 1.585000 
1 1 1   -8    2   32 o   3.7700   0.7336   3.0390   1.0740   4.5020   0.9993 -1.463000 1.467000 
1 1 1   -8    2   33 o   2.3450   0.7000   1.7570   0.8391   2.9330   1.1210 -1.176000 1.400000 
1 1 1   -8    2   34 o   2.3880   0.7468   2.8650   1.1680   1.9110   0.9303 0.9539000 1.494000 
1 1 1   -8    4    1 o   41.940   0.2474   41.690   0.3479   42.180   0.3518 -0.4934000 0.4948000 
1 1 1   -8    4    2 o   65.250   0.3773   64.840   0.5302   65.660   0.5370 -0.8143000 0.7546000 
1 1 1   -8    4    3 o   33.400   0.2255   33.090   0.3471   33.700   0.2880 -0.6133000 0.4510000 
1 1 1   -8    4    4 o   46.540   0.3056   46.400   0.4724   46.690   0.3878 -0.2905000 0.6112000 
1 1 1   -8    4    5 o   76.320   0.4407   76.400   0.6241   76.230   0.6225 0.1674000 0.8815000 
1 1 1   -8    4    6 o  101.200   0.5822  100.900   0.8214  101.400   0.8253 -0.5001000 1.164000 
1 1 1   -8    4    7 o   72.100   0.4179   71.950   0.5900   72.250   0.5921 -0.3011000 0.8358000 
1 1 1   -8    4    8 o   20.430   0.1725   20.490   0.2686   20.370   0.2165 0.1189000 0.3449000 
1 1 1   -8    4    9 o   22.700   0.2861   22.700   0.2861  ?   ?       ?      ? 
1 1 1   -8    4   10 o   38.250   0.2631   38.310   0.3342   38.200   0.4064 0.1132000 0.5261000 
1 1 1   -8    4   11 o   12.360   0.1716   12.360   0.2460   12.360   0.2395 0.4234000E-02 0.3433000 
1 1 1   -8    4   12 o   17.790   0.1662   17.950   0.2374   17.640   0.2326 0.3058000 0.3323000 
1 1 1   -8    4   13 o   19.560   0.1739   19.930   0.2479   19.200   0.2439 0.7328000 0.3478000 
1 1 1   -8    4   14 o   22.060   0.1697   22.310   0.2235   21.820   0.2554 0.4854000 0.3394000 
1 1 1   -8    4   15 o   23.960   0.1787   23.860   0.2340   24.060   0.2701 -0.2034000 0.3574000 
1 1 1   -8    4   16 o   70.320   0.3883   70.400   0.5087   70.250   0.5868 0.1436000 0.7766000 
1 1 1   -8    4   17 o   48.760   0.2816   48.760   0.3689   48.760   0.4254 -0.3433000E-04 0.5631000 
1 1 1   -8    4   18 o   32.130   0.2805   31.920   0.3912   32.350   0.4022 -0.4294000 0.5610000 
1 1 1   -8    4   19 o   39.250   0.2477   39.180   0.3254   39.320   0.3736 -0.1394000 0.4954000 
1 1 1   -8    4   20 o   3.8430   0.7363   4.5290   0.9259   3.1580   1.1450 1.371000 1.473000 
1 1 1   -8    4   21 o   16.220   0.2213   15.660   0.2891   16.790   0.3353 -1.129000 0.4427000 
1 1 1   -8    4   22 o   8.7460   0.3580   8.7700   0.5108   8.7230   0.5017 0.4716000E-01 0.7160000 
1 1 1   -8    4   23 o   5.6440   0.7566   5.4120   1.0170   5.8760   1.1210 -0.4636000 1.513000 
1 1 1   -8    4   24 o   5.4670   0.5225   5.1900   0.7245   5.7440   0.7532 -0.5538000 1.045000 
1 1 1   -8    4   25 o   13.350   0.2476   13.190   0.3285   13.520   0.3704 -0.3293000 0.4951000 
1 1 1   -8    4   26 f   19.570   0.2122   19.240   0.2798   19.910   0.3191 -0.6706000 0.4243000 
1 1 1   -8    4   27 o   13.120   0.2538   12.950   0.3388   13.290   0.3779 -0.3378000 0.5075000 
1 1 1   -8    4   28 o   4.4230   0.6516   5.5240   0.7162   3.3210   1.0890 2.203000 1.303000 
1 1 1   -8    4   29 o   8.9140   0.3445   8.6280   0.4710   9.2010   0.5029 -0.5731000 0.6890000 
1 1 1   -8    4   30 o   3.1460   0.8622   2.9110   1.1900   3.3810   1.2480 -0.4703000 1.724000 
1 1 1   -8    4   31 o   11.440   0.3038   11.340   0.4139   11.540   0.4447 -0.2049000 0.6075000 
1 1 1   -8    4   32 o   1.9070   0.6315   1.8720   0.8742   1.9420   0.9114 -0.7049000E-01 1.263000 
1 1 1   -8    4   33 o   3.2030   0.7838   3.3060   1.0820   3.1000   1.1340 0.2056000 1.568000 
1 1 1   -8    4   34 o   2.5510   0.8319   2.3940   1.1110   2.7090   1.2380 -0.3156000 1.664000 
1 1 1   -8    6    1 o   38.210   0.2003   37.920   0.2811   38.500   0.2854 -0.5762000 0.4006000 
1 1 1   -8    6    2 o   40.780   0.2122   40.830   0.3004   40.730   0.2998 0.1010000 0.4244000 
1 1 1   -8    6    3 o   16.100   0.1234   16.050   0.1739   16.160   0.1750 -0.1077000 0.2467000 
1 1 1   -8    6    4 o   23.080   0.1731   23.480   0.2853   22.680   0.1963 0.7931000 0.3462000 
1 1 1   -8    6    5 f   43.650   0.2618   43.570   0.3696   43.740   0.3709 -0.1679000 0.5236000 
1 1 1   -8    6    6 o   22.650   0.1848   23.020   0.2871   22.280   0.2326 0.7356000 0.3695000 
1 1 1   -8    6    7 o   29.030   0.2354   28.560   0.3280   29.490   0.3376 -0.9275000 0.4707000 
1 1 1   -8    6    8 o   29.250   0.2154   29.000   0.2717   29.500   0.3343 -0.4970000 0.4308000 
1 1 1   -8    6    9 o   26.370   0.2624   26.370   0.2624  ?   ?       ?      ? 
1 1 1   -8    6   10 o   20.950   0.1695   20.990   0.2415   20.910   0.2380 0.7411000E-01 0.3391000 
1 1 1   -8    6   11 o   3.2790   0.5415   2.6580   0.8425   3.9000   0.6804 -1.242000 1.083000 
1 1 1   -8    6   12 o   24.040   0.1845   24.160   0.2618   23.920   0.2600 0.2438000 0.3690000 
1 1 1   -8    6   13 o   20.860   0.1842   21.010   0.2620   20.710   0.2588 0.2943000 0.3683000 
1 1 1   -8    6   14 o   39.770   0.2534   39.630   0.3584   39.920   0.3582 -0.2821000 0.5067000 
1 1 1   -8    6   15 o   7.4980   0.3754   7.4920   0.5398   7.5030   0.5217 -0.1091000E-01 0.7507000 
1 1 1   -8    6   16 o   32.690   0.2284   32.670   0.3251   32.710   0.3209 -0.3531000E-01 0.4568000 
1 1 1   -8    6   17 o   58.950   0.4378   59.240   0.6230   58.660   0.6153 0.5711000 0.8756000 
1 1 1   -8    6   18 o   8.3620   0.4582   8.8230   0.6970   7.9020   0.5950 0.9212000 0.9164000 
1 1 1   -8    6   19 o   28.090   0.2156   28.390   0.2839   27.800   0.3246 0.5869000 0.4312000 
1 1 1   -8    6   20 o   11.490   0.2840   11.470   0.3608   11.510   0.4388 -0.3618000E-01 0.5681000 
1 1 1   -8    6   21 o   14.020   0.2415   13.720   0.3152   14.320   0.3661 -0.6081000 0.4831000 
1 1 1   -8    6   22 o   2.7100   0.7698   2.3780   1.0180   3.0420   1.1550 -0.6642000 1.540000 
1 1 1   -8    6   23 o   17.630   0.2539   17.430   0.3308   17.840   0.3854 -0.4129000 0.5079000 
1 1 1   -8    6   24 o   12.600   0.2571   12.910   0.3316   12.290   0.3929 0.6149000 0.5141000 
1 1 1   -8    6   25 o   11.700   0.2690   11.760   0.3505   11.640   0.4081 0.1112000 0.5380000 
1 1 1   -8    6   26 o   6.7350   0.4288   6.3600   0.6076   7.1100   0.6053 -0.7495000 0.8576000 
1 1 1   -8    6   27 o   3.3550   0.7209   2.6160   1.0080   4.0940   1.0310 -1.478000 1.442000 
1 1 1   -8    6   28 o   5.7950   0.5353   6.4700   0.5993   5.1200   0.8872 1.351000 1.071000 
1 1 1   -8    6   29 o   7.0890   0.4307   6.6080   0.6112   7.5700   0.6070 -0.9613000 0.8614000 
1 1 1   -8    6   30 o   2.5840   0.7971   2.7090   1.1440   2.4590   1.1100 0.2498000 1.594000 
1 1 1   -8    6   31 o   6.3380   0.5144   6.6500   0.6409   6.0260   0.8048 0.6234000 1.029000 
1 1 1   -8    6   32 o   6.0770   0.5509   6.6310   0.6465   5.5230   0.8922 1.109000 1.102000 
1 1 1   -8    6   33 o   3.9070   0.7239   4.8990   0.9085   2.9140   1.1270 1.986000 1.448000 
1 1 1   -8    8    1 o   8.8920   0.2002   8.8970   0.2857   8.8870   0.2806 0.9563000E-02 0.4004000 
1 1 1   -8    8    2 o   36.560   0.2276   36.840   0.3238   36.270   0.3199 0.5669000 0.4552000 
1 1 1   -8    8    3 o   29.830   0.1964   30.110   0.2801   29.540   0.2753 0.5715000 0.3928000 
1 1 1   -8    8    4 o   59.830   0.3940   59.770   0.6102   59.890   0.4987 -0.1175000 0.7881000 
1 1 1   -8    8    5 o   50.730   0.3031   50.640   0.4280   50.810   0.4294 -0.1714000 0.6063000 
1 1 1   -8    8    6 o   10.930   0.2064   10.900   0.2670   10.960   0.3148 -0.6509000E-01 0.4128000 
1 1 1   -8    8    7 o   24.910   0.2558   24.910   0.2558  ?   ?       ?      ? 
1 1 1   -8    8    8 o   17.880   0.1715   17.850   0.2404   17.910   0.2448 -0.6362000E-01 0.3431000 
1 1 1   -8    8    9 o   12.070   0.2350   12.390   0.2741   11.740   0.3818 0.6485000 0.4700000 
1 1 1   -8    8   10 o   23.620   0.1851   23.620   0.2615   23.610   0.2621 0.1053000E-01 0.3702000 
1 1 1   -8    8   11 o   17.440   0.1832   17.560   0.2589   17.330   0.2592 0.2278000 0.3663000 
1 1 1   -8    8   12 f   26.820   0.2021   26.620   0.2880   27.020   0.2836 -0.4006000 0.4042000 
1 1 1   -8    8   13 o   31.080   0.2193   30.890   0.3118   31.270   0.3085 -0.3748000 0.4386000 
1 1 1   -8    8   14 o   19.440   0.2080   19.830   0.3001   19.040   0.2882 0.7861000 0.4160000 
1 1 1   -8    8   15 o   18.310   0.2113   18.480   0.3021   18.130   0.2956 0.3510000 0.4226000 
1 1 1   -8    8   16 o   14.980   0.3024   14.940   0.4275   15.020   0.4277 -0.7842000E-01 0.6047000 
1 1 1   -8    8   17 o   12.560   0.3224   12.520   0.4949   12.590   0.4132 -0.7490000E-01 0.6447000 
1 1 1   -8    8   18 f   13.240   0.3246   12.580   0.4314   13.910   0.4853 -1.329000 0.6493000 
1 1 1   -8    8   19 o   31.540   0.2371   31.250   0.3347   31.820   0.3361 -0.5720000 0.4743000 
1 1 1   -8    8   20 o   21.850   0.2230   21.860   0.3118   21.850   0.3190 0.9821000E-02 0.4461000 
1 1 1   -8    8   21 o   23.300   0.2706   24.130   0.3902   22.460   0.3749 1.670000 0.5411000 
1 1 1   -8    8   22 o   3.2000   0.7793   3.7110   1.1040   2.6890   1.1000 1.021000 1.559000 
1 1 1   -8    8   23 o   9.0520   0.3355   8.9950   0.4457   9.1090   0.5015 -0.1149000 0.6709000 
1 1 1   -8    8   24 f   17.600   0.2239   17.440   0.2965   17.760   0.3357 -0.3223000 0.4479000 
1 1 1   -8    8   25 o   2.3850   0.7011   2.3710   0.9737   2.3990   1.0090 -0.2747000E-01 1.402000 
1 1 1   -8    8   26 o   9.1010   0.3287   8.5750   0.4661   9.6270   0.4636 -1.053000 0.6574000 
1 1 1   -8    8   27 o   5.4620   0.5369   5.3090   0.7330   5.6160   0.7845 -0.3068000 1.074000 
1 1 1   -8    8   28 o   3.5090   0.6826   4.4490   0.8997   2.5680   1.0270 1.882000 1.365000 
1 1 1   -8    8   29 o   3.2860   0.8524   2.9340   1.1260   3.6380   1.2800 -0.7045000 1.705000 
1 1 1   -8    8   30 o   6.0480   0.5752   6.8400   0.7158   5.2560   0.9007 1.585000 1.150000 
1 1 1   -8    8   31 o   2.4600   0.7160   2.8240   1.0650   2.0960   0.9578 0.7271000 1.432000 
1 1 1   -8    8   32 o   4.1540   0.7426   3.8220   1.0660   4.4850   1.0340 -0.6631000 1.485000 
1 1 1   -8    8   33 o   3.4730   0.8597   3.4730   1.1890   3.4740   1.2420 -0.8583000E-03 1.719000 
1 1 1   -8   10    1 o   36.690   0.2026   36.620   0.2858   36.750   0.2871 -0.1318000 0.4051000 
1 1 1   -8   10    2 o   36.510   0.2019   36.520   0.2854   36.500   0.2857 0.1552000E-01 0.4038000 
1 1 1   -8   10    3 o   35.230   0.1969   35.310   0.2785   35.160   0.2784 0.1472000 0.3938000 
1 1 1   -8   10    4 o   15.370   0.1559   15.580   0.2200   15.160   0.2209 0.4156000 0.3118000 
1 1 1   -8   10    5 o   10.620   0.2004   10.460   0.3023   10.780   0.2631 -0.3167000 0.4008000 
1 1 1   -8   10    6 o   10.970   0.2054   10.650   0.3173   11.290   0.2609 -0.6443000 0.4108000 
1 1 1   -8   10    7 o   22.130   0.1849   22.020   0.2608   22.240   0.2623 -0.2223000 0.3699000 
1 1 1   -8   10    8 o   20.870   0.1850   20.870   0.2599   20.870   0.2634 -0.3658000E-02 0.3701000 
1 1 1   -8   10    9 o   9.5950   0.2588   9.7000   0.3538   9.4900   0.3777 0.2095000 0.5175000 
1 1 1   -8   10   10 o   29.300   0.2111   29.510   0.2993   29.100   0.2980 0.4086000 0.4223000 
1 1 1   -8   10   11 o   19.030   0.1994   18.650   0.2826   19.400   0.2815 -0.7503000 0.3989000 
1 1 1   -8   10   12 f   39.740   0.2586   39.940   0.3678   39.530   0.3635 0.4091000 0.5171000 
1 1 1   -8   10   13 o   29.890   0.2215   29.790   0.3135   29.990   0.3131 -0.2006000 0.4431000 
1 1 1   -8   10   14 o   51.930   0.3942   52.060   0.5588   51.800   0.5560 0.2663000 0.7883000 
1 1 1   -8   10   15 o   38.450   0.2880   38.660   0.4464   38.250   0.3640 0.4102000 0.5760000 
1 1 1   -8   10   16 o   38.440   0.2912   38.430   0.4506   38.450   0.3691 -0.2441000E-01 0.5824000 
1 1 1   -8   10   17 o   9.2440   0.3887   8.9050   0.5830   9.5820   0.5142 -0.6770000 0.7773000 
1 1 1   -8   10   18 o   21.450   0.2537   20.940   0.3305   21.950   0.3851 -1.014000 0.5075000 
1 1 1   -8   10   19 o   16.060   0.2486   15.830   0.3587   16.280   0.3442 -0.4527000 0.4972000 
1 1 1   -8   10   20 o   24.670   0.2754   24.910   0.3984   24.440   0.3804 0.4654000 0.5508000 
1 1 1   -8   10   21 o   2.4550   0.7017   3.1050   1.0980   1.8060   0.8738 1.299000 1.403000 
1 1 1   -8   10   22 o   25.990   0.2289   26.060   0.3243   25.910   0.3232 0.1584000 0.4578000 
1 1 1   -8   10   23 o   7.8660   0.3987   8.1070   0.5484   7.6260   0.5788 0.4814000 0.7973000 
1 1 1   -8   10   24 o   8.5020   0.3763   8.8450   0.5164   8.1580   0.5474 0.6872000 0.7526000 
1 1 1   -8   10   25 o   4.2670   0.7260   3.8590   1.0930   4.6760   0.9558 -0.8171000 1.452000 
1 1 1   -8   10   26 o   8.4650   0.3821   8.7200   0.5399   8.2100   0.5407 0.5096000 0.7641000 
1 1 1   -8   10   27 o   18.780   0.2239   18.810   0.2970   18.760   0.3352 0.5390000E-01 0.4479000 
1 1 1   -8   10   28 o   5.2720   0.7330   5.5890   0.8601   4.9550   1.1870 0.6341000 1.466000 
1 1 1   -8   10   29 o   6.3110   0.5450   7.0790   0.6927   5.5430   0.8415 1.536000 1.090000 
1 1 1   -8   10   30 o   5.0930   0.6308   4.8220   0.9126   5.3640   0.8710 -0.5417000 1.262000 
1 1 1   -8   10   31 o   2.6290   0.7609   2.6130   1.0490   2.6460   1.1030 -0.3391000E-01 1.522000 
1 1 1   -8   10   32 o   5.3180   0.7537   5.1860   1.0310   5.4490   1.0990 -0.2628000 1.507000 
1 1 1   -8   12    1 o   18.690   0.1631   18.570   0.2297   18.800   0.2316 -0.2241000 0.3262000 
1 1 1   -8   12    2 o   32.390   0.1914   32.310   0.2701   32.460   0.2712 -0.1446000 0.3828000 
1 1 1   -8   12    3 o   54.130   0.2832   54.090   0.4002   54.180   0.4009 -0.8971000E-01 0.5665000 
1 1 1   -8   12    4 o   44.070   0.2385   44.210   0.3382   43.930   0.3365 0.2824000 0.4770000 
1 1 1   -8   12    5 o   34.740   0.2180   35.210   0.3329   34.270   0.2816 0.9471000 0.4360000 
1 1 1   -8   12    6 o   29.200   0.1992   29.510   0.3043   28.890   0.2572 0.6258000 0.3984000 
1 1 1   -8   12    7 o   69.540   0.3855   69.570   0.5833   69.510   0.5042 0.5886000E-01 0.7710000 
1 1 1   -8   12    8 o   9.9870   0.2726   9.9070   0.3876   10.070   0.3835 -0.1588000 0.5452000 
1 1 1   -8   12    9 f   18.150   0.2325   18.250   0.3660   18.050   0.2868 0.1990000 0.4650000 
1 1 1   -8   12   10 o   8.8220   0.3307   9.1470   0.4509   8.4960   0.4838 0.6513000 0.6614000 
1 1 1   -8   12   11 o   24.150   0.2673   24.200   0.3684   24.100   0.3873 0.9660000E-01 0.5345000 
1 1 1   -8   12   12 o   45.840   0.5093  ?   ?    45.840   0.5093      ?      ? 
1 1 1   -8   12   13 o   33.660   0.2407   33.680   0.3412   33.630   0.3397 0.4216000E-01 0.4815000 
1 1 1   -8   12   14 o   42.180   0.3090   41.760   0.4748   42.600   0.3955 -0.8325000 0.6179000 
1 1 1   -8   12   15 o   33.720   0.2462   33.290   0.3471   34.160   0.3493 -0.8689000 0.4924000 
1 1 1   -8   12   16 o   31.360   0.2664   30.760   0.3356   31.960   0.4137 -1.203000 0.5327000 
1 1 1   -8   12   17 o   6.7170   0.5009   6.2060   0.7570   7.2270   0.6561 -1.020000 1.002000 
1 1 1   -8   12   18 o   5.3570   0.7713   4.6040   1.2170   6.1100   0.9475 -1.507000 1.543000 
1 1 1   -8   12   19 o   11.310   0.3137   12.010   0.4264   10.610   0.4602 1.398000 0.6274000 
1 1 1   -8   12   20 o   9.0480   0.4009   8.9440   0.5473   9.1510   0.5859 -0.2067000 0.8018000 
1 1 1   -8   12   21 o   8.8800   0.3731   8.6470   0.5497   9.1130   0.5045 -0.4661000 0.7461000 
1 1 1   -8   12   22 o   17.650   0.2435   17.650   0.3506   17.650   0.3381 -0.3998000E-02 0.4871000 
1 1 1   -8   12   23 o   15.200   0.2583   15.420   0.3721   14.980   0.3585 0.4319000 0.5166000 
1 1 1   -8   12   24 f   8.2520   0.3981   8.4700   0.5622   8.0340   0.5637 0.4359000 0.7961000 
1 1 1   -8   12   25 o   6.3680   0.5012   6.4130   0.7124   6.3230   0.7051 0.8954000E-01 1.002000 
1 1 1   -8   12   26 o   9.9900   0.3412   10.050   0.4845   9.9270   0.4806 0.1270000 0.6825000 
1 1 1   -8   12   27 o   3.8680   0.8804   4.4160   1.2130   3.3190   1.2760 1.097000 1.761000 
1 1 1   -8   12   28 o   7.0420   0.5440   6.8440   0.8376   7.2400   0.6943 -0.3959000 1.088000 
1 1 1   -8   12   29 o   4.4880   0.7394   3.7180   1.1370   5.2570   0.9453 -1.538000 1.479000 
1 1 1   -8   12   30 o   4.8260   0.6844   4.7730   0.9113   4.8790   1.0210 -0.1062000 1.369000 
1 1 1   -8   12   31 o   2.5530   0.8104   2.2230   1.0920   2.8830   1.1980 -0.6605000 1.621000 
1 1 1   -8   14    1 o   15.040   0.2045   15.230   0.2642   14.850   0.3121 0.3893000 0.4089000 
1 1 1   -8   14    2 o   25.160   0.1935   25.290   0.2935   25.020   0.2524 0.2704000 0.3871000 
1 1 1   -8   14    3 o   19.500   0.1895   19.360   0.2501   19.640   0.2847 -0.2729000 0.3790000 
1 1 1   -8   14    4 o   20.350   0.1762   20.380   0.2483   20.320   0.2499 0.6058000E-01 0.3523000 
1 1 1   -8   14    5 o   32.660   0.2163   32.670   0.3272   32.650   0.2830 0.2177000E-01 0.4326000 
1 1 1   -8   14    6 o   37.900   0.2369   37.830   0.3579   37.960   0.3105 -0.1237000 0.4738000 
1 1 1   -8   14    7 o   31.460   0.2580   31.200   0.3986   31.720   0.3276 -0.5170000 0.5160000 
1 1 1   -8   14    8 f   26.320   0.2457   26.690   0.3816   25.950   0.3095 0.7323000 0.4913000 
1 1 1   -8   14    9 o   12.900   0.3005   12.430   0.4679   13.370   0.3773 -0.9366000 0.6011000 
1 1 1   -8   14   10 o   11.520   0.2921   11.010   0.4262   12.030   0.3996 -1.027000 0.5842000 
1 1 1   -8   14   11 o   36.060   0.2828   36.000   0.4364   36.110   0.3598 -0.1052000 0.5656000 
1 1 1   -8   14   12 o   55.980   0.3874   56.200   0.6011   55.750   0.4890 0.4554000 0.7748000 
1 1 1   -8   14   13 o   47.450   0.3060   47.700   0.4337   47.200   0.4318 0.5083000 0.6120000 
1 1 1   -8   14   14 o   12.460   0.2991   12.030   0.4227   12.880   0.4234 -0.8498000 0.5982000 
1 1 1   -8   14   15 o   45.920   0.2992   46.150   0.4251   45.690   0.4210 0.4530000 0.5983000 
1 1 1   -8   14   16 o   22.530   0.2864   22.640   0.4133   22.410   0.3965 0.2295000 0.5728000 
1 1 1   -8   14   17 o   6.8830   0.4721   6.9140   0.6568   6.8520   0.6784 0.6183000E-01 0.9443000 
1 1 1   -8   14   18 f   22.390   0.2527   22.460   0.3249   22.320   0.3870 0.1388000 0.5053000 
1 1 1   -8   14   19 o   2.4980   0.6745   3.3990   1.0970   1.5970   0.7851 1.802000 1.349000 
1 1 1   -8   14   20 o   6.3090   0.5336   5.3920   0.8590   7.2250   0.6332 -1.834000 1.067000 
1 1 1   -8   14   21 o   14.820   0.2632   14.930   0.3749   14.700   0.3694 0.2290000 0.5263000 
1 1 1   -8   14   22 o   7.8600   0.4199   8.0740   0.5731   7.6460   0.6138 0.4276000 0.8398000 
1 1 1   -8   14   23 o   5.0870   0.6385   4.7120   0.9600   5.4620   0.8422 -0.7502000 1.277000 
1 1 1   -8   14   24 o   10.640   0.3297   10.320   0.4823   10.960   0.4496 -0.6305000 0.6593000 
1 1 1   -8   14   25 f   2.8330   0.7806   2.6740   1.0960   2.9920   1.1120 -0.3176000 1.561000 
1 1 1   -8   14   26 o   3.2200   0.8944   3.3730   1.2900   3.0670   1.2390 0.3051000 1.789000 
1 1 1   -8   14   27 o   2.7400   0.7914   3.2040   1.2200   2.2760   1.0080 0.9280000 1.583000 
1 1 1   -8   14   28 o   2.2900   0.7223   2.2070   1.0040   2.3730   1.0390 -0.1652000 1.445000 
1 1 1   -8   14   29 o   2.6390   0.7833   3.1350   1.2240   2.1420   0.9783 0.9926000 1.567000 
1 1 1   -8   14   30 o   2.7780   0.8770   2.8920   1.3180   2.6640   1.1570 0.2286000 1.754000 
1 1 1   -8   16    1 o   7.3560   0.4068   6.8750   0.6054   7.8380   0.5434 -0.9629000 0.8135000 
1 1 1   -8   16    2 o   22.200   0.1905   22.380   0.2697   22.010   0.2690 0.3678000 0.3810000 
1 1 1   -8   16    3 o   31.230   0.2185   30.880   0.3293   31.570   0.2874 -0.6866000 0.4371000 
1 1 1   -8   16    4 o   33.780   0.2271   33.410   0.2943   34.150   0.3459 -0.7431000 0.4542000 
1 1 1   -8   16    5 f   18.530   0.2251   18.620   0.3156   18.430   0.3211 0.1947000 0.4502000 
1 1 1   -8   16    6 o   14.600   0.2830   14.410   0.4387   14.790   0.3577 -0.3769000 0.5661000 
1 1 1   -8   16    7 o   40.930   0.3067   41.100   0.4769   40.760   0.3859 0.3358000 0.6135000 
1 1 1   -8   16    8 f   20.230   0.2576   20.450   0.4011   20.010   0.3234 0.4424000 0.5152000 
1 1 1   -8   16    9 o   21.650   0.2163   21.540   0.3283   21.760   0.2817 -0.2152000 0.4326000 
1 1 1   -8   16   10 o   24.610   0.2172   24.480   0.3295   24.730   0.2831 -0.2506000 0.4344000 
1 1 1   -8   16   11 o   44.520   0.2931   44.450   0.4141   44.590   0.4149 -0.1438000 0.5862000 
1 1 1   -8   16   12 o   11.820   0.3085   11.960   0.4349   11.670   0.4377 0.2869000 0.6170000 
1 1 1   -8   16   13 o   24.450   0.2876   24.730   0.4113   24.170   0.4021 0.5522000 0.5751000 
1 1 1   -8   16   14 f   15.940   0.3283   16.140   0.4602   15.740   0.4683 0.4014000 0.6566000 
1 1 1   -8   16   15 o   11.420   0.3260   11.390   0.4388   11.450   0.4823 -0.5577000E-01 0.6521000 
1 1 1   -8   16   16 o   5.6420   0.6544   5.6480   0.8091   5.6350   1.0290 0.1235000E-01 1.309000 
1 1 1   -8   16   17 o   20.480   0.2361   20.180   0.3320   20.790   0.3358 -0.6137000 0.4723000 
1 1 1   -8   16   18 o   16.180   0.2522   16.180   0.3560   16.190   0.3574 -0.4108000E-02 0.5045000 
1 1 1   -8   16   19 o   7.0080   0.4699   7.3780   0.6204   6.6370   0.7060 0.7407000 0.9399000 
1 1 1   -8   16   20 o   3.1900   0.7895   2.9650   1.1060   3.4160   1.1270 -0.4506000 1.579000 
1 1 1   -8   16   21 o   1.9550   0.6409   1.6640   0.8077   2.2450   0.9954 -0.5810000 1.282000 
1 1 1   -8   16   22 o   7.8970   0.4167   8.0590   0.5837   7.7350   0.5950 0.3240000 0.8335000 
1 1 1   -8   16   23 o   12.790   0.2899   12.880   0.4129   12.700   0.4071 0.1793000 0.5798000 
1 1 1   -8   16   24 o   6.9900   0.6356   7.7650   0.7816   6.2140   1.0030 1.551000 1.271000 
1 1 1   -8   16   25 o   9.6290   0.3768   9.6440   0.5411   9.6150   0.5247 0.2913000E-01 0.7537000 
1 1 1   -8   16   26 o   11.470   0.3697   11.020   0.5865   11.920   0.4504 -0.9020000 0.7395000 
1 1 1   -8   16   27 o   3.8740   0.7729   5.3220   1.1330   2.4250   1.0510 2.897000 1.546000 
1 1 1   -8   16   28 o   4.6650   0.8069   5.0450   1.1400   4.2840   1.1420 0.7609000 1.614000 
1 1 1   -8   16   29 o   5.3680   0.8430   5.2890   1.2560   5.4480   1.1240 -0.1581000 1.686000 
1 1 1   -8   18    1 o   15.950   0.2431   15.720   0.3672   16.180   0.3187 -0.4545000 0.4862000 
1 1 1   -8   18    2 o   27.830   0.2040   27.920   0.2870   27.740   0.2899 0.1804000 0.4080000 
1 1 1   -8   18    3 o   15.720   0.2429   15.820   0.3621   15.610   0.3240 0.2028000 0.4859000 
1 1 1   -8   18    4 o   8.3930   0.3602   8.6850   0.4875   8.1020   0.5304 0.5828000 0.7204000 
1 1 1   -8   18    5 o   28.350   0.2052   28.050   0.2878   28.660   0.2927 -0.6037000 0.4105000 
1 1 1   -8   18    6 o   27.380   0.2504   27.110   0.4080   27.660   0.2905 -0.5496000 0.5008000 
1 1 1   -8   18    7 o   29.780   0.2256   29.520   0.3409   30.040   0.2954 -0.5149000 0.4511000 
1 1 1   -8   18    8 o   11.180   0.3119   11.130   0.4787   11.230   0.4000 -0.9921000E-01 0.6239000 
1 1 1   -8   18    9 o   3.2280   0.7454   4.6070   1.2010   1.8500   0.8833 2.757000 1.491000 
1 1 1   -8   18   10 o   24.520   0.2635   24.390   0.4083   24.650   0.3331 -0.2640000 0.5269000 
1 1 1   -8   18   11 o   7.2440   0.4356   7.5190   0.6373   6.9700   0.5939 0.5494000 0.8712000 
1 1 1   -8   18   12 o   9.6490   0.3311   10.040   0.4863   9.2590   0.4495 0.7817000 0.6622000 
1 1 1   -8   18   13 o   13.830   0.3128   13.960   0.3967   13.690   0.4836 0.2747000 0.6255000 
1 1 1   -8   18   14 o   12.380   0.3301   12.260   0.4261   12.500   0.5043 -0.2360000 0.6602000 
1 1 1   -8   18   15 o   5.3520   0.6616   4.2380   1.0510   6.4670   0.8035 -2.228000 1.323000 
1 1 1   -8   18   16 o   12.360   0.3098   12.480   0.4186   12.250   0.4569 0.2226000 0.6197000 
1 1 1   -8   18   17 o   2.7290   0.7614   2.2490   0.9943   3.2090   1.1530 -0.9602000 1.523000 
1 1 1   -8   18   18 o   5.6880   0.6017   4.9600   0.9472   6.4170   0.7422 -1.457000 1.203000 
1 1 1   -8   18   19 o   10.780   0.3273   10.980   0.4564   10.580   0.4694 0.3935000 0.6547000 
1 1 1   -8   18   20 f   5.8720   0.5501   5.7630   0.7772   5.9800   0.7787 -0.2169000 1.100000 
1 1 1   -8   18   21 o   6.0800   0.5555   6.7880   0.6741   5.3730   0.8831 1.415000 1.111000 
1 1 1   -8   18   22 o   4.2040   0.8275   2.8870   1.1730   5.5210   1.1670 -2.634000 1.655000 
1 1 1   -8   18   23 o   2.8180   0.7880   2.7660   1.1060   2.8700   1.1230 -0.1037000 1.576000 
1 1 1   -8   18   24 o   4.7190   0.7836   4.1640   1.2660   5.2750   0.9235 -1.111000 1.567000 
1 1 1   -8   18   25 o   4.0460   0.8376   3.6590   1.2820   4.4320   1.0790 -0.7728000 1.675000 
1 1 1   -8   18   26 o   3.5300   0.8490   3.3780   1.2410   3.6810   1.1590 -0.3034000 1.698000 
1 1 1   -8   18   27 o   2.4350   0.7793   2.1160   1.0240   2.7540   1.1750 -0.6387000 1.559000 
1 1 1   -8   18   28 o   8.6520   0.4435   8.4810   0.6517   8.8230   0.6018 -0.3410000 0.8871000 
1 1 1   -8   20    1 o   4.4660   0.7386   3.7250   1.1560   5.2080   0.9200 -1.483000 1.477000 
1 1 1   -8   20    2 o   24.160   0.2354   24.310   0.3347   24.010   0.3311 0.3053000 0.4708000 
1 1 1   -8   20    3 o   21.900   0.2351   22.050   0.3335   21.750   0.3315 0.2937000 0.4702000 
1 1 1   -8   20    4 o   10.430   0.3478   10.090   0.5049   10.760   0.4787 -0.6737000 0.6957000 
1 1 1   -8   20    5 o   8.3930   0.3588   8.0520   0.5193   8.7330   0.4953 -0.6811000 0.7176000 
1 1 1   -8   20    6 o   22.030   0.2226   22.140   0.3345   21.930   0.2937 0.2055000 0.4451000 
1 1 1   -8   20    7 o   2.9750   0.7961   2.8140   1.1050   3.1370   1.1460 -0.3230000 1.592000 
1 1 1   -8   20    8 o   20.520   0.2436   20.600   0.3489   20.450   0.3399 0.1508000 0.4871000 
1 1 1   -8   20    9 o   4.0740   0.7636   3.4440   1.1440   4.7030   1.0120 -1.259000 1.527000 
1 1 1   -8   20   10 o   6.0110   0.5222   5.7140   0.8048   6.3070   0.6656 -0.5926000 1.044000 
1 1 1   -8   20   11 o   2.6890   0.7473   2.5570   1.0610   2.8200   1.0520 -0.2623000 1.495000 
1 1 1   -8   20   12 o   11.560   0.2886   11.970   0.4232   11.140   0.3925 0.8311000 0.5772000 
1 1 1   -8   20   13 o   5.9490   0.5605   5.0900   0.9456   6.8080   0.6020 -1.718000 1.121000 
1 1 1   -8   20   14 o   9.4220   0.3492   9.5120   0.5152   9.3310   0.4714 0.1814000 0.6983000 
1 1 1   -8   20   15 o   16.990   0.2555   16.740   0.3605   17.240   0.3621 -0.5015000 0.5109000 
1 1 1   -8   20   16 o   8.4180   0.4156   8.0860   0.5959   8.7510   0.5796 -0.6651000 0.8313000 
1 1 1   -8   20   17 o   12.330   0.3153   12.660   0.4283   12.000   0.4628 0.6638000 0.6306000 
1 1 1   -8   20   18 o   15.730   0.2723   16.110   0.3741   15.360   0.3958 0.7504000 0.5447000 
1 1 1   -8   20   19 o   16.410   0.2675   17.010   0.3685   15.810   0.3878 1.203000 0.5349000 
1 1 1   -8   20   20 o   3.7880   1.2660   3.7880   1.2660  ?   ?       ?      ? 
1 1 1   -8   20   21 o   6.4550   0.5619   7.2180   0.6813   5.6910   0.8938 1.526000 1.124000 
1 1 1   -8   20   22 o   2.7470   0.8034   2.7910   1.1590   2.7040   1.1120 0.8695000E-01 1.607000 
1 1 1   -8   20   23 o   2.3020   0.7210   1.8670   0.9069   2.7360   1.1210 -0.8688000 1.442000 
1 1 1   -8   20   24 o   6.2330   0.6529   6.0110   1.0290   6.4560   0.8042 -0.4446000 1.306000 
1 1 1   -8   20   25 o   4.8250   0.9113   4.7360   1.3820   4.9140   1.1880 -0.1783000 1.823000 
1 1 1   -8   20   26 o   3.8220   0.8644   4.1080   1.1500   3.5360   1.2910 0.5721000 1.729000 
1 1 1   -8   22    1 o   12.710   0.2596   12.570   0.3710   12.860   0.3631 -0.2870000 0.5191000 
1 1 1   -8   22    2 o   7.3020   0.4097   7.5450   0.5540   7.0580   0.6038 0.4874000 0.8194000 
1 1 1   -8   22    3 o   4.8260   0.6136   4.5390   0.9051   5.1130   0.8288 -0.5747000 1.227000 
1 1 1   -8   22    4 o   12.100   0.2700   11.580   0.3871   12.610   0.3766 -1.025000 0.5401000 
1 1 1   -8   22    5 o   10.670   0.2938   10.560   0.4093   10.790   0.4217 -0.2281000 0.5876000 
1 1 1   -8   22    6 o   6.7020   0.4946   6.2410   0.7918   7.1630   0.5929 -0.9225000 0.9892000 
1 1 1   -8   22    7 o   4.8150   0.6675   5.0290   0.9632   4.6000   0.9244 0.4286000 1.335000 
1 1 1   -8   22    8 o   4.7370   0.6757   5.2260   0.9455   4.2480   0.9656 0.9780000 1.351000 
1 1 1   -8   22    9 o   8.8530   0.3730   9.4130   0.5376   8.2930   0.5173 1.120000 0.7460000 
1 1 1   -8   22   10 o   12.260   0.3018   12.040   0.4285   12.480   0.4252 -0.4353000 0.6037000 
1 1 1   -8   22   11 o   7.9870   0.3901   8.3630   0.5635   7.6120   0.5396 0.7505000 0.7802000 
1 1 1   -8   22   12 o  10.0000   0.3244   9.8940   0.4886   10.110   0.4270 -0.2208000 0.6489000 
1 1 1   -8   22   13 o   6.4690   0.4824   6.8760   0.6755   6.0620   0.6890 0.8140000 0.9649000 
1 1 1   -8   22   14 o   8.6550   0.3731   8.9400   0.5449   8.3690   0.5098 0.5709000 0.7462000 
1 1 1   -8   22   15 o   8.6190   0.3793   8.5960   0.5675   8.6430   0.5034 -0.4721000E-01 0.7586000 
1 1 1   -8   22   16 o   3.6260   0.7719   3.2880   1.1410   3.9640   1.0400 -0.6755000 1.544000 
1 1 1   -8   22   17 o   7.6580   0.6315   8.5180   0.7131   6.7970   1.0420 1.721000 1.263000 
1 1 1   -8   22   18 o   1.9290   0.6434   1.7760   0.8531   2.0830   0.9633 -0.3069000 1.287000 
1 1 1   -8   22   19 o   6.9900   0.5019   6.6530   0.7322   7.3280   0.6866 -0.6750000 1.004000 
1 1 1   -8   22   20 o   2.6050   0.7845   2.5600   1.1190   2.6500   1.0990 -0.9044000E-01 1.569000 
1 1 1   -8   22   21 o   2.0560   0.6880   2.3100   1.0630   1.8010   0.8732 0.5086000 1.376000 
1 1 1   -8   22   22 o   3.3450   0.8453   4.0290   1.2720   2.6600   1.1130 1.369000 1.691000 
1 1 1   -8   22   23 o   3.4380   0.9259   3.7660   1.3570   3.1100   1.2600 0.6561000 1.852000 
1 1 1   -8   22   24 o   2.2900   0.7278   2.1370   0.9840   2.4430   1.0730 -0.3063000 1.456000 
1 1 1   -8   24    1 o   3.9670   0.7071   3.5680   1.0480   4.3660   0.9494 -0.7979000 1.414000 
1 1 1   -8   24    2 o   3.5850   0.7242   3.1330   1.0600   4.0360   0.9866 -0.9026000 1.448000 
1 1 1   -8   24    3 o   8.7670   0.3434   8.5970   0.4937   8.9370   0.4775 -0.3406000 0.6868000 
1 1 1   -8   24    4 f   14.210   0.2398   14.460   0.3355   13.960   0.3428 0.4985000 0.4797000 
1 1 1   -8   24    5 o   7.8870   0.3756   7.7360   0.5360   8.0390   0.5265 -0.3035000 0.7513000 
1 1 1   -8   24    6 o   8.6010   0.3766   8.4770   0.5709   8.7250   0.4912 -0.2475000 0.7531000 
1 1 1   -8   24    7 o   5.0250   0.6192   5.1140   0.9001   4.9360   0.8506 0.1775000 1.238000 
1 1 1   -8   24    8 o   2.6240   0.7383   2.4280   1.0490   2.8200   1.0390 -0.3922000 1.477000 
1 1 1   -8   24    9 o   2.9750   0.7720   3.1370   1.1410   2.8130   1.0400 0.3238000 1.544000 
1 1 1   -8   24   10 o   4.2840   0.7174   4.9730   0.9809   3.5960   1.0470 1.378000 1.435000 
1 1 1   -8   24   11 o   12.420   0.2899   12.280   0.4447   12.570   0.3721 -0.2928000 0.5798000 
1 1 1   -8   24   12 o   7.6180   0.5042   7.2510   0.7858   7.9860   0.6318 -0.7349000 1.008000 
1 1 1   -8   24   13 f   12.440   0.3474   12.920   0.5058   11.960   0.4763 0.9602000 0.6948000 
1 1 1   -8   24   14 o   5.7330   0.6630   6.3200   0.8897   5.1460   0.9833 1.174000 1.326000 
1 1 1   -8   24   15 o   4.7760   0.6479   5.3260   0.8747   4.2260   0.9560 1.100000 1.296000 
1 1 1   -8   24   16 o   5.6670   0.8940  ?   ?    5.6670   0.8940      ?      ? 
1 1 1   -8   24   17 o   3.4790   0.8353   3.2860   1.2170   3.6730   1.1440 -0.3878000 1.671000 
1 1 1   -8   24   18 o   2.4430   0.7365   2.4570   1.0550   2.4280   1.0280 0.2902000E-01 1.473000 
1 1 1   -8   24   19 o   4.7910   0.8050   4.2990   1.2550   5.2830   1.0080 -0.9845000 1.610000 
1 1 1   -8   24   20 o   2.8030   0.8594   2.3380   1.1420   3.2680   1.2840 -0.9295000 1.719000 
1 1 1   -8   24   21 o   2.4910   0.7999   2.5860   1.1670   2.3960   1.0940 0.1899000 1.600000 
1 1 1   -8   24   22 o   4.5740   0.7811   5.3870   0.9992   3.7600   1.2010 1.627000 1.562000 
1 1 1   -8   26    1 o   4.7580   0.6374   5.4600   0.7766   4.0560   1.0110 1.404000 1.275000 
1 1 1   -8   26    2 o   9.1120   0.3410   8.4150   0.5088   9.8090   0.4541 -1.395000 0.6820000 
1 1 1   -8   26    3 o   8.1890   0.3745   8.3200   0.5233   8.0570   0.5359 0.2633000 0.7490000 
1 1 1   -8   26    4 o   2.4400   0.7275   1.9810   0.9201   2.8990   1.1270 -0.9175000 1.455000 
1 1 1   -8   26    5 o   3.9170   0.7748   3.4910   1.1280   4.3430   1.0630 -0.8524000 1.550000 
1 1 1   -8   26    6 o   12.540   0.3443   12.650   0.5304   12.420   0.4391 0.2297000 0.6886000 
1 1 1   -8   26    7 o   8.2930   0.4598   8.5770   0.6792   8.0090   0.6199 0.5675000 0.9195000 
1 1 1   -8   26    8 o   6.8310   0.5739   6.2980   0.9298   7.3640   0.6730 -1.066000 1.148000 
1 1 1   -8   26    9 o   5.3520   0.6196   5.0010   0.9898   5.7030   0.7456 -0.7021000 1.239000 
1 1 1   -8   26   10 o   9.3740   0.3613   9.7230   0.5307   9.0250   0.4904 0.6980000 0.7226000 
1 1 1   -8   26   11 o   2.7060   0.7769   2.3170   1.0610   3.0950   1.1360 -0.7783000 1.554000 
1 1 1   -8   26   12 o   6.5670   0.6095   6.5310   0.9560   6.6020   0.7562 -0.7120000E-01 1.219000 
1 1 1   -8   26   13 o   5.6660   0.6893   5.9590   1.0170   5.3730   0.9306 0.5868000 1.379000 
1 1 1   -8   26   14 o   3.9940   0.7507   3.3100   1.1750   4.6780   0.9340 -1.369000 1.501000 
1 1 1   -8   26   15 o   4.8370   0.6818   4.9940   1.0040   4.6800   0.9228 0.3141000 1.364000 
1 1 1   -8   26   16 o   4.7950   0.7103   4.4190   1.1110   5.1710   0.8858 -0.7517000 1.421000 
1 1 1   -8   26   17 o   3.9480   0.9604   3.8750   1.5160   4.0200   1.1800 -0.1446000 1.921000 
1 1 1   -8   26   18 o   4.0030   0.9457   3.6140   1.4860   4.3930   1.1700 -0.7790000 1.891000 
1 1 1   -8   26   19 o   1.9170   0.6427   1.8610   0.8912   1.9740   0.9264 -0.1126000 1.285000 
1 1 1   -8   28    1 f   6.1790   0.5736   6.3800   0.7610   5.9770   0.8585 0.4032000 1.147000 
1 1 1   -8   28    2 o   2.9110   0.7936   3.2410   1.1490   2.5820   1.0950 0.6591000 1.587000 
1 1 1   -8   28    3 o   3.7820   0.7886   4.4060   1.0780   3.1590   1.1510 1.247000 1.577000 
1 1 1   -8   28    4 o   3.9350   0.7871   4.6480   1.0560   3.2210   1.1680 1.427000 1.574000 
1 1 1   -8   28    5 o   2.6860   0.7607   2.7400   1.1010   2.6320   1.0500 0.1084000 1.521000 
1 1 1   -8   28    6 o   4.0730   0.6904   5.5810   0.9066   2.5660   1.0420 3.015000 1.381000 
1 1 1   -8   28    7 o   2.6460   0.7510   3.1100   1.1540   2.1820   0.9614 0.9285000 1.502000 
1 1 1   -8   28    8 o   6.5740   0.5183   6.7730   0.7844   6.3750   0.6778 0.3985000 1.037000 
1 1 1   -8   28    9 o   3.1570   0.8068   3.2130   1.1860   3.1010   1.0950 0.1119000 1.614000 
1 1 1   -8   28   10 o   3.6980   0.7928   4.3100   1.1490   3.0860   1.0930 1.224000 1.586000 
1 1 1   -8   28   11 o   2.3030   0.7137   2.2620   1.0170   2.3440   1.0010 -0.8189000E-01 1.427000 
1 1 1   -8   28   12 o   2.5200   0.7919   2.7660   1.2080   2.2730   1.0240 0.4938000 1.584000 
1 1 1   -8   28   13 o   4.0730   0.9063   4.3550   1.3630   3.7900   1.1940 0.5645000 1.813000 
1 1 1   -8   28   14 f   2.3790   0.7804   2.4560   1.1720   2.3020   1.0310 0.1538000 1.561000 
1 1 1   -8   28   15 o   2.0560   0.6594   1.6470   0.8220   2.4650   1.0310 -0.8175000 1.319000 
1 1 1   -8   30    1 o   12.000   0.3438   12.250   0.4907   11.750   0.4817 0.5033000 0.6876000 
1 1 1   -8   30    2 o   4.3940   0.8092   4.1580   1.2170   4.6300   1.0670 -0.4715000 1.618000 
1 1 1   -8   30    3 o   2.2800   0.7158   1.8730   0.9068   2.6880   1.1080 -0.8154000 1.432000 
1 1 1   -8   30    4 o   3.0640   0.8041   3.7830   1.2310   2.3440   1.0340 1.439000 1.608000 
1 1 1   -8   30    5 f   5.9560   0.6430   6.4400   0.8465   5.4730   0.9680 0.9678000 1.286000 
1 1 1   -8   30    6 o   4.1190   0.8504   3.3940   1.3120   4.8440   1.0820 -1.450000 1.701000 
1 1 1   -8   30    7 o   2.1710   0.7143   2.0500   0.9903   2.2930   1.0300 -0.2431000 1.429000 
1 1 1   -8   30    8 o   3.2670   0.7520   2.4610   1.0790   4.0730   1.0480 -1.612000 1.504000 
1 1 1   -8   30    9 o   3.1550   0.8042   3.0850   1.1710   3.2260   1.1020 -0.1409000 1.608000 
1 1 1   -8   30   10 o   2.6880   0.8325   2.4740   1.1370   2.9030   1.2160 -0.4285000 1.665000 
1 1 1   -7    1    1 o   36.390   0.1972   36.610   0.2998   36.170   0.2563 0.4388000 0.3944000 
1 1 1   -7    1    2 o   25.150   0.1660   24.970   0.2561   25.340   0.2113 -0.3670000 0.3320000 
1 1 1   -7    1    3 o   26.070   0.1547   25.760   0.2166   26.380   0.2210 -0.6192000 0.3094000 
1 1 1   -7    1    4 o   33.240   0.1825   33.410   0.2402   33.080   0.2747 0.3357000 0.3649000 
1 1 1   -7    1    5 f   21.140   0.2313   21.140   0.2313  ?   ?       ?      ? 
1 1 1   -7    1    6 o   3.3310   0.2306   3.5590   0.3047   3.1030   0.3461 0.4560000 0.4611000 
1 1 1   -7    1    7 o   18.410   0.1326   18.800   0.1891   18.010   0.1860 0.7890000 0.2653000 
1 1 1   -7    1    8 o   28.740   0.1560   28.620   0.2196   28.860   0.2215 -0.2459000 0.3119000 
1 1 1   -7    1    9 o   14.540   0.1193   14.330   0.1682   14.760   0.1693 -0.4334000 0.2386000 
1 1 1   -7    1   10 o   10.340   0.1985   10.580   0.2818   10.100   0.2798 0.4716000 0.3971000 
1 1 1   -7    1   11 o   28.570   0.1622   28.680   0.2301   28.460   0.2288 0.2152000 0.3245000 
1 1 1   -7    1   12 o   4.8440   0.2965   5.3470   0.3751   4.3420   0.4594 1.005000 0.5930000 
1 1 1   -7    1   13 o   33.840   0.1872   33.970   0.2656   33.700   0.2638 0.2707000 0.3743000 
1 1 1   -7    1   14 o   36.390   0.1999   36.560   0.2838   36.230   0.2817 0.3297000 0.3999000 
1 1 1   -7    1   15 o   6.4360   0.2897   6.5350   0.4079   6.3380   0.4115 0.1967000 0.5794000 
1 1 1   -7    1   16 o   13.890   0.1844   13.780   0.2618   14.000   0.2599 -0.2170000 0.3689000 
1 1 1   -7    1   17 o   70.880   0.3621   70.660   0.5108   71.090   0.5134 -0.4233000 0.7243000 
1 1 1   -7    1   18 o   22.300   0.2583   22.920   0.3545   21.680   0.3759 1.238000 0.5167000 
1 1 1   -7    1   19 o   6.1000   0.5579   5.8090   0.8206   6.3910   0.7560 -0.5820000 1.116000 
1 1 1   -7    1   20 o   7.2440   0.4342   6.5460   0.6673   7.9420   0.5557 -1.396000 0.8684000 
1 1 1   -7    1   21 o   55.250   0.2952   55.060   0.4153   55.440   0.4195 -0.3830000 0.5903000 
1 1 1   -7    1   22 o   20.430   0.2051   20.770   0.2685   20.090   0.3102 0.6813000 0.4103000 
1 1 1   -7    1   23 o   25.940   0.3349   26.170   0.3902   25.710   0.5444 0.4569000 0.6698000 
1 1 1   -7    1   24 o   15.120   0.2293   15.100   0.3037   15.130   0.3437 -0.3370000E-01 0.4587000 
1 1 1   -7    1   25 o   13.450   0.2484   13.640   0.3248   13.250   0.3759 0.3844000 0.4968000 
1 1 1   -7    1   26 o   1.9140   0.6244   1.8340   0.8470   1.9930   0.9178 -0.1589000 1.249000 
1 1 1   -7    1   27 o   3.5470   0.6834   4.4430   0.8625   2.6510   1.0600 1.792000 1.367000 
1 1 1   -7    1   28 o   2.4510   0.7103   2.5360   1.0050   2.3660   1.0040 0.1698000 1.421000 
1 1 1   -7    1   29 o   7.1560   0.4152   6.7070   0.5902   7.6050   0.5843 -0.8982000 0.8305000 
1 1 1   -7    1   30 o   3.4490   0.8126   4.4000   1.2010   2.4970   1.0950 1.903000 1.625000 
1 1 1   -7    1   31 o   4.1820   0.7260   3.9390   1.0310   4.4240   1.0220 -0.4843000 1.452000 
1 1 1   -7    1   32 o   2.3540   0.7078   2.5800   1.0320   2.1270   0.9695 0.4522000 1.416000 
1 1 1   -7    1   33 o   2.1050   0.6810   2.1540   0.9784   2.0560   0.9476 0.9724000E-01 1.362000 
1 1 1   -7    1   34 o   2.3510   0.7970   2.9380   1.3210   1.7650   0.8917 1.173000 1.594000 
1 1 1   -7    3    1 o   75.280   0.4331   75.150   0.6114   75.420   0.6136 -0.2648000 0.8662000 
1 1 1   -7    3    2 o   32.670   0.1938   32.590   0.2735   32.750   0.2747 -0.1629000 0.3876000 
1 1 1   -7    3    3 o   8.6090   0.2023   8.6090   0.2023  ?   ?       ?      ? 
1 1 1   -7    3    4 o   78.330   0.6800   78.910   1.1170   77.760   0.7763 1.152000 1.360000 
1 1 1   -7    3    5 o   81.810   0.5264   81.340   0.8118   82.290   0.6702 -0.9521000 1.053000 
1 1 1   -7    3    6 o   66.450   0.3848   65.960   0.5403   66.950   0.5480 -0.9895000 0.7696000 
1 1 1   -7    3    7 o   72.700   0.4205   72.470   0.5929   72.920   0.5964 -0.4550000 0.8410000 
1 1 1   -7    3    8 o   41.330   0.2478   41.360   0.3508   41.300   0.3500 0.6554000E-01 0.4955000 
1 1 1   -7    3    9 o   55.190   0.3976   54.660   0.5572   55.720   0.5673 -1.054000 0.7952000 
1 1 1   -7    3   10 o   14.630   0.2210   14.330   0.2664   14.940   0.3527 -0.6107000 0.4420000 
1 1 1   -7    3   11 o   22.580   0.1565   22.480   0.2044   22.690   0.2370 -0.2127000 0.3130000 
1 1 1   -7    3   12 o   18.710   0.1524   18.850   0.2001   18.570   0.2298 0.2826000 0.3047000 
1 1 1   -7    3   13 o   28.240   0.1814   28.450   0.2386   28.030   0.2733 0.4146000 0.3628000 
1 1 1   -7    3   14 o   33.740   0.2066   33.550   0.2693   33.930   0.3135 -0.3829000 0.4133000 
1 1 1   -7    3   15 o   11.630   0.2046   11.900   0.2678   11.360   0.3094 0.5446000 0.4092000 
1 1 1   -7    3   16 o   22.120   0.1868   22.170   0.2466   22.070   0.2807 0.1020000 0.3737000 
1 1 1   -7    3   17 o   36.570   0.2278   36.620   0.2988   36.520   0.3438 0.9779000E-01 0.4555000 
1 1 1   -7    3   18 o   32.060   0.2798   32.050   0.3922   32.060   0.3990 -0.7698000E-02 0.5595000 
1 1 1   -7    3   19 o   25.250   0.2553   24.480   0.3972   26.020   0.3208 -1.534000 0.5105000 
1 1 1   -7    3   20 o   19.560   0.2492   20.320   0.2810   18.800   0.4118 1.520000 0.4985000 
1 1 1   -7    3   21 o   31.160   0.2178   31.440   0.2848   30.870   0.3297 0.5686000 0.4357000 
1 1 1   -7    3   22 o   12.600   0.2526   12.350   0.3394   12.850   0.3743 -0.4994000 0.5053000 
1 1 1   -7    3   23 o   14.640   0.3570   14.650   0.4345   14.640   0.5667 0.1033000E-01 0.7141000 
1 1 1   -7    3   24 f   5.1250   0.5721   5.4530   0.6821   4.7960   0.9187 0.6569000 1.144000 
1 1 1   -7    3   25 o   21.580   0.2419   21.140   0.2752   22.010   0.3980 -0.8685000 0.4838000 
1 1 1   -7    3   26 o   16.580   0.2273   16.260   0.2973   16.900   0.3438 -0.6413000 0.4546000 
1 1 1   -7    3   27 f   7.7660   0.3863   7.5820   0.5126   7.9500   0.5780 -0.3686000 0.7726000 
1 1 1   -7    3   28 o   8.9180   0.3414   9.3440   0.4328   8.4920   0.5281 0.8516000 0.6827000 
1 1 1   -7    3   29 o   5.4970   0.5472   5.5950   0.7122   5.4000   0.8309 0.1950000 1.094000 
1 1 1   -7    3   30 o   2.4480   0.7759   2.3360   1.0660   2.5600   1.1280 -0.2237000 1.552000 
1 1 1   -7    3   31 o   2.7880   0.6907   3.7100   1.0600   1.8660   0.8852 1.844000 1.381000 
1 1 1   -7    3   32 o   3.7200   0.7580   4.3480   0.9962   3.0920   1.1430 1.256000 1.516000 
1 1 1   -7    3   33 o   2.5500   0.7465   2.3070   1.0010   2.7930   1.1080 -0.4864000 1.493000 
1 1 1   -7    3   34 o   2.5440   0.8249   1.9420   0.9513   3.1470   1.3480 -1.204000 1.650000 
1 1 1   -7    5    1 o   88.180   0.4399   87.970   0.6208   88.380   0.6234 -0.4084000 0.8798000 
1 1 1   -7    5    2 o   48.040   0.2444   48.000   0.3455   48.070   0.3460 -0.6735000E-01 0.4889000 
1 1 1   -7    5    3 o   67.720   0.3668   67.400   0.5524   68.040   0.4827 -0.6402000 0.7335000 
1 1 1   -7    5    4 o   63.010   0.3665   62.730   0.5159   63.300   0.5207 -0.5750000 0.7329000 
1 1 1   -7    5    5 o   69.420   0.4027   69.310   0.5687   69.530   0.5703 -0.2155000 0.8053000 
1 1 1   -7    5    6 o   29.460   0.1893   29.630   0.2680   29.300   0.2674 0.3300000 0.3786000 
1 1 1   -7    5    7 o   7.2760   0.2092   7.3490   0.2960   7.2030   0.2958 0.1455000 0.4184000 
1 1 1   -7    5    8 o   13.310   0.2679  ?   ?    13.310   0.2679      ?      ? 
1 1 1   -7    5    9 o   57.980   0.3822   57.890   0.4827   58.060   0.5927 -0.1658000 0.7644000 
1 1 1   -7    5   10 o   30.060   0.1981   29.910   0.2793   30.200   0.2810 -0.2899000 0.3962000 
1 1 1   -7    5   11 o   8.5850   0.2238   8.3650   0.3226   8.8040   0.3104 -0.4398000 0.4476000 
1 1 1   -7    5   12 o   15.780   0.1742   15.910   0.2481   15.660   0.2446 0.2461000 0.3484000 
1 1 1   -7    5   13 o   28.910   0.2018   28.700   0.2856   29.110   0.2852 -0.4148000 0.4036000 
1 1 1   -7    5   14 o   18.910   0.2059   18.840   0.2637   18.970   0.3162 -0.1301000 0.4118000 
1 1 1   -7    5   15 o   12.200   0.2363   12.000   0.3422   12.390   0.3260 -0.3957000 0.4726000 
1 1 1   -7    5   16 o   14.360   0.2381   14.040   0.3428   14.670   0.3306 -0.6348000 0.4762000 
1 1 1   -7    5   17 o   40.270   0.2928   40.110   0.3688   40.440   0.4549 -0.3292000 0.5856000 
1 1 1   -7    5   18 o   10.770   0.3079   10.560   0.4299   10.980   0.4410 -0.4117000 0.6158000 
1 1 1   -7    5   19 o   25.860   0.2314   25.960   0.3276   25.760   0.3270 0.1938000 0.4629000 
1 1 1   -7    5   20 o   8.8470   0.3632   8.3190   0.4936   9.3760   0.5329 -1.057000 0.7264000 
1 1 1   -7    5   21 f   34.500   0.2295   34.350   0.2991   34.650   0.3480 -0.2956000 0.4589000 
1 1 1   -7    5   22 o   10.350   0.3451   10.090   0.4653   10.600   0.5099 -0.5154000 0.6903000 
1 1 1   -7    5   23 o   15.460   0.2692   15.680   0.3432   15.240   0.4150 0.4387000 0.5385000 
1 1 1   -7    5   24 o   3.8280   0.6595   4.9110   0.7746   2.7460   1.0680 2.165000 1.319000 
1 1 1   -7    5   25 o   13.270   0.2520   13.090   0.3361   13.450   0.3755 -0.3676000 0.5039000 
1 1 1   -7    5   26 o   4.7540   0.6092   5.0860   0.7425   4.4210   0.9661 0.6656000 1.218000 
1 1 1   -7    5   27 o   12.660   0.2591   12.780   0.3378   12.540   0.3929 0.2428000 0.5182000 
1 1 1   -7    5   28 o   5.8610   0.5026   5.0550   0.7597   6.6680   0.6583 -1.613000 1.005000 
1 1 1   -7    5   29 o   6.8520   0.4457   7.1980   0.5474   6.5050   0.7036 0.6931000 0.8914000 
1 1 1   -7    5   30 o   4.2610   0.8590   4.8580   1.1430   3.6650   1.2830 1.193000 1.718000 
1 1 1   -7    5   31 o   1.9880   0.6488   2.0190   0.9175   1.9580   0.9174 0.6061000E-01 1.298000 
1 1 1   -7    5   32 o   5.0810   0.6605   5.0680   0.8748   5.0940   0.9898 -0.2601000E-01 1.321000 
1 1 1   -7    5   33 o   6.7450   0.5168   7.5560   0.6070   5.9330   0.8366 1.622000 1.034000 
1 1 1   -7    7    1 o   57.100   0.2904   57.050   0.4103   57.150   0.4111 -0.1022000 0.5808000 
1 1 1   -7    7    2 o   39.090   0.2063   39.050   0.2913   39.130   0.2921 -0.8244000E-01 0.4125000 
1 1 1   -7    7    3 o   25.150   0.1498   24.820   0.2104   25.490   0.2134 -0.6689000 0.2997000 
1 1 1   -7    7    4 o   37.170   0.2566   37.390   0.3992   36.950   0.3224 0.4388000 0.5131000 
1 1 1   -7    7    5 o   8.2540   0.2605   8.1300   0.3765   8.3770   0.3601 -0.2468000 0.5210000 
1 1 1   -7    7    6 f   47.340   0.3479   47.410   0.4928   47.270   0.4914 0.1407000 0.6959000 
1 1 1   -7    7    7 o   35.710   0.2510   35.670   0.3176   35.740   0.3888 -0.7026000E-01 0.5020000 
1 1 1   -7    7    8 o   36.380   0.2557   36.530   0.3251   36.230   0.3948 0.3003000 0.5115000 
1 1 1   -7    7    9 o   15.060   0.1696   15.130   0.2398   14.980   0.2400 0.1539000 0.3393000 
1 1 1   -7    7   10 o   30.460   0.2051   30.500   0.2907   30.430   0.2895 0.7000000E-01 0.4102000 
1 1 1   -7    7   11 o   20.250   0.1795   20.070   0.2557   20.430   0.2521 -0.3520000 0.3591000 
1 1 1   -7    7   12 o   33.270   0.2221   33.330   0.3159   33.210   0.3124 0.1205000 0.4443000 
1 1 1   -7    7   13 o   23.110   0.1905   23.000   0.2700   23.230   0.2689 -0.2353000 0.3810000 
1 1 1   -7    7   14 o   8.2300   0.3157   7.9620   0.4636   8.4970   0.4287 -0.5353000 0.6314000 
1 1 1   -7    7   15 o   48.600   0.3011   48.390   0.4254   48.800   0.4263 -0.4119000 0.6022000 
1 1 1   -7    7   16 o   26.800   0.2659   26.180   0.3741   27.420   0.3779 -1.248000 0.5318000 
1 1 1   -7    7   17 o   30.220   0.2557   30.120   0.3940   30.320   0.3259 -0.1995000 0.5114000 
1 1 1   -7    7   18 o   25.390   0.2322   25.250   0.3313   25.530   0.3255 -0.2799000 0.4645000 
1 1 1   -7    7   19 o   9.6640   0.3751   10.020   0.5206   9.3100   0.5401 0.7083000 0.7501000 
1 1 1   -7    7   20 f   10.480   0.3241   10.640   0.4431   10.320   0.4731 0.3117000 0.6482000 
1 1 1   -7    7   21 o   14.930   0.2798   15.100   0.3500   14.770   0.4365 0.3288000 0.5595000 
1 1 1   -7    7   22 o   24.100   0.2489   24.480   0.3202   23.720   0.3811 0.7609000 0.4977000 
1 1 1   -7    7   23 o   6.7110   0.4332   6.0690   0.6467   7.3540   0.5765 -1.284000 0.8663000 
1 1 1   -7    7   24 o   3.4380   0.7379   3.4150   1.0110   3.4610   1.0750 -0.4619000E-01 1.476000 
1 1 1   -7    7   25 o   12.050   0.2693   12.440   0.3488   11.660   0.4103 0.7845000 0.5385000 
1 1 1   -7    7   26 o   8.6590   0.3473   8.9370   0.4452   8.3810   0.5331 0.5565000 0.6945000 
1 1 1   -7    7   27 o   7.6250   0.3915   7.6540   0.5228   7.5960   0.5828 0.5741000E-01 0.7829000 
1 1 1   -7    7   28 o   12.060   0.2775   12.610   0.3559   11.500   0.4258 1.112000 0.5550000 
1 1 1   -7    7   29 o   5.1510   0.7327   5.4900   0.8569   4.8120   1.1890 0.6784000 1.465000 
1 1 1   -7    7   30 o   3.1650   0.7773   2.6020   1.0780   3.7270   1.1200 -1.125000 1.555000 
1 1 1   -7    7   31 f   7.9360   0.4125   7.8380   0.5583   8.0350   0.6074 -0.1977000 0.8250000 
1 1 1   -7    7   32 o   2.5660   0.7420   2.7760   1.0690   2.3550   1.0300 0.4210000 1.484000 
1 1 1   -7    7   33 o   1.9460   0.6621   1.7740   0.8667   2.1180   1.0010 -0.3440000 1.324000 
1 1 1   -7    9    1 o   20.360   0.1689   19.990   0.2383   20.730   0.2393 -0.7352000 0.3377000 
1 1 1   -7    9    2 o   43.670   0.2666   43.700   0.3775   43.650   0.3767 0.5341000E-01 0.5333000 
1 1 1   -7    9    3 o   21.310   0.1710   21.480   0.2426   21.140   0.2411 0.3378000 0.3421000 
1 1 1   -7    9    4 o   17.680   0.1671   17.770   0.2376   17.600   0.2350 0.1615000 0.3342000 
1 1 1   -7    9    5 o   20.160   0.1720   20.040   0.2451   20.290   0.2414 -0.2471000 0.3440000 
1 1 1   -7    9    6 o   13.680   0.1799   13.730   0.2533   13.630   0.2554 0.1088000 0.3597000 
1 1 1   -7    9    7 o   11.690   0.2006   11.530   0.2819   11.840   0.2854 -0.3045000 0.4012000 
1 1 1   -7    9    8 o   21.130   0.1802   20.990   0.2527   21.280   0.2568 -0.2829000 0.3603000 
1 1 1   -7    9    9 f   11.650   0.2124   11.860   0.2896   11.450   0.3107 0.4092000 0.4247000 
1 1 1   -7    9   10 o   26.380   0.1982   26.420   0.2798   26.340   0.2807 0.8547000E-01 0.3964000 
1 1 1   -7    9   11 o   33.780   0.2276   33.900   0.3233   33.660   0.3206 0.2336000 0.4553000 
1 1 1   -7    9   12 o   39.120   0.2529   39.120   0.3584   39.130   0.3569 -0.1161000E-01 0.5059000 
1 1 1   -7    9   13 o   9.7830   0.2951   9.9210   0.4185   9.6450   0.4160 0.2762000 0.5901000 
1 1 1   -7    9   14 o   37.380   0.2506   37.310   0.3562   37.440   0.3525 -0.1310000 0.5011000 
1 1 1   -7    9   15 o   25.180   0.2694   25.290   0.3878   25.080   0.3739 0.2048000 0.5387000 
1 1 1   -7    9   16 o   36.530   0.2796   36.110   0.4306   36.950   0.3568 -0.8363000 0.5592000 
1 1 1   -7    9   17 o   26.720   0.2321   26.480   0.3303   26.970   0.3261 -0.4943000 0.4641000 
1 1 1   -7    9   18 o   25.310   0.2293   25.500   0.3274   25.110   0.3210 0.3937000 0.4585000 
1 1 1   -7    9   19 o   23.360   0.2229   23.260   0.3159   23.460   0.3144 -0.2002000 0.4457000 
1 1 1   -7    9   20 o   16.590   0.2981   16.230   0.4323   16.940   0.4105 -0.7095000 0.5962000 
1 1 1   -7    9   21 o   27.240   0.2540   27.330   0.3240   27.160   0.3914 0.1677000 0.5081000 
1 1 1   -7    9   22 o   10.300   0.3192   10.440   0.4433   10.160   0.4594 0.2777000 0.6384000 
1 1 1   -7    9   23 o   17.410   0.2387   17.340   0.3398   17.490   0.3351 -0.1477000 0.4773000 
1 1 1   -7    9   24 o   19.550   0.2295   19.350   0.3273   19.750   0.3220 -0.4043000 0.4591000 
1 1 1   -7    9   25 o   3.4180   0.7465   3.4870   1.0160   3.3490   1.0940 0.1376000 1.493000 
1 1 1   -7    9   26 o   10.770   0.2977   10.700   0.3997   10.840   0.4413 -0.1404000 0.5953000 
1 1 1   -7    9   27 o   9.4640   0.3278   9.1040   0.4569   9.8250   0.4702 -0.7216000 0.6556000 
1 1 1   -7    9   28 o   3.8160   0.8543   3.5730   1.1450   4.0590   1.2690 -0.4862000 1.709000 
1 1 1   -7    9   29 o   5.6690   0.6117   6.5990   0.7352   4.7400   0.9777 1.858000 1.223000 
1 1 1   -7    9   30 o   5.0580   0.6469   5.3540   0.8027   4.7630   1.0150 0.5910000 1.294000 
1 1 1   -7    9   31 o   2.3440   0.6989   2.8160   1.0740   1.8710   0.8939 0.9444000 1.398000 
1 1 1   -7    9   32 f   1.8560   0.6387   1.7650   0.8615   1.9470   0.9432 -0.1811000 1.277000 
1 1 1   -7   11    1 o   26.890   0.1701   26.940   0.2403   26.830   0.2407 0.1076000 0.3401000 
1 1 1   -7   11    2 o   19.020   0.1830   18.990   0.2569   19.050   0.2607 -0.5872000E-01 0.3660000 
1 1 1   -7   11    3 o   31.130   0.1841   31.210   0.2605   31.060   0.2601 0.1557000 0.3681000 
1 1 1   -7   11    4 o   17.710   0.1592   17.720   0.2254   17.690   0.2249 0.3234000E-01 0.3184000 
1 1 1   -7   11    5 o   7.7940   0.2719   7.8840   0.4065   7.7040   0.3612 0.1802000 0.5438000 
1 1 1   -7   11    6 o   38.650   0.2320   38.650   0.3509   38.660   0.3037 -0.8961000E-02 0.4640000 
1 1 1   -7   11    7 o   20.600   0.2132   20.860   0.3321   20.340   0.2673 0.5178000 0.4263000 
1 1 1   -7   11    8 o   23.130   0.2392   23.030   0.3404   23.230   0.3361 -0.1945000 0.4784000 
1 1 1   -7   11    9 o   25.790   0.2040   25.940   0.2877   25.640   0.2894 0.2979000 0.4081000 
1 1 1   -7   11   10 o   14.750   0.2159   14.480   0.3052   15.010   0.3055 -0.5311000 0.4318000 
1 1 1   -7   11   11 o   62.420   0.3743   62.340   0.5289   62.510   0.5298 -0.1699000 0.7486000 
1 1 1   -7   11   12 o   23.900   0.2103   23.720   0.2968   24.080   0.2982 -0.3537000 0.4207000 
1 1 1   -7   11   13 o   66.020   0.4860   66.230   0.6894   65.810   0.6850 0.4237000 0.9719000 
1 1 1   -7   11   14 o   37.810   0.2847   37.810   0.4394   37.810   0.3621 0.6088000E-02 0.5694000 
1 1 1   -7   11   15 o   6.4880   0.5586   7.3430   0.7411   5.6320   0.8359 1.711000 1.117000 
1 1 1   -7   11   16 o   55.140   0.3413   55.300   0.4849   54.980   0.4805 0.3195000 0.6827000 
1 1 1   -7   11   17 o   35.080   0.2515   34.770   0.3555   35.390   0.3558 -0.6237000 0.5030000 
1 1 1   -7   11   18 o   5.9510   0.5643   6.1100   0.7809   5.7930   0.8147 0.3169000 1.129000 
1 1 1   -7   11   19 o   5.7780   0.7437   5.7550   1.1180   5.8000   0.9812 -0.4438000E-01 1.487000 
1 1 1   -7   11   20 o   8.0310   0.4406   7.6240   0.6271   8.4370   0.6189 -0.8126000 0.8811000 
1 1 1   -7   11   21 o   15.500   0.2541   15.580   0.3675   15.420   0.3510 0.1668000 0.5082000 
1 1 1   -7   11   22 o   6.0410   0.5246   5.8050   0.7738   6.2770   0.7085 -0.4723000 1.049000 
1 1 1   -7   11   23 o   18.590   0.2356   18.390   0.3357   18.800   0.3308 -0.4149000 0.4713000 
1 1 1   -7   11   24 o   4.3130   0.7130   4.1060   1.0460   4.5190   0.9692 -0.4130000 1.426000 
1 1 1   -7   11   25 o   10.820   0.3184   10.930   0.4496   10.720   0.4509 0.2098000 0.6367000 
1 1 1   -7   11   26 o   11.340   0.3117   11.520   0.4307   11.160   0.4508 0.3642000 0.6235000 
1 1 1   -7   11   27 o   7.2810   0.5900   7.7500   0.7688   6.8130   0.8952 0.9371000 1.180000 
1 1 1   -7   11   28 o   10.910   0.3397   10.500   0.4918   11.320   0.4689 -0.8149000 0.6795000 
1 1 1   -7   11   29 o   2.8920   0.7895   2.6210   1.0740   3.1630   1.1570 -0.5422000 1.579000 
1 1 1   -7   11   30 o   4.6780   0.6874   3.9380   1.0330   5.4190   0.9071 -1.482000 1.375000 
1 1 1   -7   11   31 o   2.4210   0.7317   2.2390   0.9743   2.6040   1.0920 -0.3658000 1.463000 
1 1 1   -7   11   32 o   2.5430   0.7896   2.3500   1.0540   2.7370   1.1760 -0.3873000 1.579000 
1 1 1   -7   13    1 o   23.260   0.1711   23.550   0.2426   22.980   0.2414 0.5739000 0.3422000 
1 1 1   -7   13    2 f   20.790   0.1834   20.420   0.2773   21.160   0.2402 -0.7465000 0.3669000 
1 1 1   -7   13    3 o   52.500   0.2773   52.320   0.3910   52.690   0.3932 -0.3752000 0.5546000 
1 1 1   -7   13    4 o   17.420   0.2018   17.460   0.2845   17.370   0.2863 0.8870000E-01 0.4037000 
1 1 1   -7   13    5 o   59.900   0.3370   59.910   0.5098   59.900   0.4408 0.2678000E-02 0.6740000 
1 1 1   -7   13    6 o   20.860   0.1882   20.750   0.2847   20.970   0.2463 -0.2280000 0.3765000 
1 1 1   -7   13    7 o   17.740   0.1955   17.910   0.2971   17.570   0.2540 0.3360000 0.3909000 
1 1 1   -7   13    8 o   17.530   0.1993   17.810   0.3027   17.250   0.2595 0.5679000 0.3986000 
1 1 1   -7   13    9 o   17.170   0.2146   17.230   0.3073   17.120   0.2996 0.1099000 0.4292000 
1 1 1   -7   13   10 o   37.530   0.3130   37.610   0.4417   37.450   0.4435 0.1668000 0.6260000 
1 1 1   -7   13   11 o   31.110   0.2892   31.090   0.4064   31.130   0.4117 -0.4007000E-01 0.5785000 
1 1 1   -7   13   12 o   33.940   0.2729   33.870   0.4181   34.020   0.3509 -0.1569000 0.5458000 
1 1 1   -7   13   13 o   16.080   0.2757   15.970   0.4193   16.190   0.3579 -0.2190000 0.5513000 
1 1 1   -7   13   14 o   18.480   0.2738   18.980   0.3362   17.980   0.4322 0.9947000 0.5476000 
1 1 1   -7   13   15 o   46.560   0.3009   46.330   0.4247   46.780   0.4264 -0.4542000 0.6018000 
1 1 1   -7   13   16 o   12.230   0.2969   11.890   0.4228   12.580   0.4169 -0.6908000 0.5938000 
1 1 1   -7   13   17 o   16.050   0.3100   15.690   0.4511   16.410   0.4254 -0.7152000 0.6201000 
1 1 1   -7   13   18 o   29.480   0.2373   29.360   0.3339   29.610   0.3371 -0.2453000 0.4745000 
1 1 1   -7   13   19 f   16.800   0.2717   16.980   0.3519   16.610   0.4140 0.3705000 0.5434000 
1 1 1   -7   13   20 o   7.5250   0.4573   8.7980   0.5321   6.2520   0.7438 2.546000 0.9145000 
1 1 1   -7   13   21 o   2.3460   0.7091   2.0020   0.9258   2.6900   1.0740 -0.6880000 1.418000 
1 1 1   -7   13   22 o   5.4510   0.6001   5.1700   0.8916   5.7320   0.8035 -0.5618000 1.200000 
1 1 1   -7   13   23 o   12.700   0.2937   12.850   0.4200   12.550   0.4107 0.2982000 0.5874000 
1 1 1   -7   13   24 o   9.2910   0.3710   8.9090   0.5519   9.6730   0.4959 -0.7632000 0.7420000 
1 1 1   -7   13   25 o   10.240   0.3376   9.9480   0.4959   10.530   0.4583 -0.5810000 0.6752000 
1 1 1   -7   13   26 o   5.7220   0.7860   6.9440   0.9172   4.5010   1.2770 2.444000 1.572000 
1 1 1   -7   13   27 o   2.3850   0.7343   2.5340   1.0790   2.2360   0.9961 0.2981000 1.469000 
1 1 1   -7   13   28 o   3.6850   0.8458   3.8930   1.2450   3.4770   1.1460 0.4165000 1.692000 
1 1 1   -7   13   29 o   2.3410   0.7186   1.9470   0.9216   2.7340   1.1030 -0.7863000 1.437000 
1 1 1   -7   13   30 o   2.0250   0.6636   1.6290   0.8039   2.4200   1.0560 -0.7917000 1.327000 
1 1 1   -7   13   31 o   2.7580   0.8201   2.6050   1.1070   2.9120   1.2100 -0.3071000 1.640000 
1 1 1   -7   15    1 o   35.110   0.2101   34.790   0.2954   35.440   0.2988 -0.6486000 0.4202000 
1 1 1   -7   15    2 o   36.840   0.2336   36.440   0.3038   37.250   0.3548 -0.8089000 0.4671000 
1 1 1   -7   15    3 o   21.420   0.2090   21.170   0.2952   21.670   0.2959 -0.4952000 0.4180000 
1 1 1   -7   15    4 f   51.110   0.3170   51.580   0.4517   50.630   0.4450 0.9529000 0.6341000 
1 1 1   -7   15    5 o   4.0300   0.7612   3.8530   1.1650   4.2080   0.9807 -0.3551000 1.522000 
1 1 1   -7   15    6 o   10.330   0.3413   10.220   0.5266   10.440   0.4344 -0.2244000 0.6826000 
1 1 1   -7   15    7 o   31.430   0.2613   31.330   0.4043   31.530   0.3313 -0.2082000 0.5227000 
1 1 1   -7   15    8 o   46.300   0.3316   46.770   0.5170   45.830   0.4155 0.9471000 0.6632000 
1 1 1   -7   15    9 o   20.580   0.2485   20.660   0.3829   20.510   0.3170 0.1415000 0.4970000 
1 1 1   -7   15   10 o   5.7980   0.6364   5.3730   1.0340   6.2230   0.7417 -0.8494000 1.273000 
1 1 1   -7   15   11 o   25.470   0.2307   25.760   0.3284   25.170   0.3240 0.5952000 0.4613000 
1 1 1   -7   15   12 o   19.230   0.2432   19.040   0.3444   19.420   0.3434 -0.3800000 0.4863000 
1 1 1   -7   15   13 o   18.380   0.2728   18.020   0.4144   18.750   0.3550 -0.7290000 0.5457000 
1 1 1   -7   15   14 o   22.830   0.2391   22.320   0.3320   23.350   0.3441 -1.032000 0.4782000 
1 1 1   -7   15   15 o   16.060   0.3233   15.930   0.4626   16.200   0.4518 -0.2743000 0.6466000 
1 1 1   -7   15   16 o   11.090   0.3195   10.870   0.4583   11.320   0.4453 -0.4479000 0.6390000 
1 1 1   -7   15   17 o   5.8640   0.6213   6.0640   0.7893   5.6650   0.9598 0.3993000 1.243000 
1 1 1   -7   15   18 o   12.120   0.2997   11.930   0.4262   12.300   0.4214 -0.3669000 0.5993000 
1 1 1   -7   15   19 f   20.120   0.2365   20.120   0.3344   20.110   0.3346 0.1210000E-01 0.4731000 
1 1 1   -7   15   20 o   14.640   0.2676   14.570   0.3760   14.710   0.3810 -0.1432000 0.5353000 
1 1 1   -7   15   21 o   4.8060   0.6746   4.8140   0.9622   4.7990   0.9457 0.1504000E-01 1.349000 
1 1 1   -7   15   22 o   6.2660   0.5183   6.6700   0.6876   5.8620   0.7757 0.8079000 1.037000 
1 1 1   -7   15   23 o   5.8330   0.5525   5.9840   0.7703   5.6810   0.7924 0.3027000 1.105000 
1 1 1   -7   15   24 o   19.490   0.2455   19.580   0.3504   19.390   0.3440 0.1893000 0.4911000 
1 1 1   -7   15   25 o   9.6610   0.4717   9.7690   0.6515   9.5530   0.6823 0.2155000 0.9434000 
1 1 1   -7   15   26 o   3.5350   0.8511   3.6390   1.2530   3.4310   1.1530 0.2085000 1.702000 
1 1 1   -7   15   27 o   3.6670   0.8190   4.0310   1.1580   3.3030   1.1590 0.7278000 1.638000 
1 1 1   -7   15   28 o   3.8610   0.8118   4.1730   1.1360   3.5480   1.1600 0.6255000 1.624000 
1 1 1   -7   15   29 o   3.0150   0.8281   2.2420   1.0670   3.7880   1.2660 -1.546000 1.656000 
1 1 1   -7   15   30 o   3.0430   0.8179   2.5520   1.1360   3.5330   1.1770 -0.9807000 1.636000 
1 1 1   -7   17    1 o   25.440   0.2262   25.340   0.3165   25.550   0.3232 -0.2066000 0.4524000 
1 1 1   -7   17    2 o   23.140   0.2244   23.200   0.3143   23.080   0.3205 0.1259000 0.4489000 
1 1 1   -7   17    3 o   18.190   0.2351   18.220   0.3290   18.170   0.3359 0.5136000E-01 0.4702000 
1 1 1   -7   17    4 o   44.220   0.2514   43.960   0.3544   44.480   0.3565 -0.5252000 0.5027000 
1 1 1   -7   17    5 o   15.900   0.2187   15.820   0.3064   15.980   0.3122 -0.1636000 0.4375000 
1 1 1   -7   17    6 o   36.780   0.2434   36.770   0.3677   36.790   0.3191 -0.2224000E-01 0.4868000 
1 1 1   -7   17    7 o   16.710   0.2387   16.280   0.3691   17.130   0.3028 -0.8432000 0.4775000 
1 1 1   -7   17    8 o   17.290   0.2350   17.390   0.3579   17.190   0.3046 0.1978000 0.4700000 
1 1 1   -7   17    9 o   13.190   0.2697   13.250   0.4069   13.140   0.3540 0.1120000 0.5393000 
1 1 1   -7   17   10 o   7.3830   0.4275   7.5050   0.6293   7.2610   0.5788 0.2441000 0.8550000 
1 1 1   -7   17   11 o   14.770   0.3056   15.210   0.4727   14.330   0.3875 0.8778000 0.6112000 
1 1 1   -7   17   12 o   5.1930   0.8036   5.8310   1.0580   4.5560   1.2100 1.275000 1.607000 
1 1 1   -7   17   13 o   3.4310   0.7921   3.8130   1.1180   3.0480   1.1230 0.7650000 1.584000 
1 1 1   -7   17   14 o   5.0820   0.7494   5.7800   0.8258   4.3850   1.2510 1.395000 1.499000 
1 1 1   -7   17   15 o   19.460   0.2995   20.140   0.4220   18.790   0.4250 1.353000 0.5989000 
1 1 1   -7   17   16 o   11.190   0.3288   11.170   0.4431   11.210   0.4857 -0.3634000E-01 0.6575000 
1 1 1   -7   17   17 o   24.390   0.2364   24.760   0.3327   24.030   0.3359 0.7215000 0.4728000 
1 1 1   -7   17   18 f   12.580   0.2945   12.440   0.4222   12.720   0.4105 -0.2818000 0.5889000 
1 1 1   -7   17   19 o   16.470   0.2538   16.510   0.3579   16.440   0.3601 0.6886000E-01 0.5077000 
1 1 1   -7   17   20 o   5.6780   0.5807   5.6560   0.8071   5.7000   0.8352 -0.4379000E-01 1.161000 
1 1 1   -7   17   21 o   9.2680   0.3712   9.1860   0.5263   9.3490   0.5235 -0.1629000 0.7423000 
1 1 1   -7   17   22 o   14.480   0.2710   14.170   0.3838   14.780   0.3827 -0.6102000 0.5420000 
1 1 1   -7   17   23 o   6.4990   0.6911   7.5000   0.7888   5.4980   1.1350 2.002000 1.382000 
1 1 1   -7   17   24 o   9.4120   0.3813   9.0410   0.5662   9.7820   0.5108 -0.7409000 0.7626000 
1 1 1   -7   17   25 o   7.4300   0.5323   6.8980   0.8698   7.9610   0.6139 -1.063000 1.065000 
1 1 1   -7   17   26 o   6.0930   0.6008   5.4930   0.9351   6.6940   0.7545 -1.200000 1.202000 
1 1 1   -7   17   27 o   2.3900   0.7449   2.5130   1.0810   2.2660   1.0250 0.2467000 1.490000 
1 1 1   -7   17   28 o   2.4640   0.8113   2.5240   1.2030   2.4050   1.0890 0.1184000 1.623000 
1 1 1   -7   17   29 o   2.8630   1.3430   2.8630   1.3430  ?   ?       ?      ? 
1 1 1   -7   19    1 o   27.910   0.2052   27.740   0.2879   28.080   0.2924 -0.3372000 0.4104000 
1 1 1   -7   19    2 o   12.200   0.2672   12.270   0.3709   12.130   0.3848 0.1346000 0.5344000 
1 1 1   -7   19    3 o   45.640   0.2599   45.340   0.3650   45.950   0.3702 -0.6065000 0.5199000 
1 1 1   -7   19    4 o   23.910   0.2032   23.860   0.2845   23.970   0.2902 -0.1072000 0.4064000 
1 1 1   -7   19    5 o   18.940   0.2447   19.140   0.3448   18.750   0.3472 0.3922000 0.4894000 
1 1 1   -7   19    6 o   25.290   0.2638   25.480   0.4103   25.100   0.3318 0.3814000 0.5277000 
1 1 1   -7   19    7 o   24.360   0.2672   24.840   0.4176   23.870   0.3335 0.9656000 0.5344000 
1 1 1   -7   19    8 o   32.650   0.2832   32.530   0.4410   32.760   0.3554 -0.2336000 0.5664000 
1 1 1   -7   19    9 o   10.480   0.3190   10.900   0.4623   10.060   0.4399 0.8385000 0.6381000 
1 1 1   -7   19   10 o   11.890   0.3035   11.700   0.4284   12.070   0.4300 -0.3708000 0.6070000 
1 1 1   -7   19   11 o   7.9600   0.4217   8.2100   0.5787   7.7100   0.6134 0.4996000 0.8433000 
1 1 1   -7   19   12 o   9.6320   0.3375   10.070   0.4855   9.1900   0.4690 0.8833000 0.6750000 
1 1 1   -7   19   13 o   11.520   0.3001   11.710   0.4510   11.320   0.3962 0.3876000 0.6003000 
1 1 1   -7   19   14 o   19.550   0.2434   19.660   0.3403   19.440   0.3480 0.2198000 0.4868000 
1 1 1   -7   19   15 o   15.600   0.2693   15.840   0.3738   15.350   0.3879 0.4857000 0.5387000 
1 1 1   -7   19   16 o   3.1510   0.8049   3.3700   1.1320   2.9330   1.1450 0.4368000 1.610000 
1 1 1   -7   19   17 f   4.5950   0.7178   3.6380   1.1010   5.5520   0.9208 -1.914000 1.436000 
1 1 1   -7   19   18 o   2.6710   0.7537   3.0940   1.1220   2.2490   1.0070 0.8453000 1.507000 
1 1 1   -7   19   19 o   17.040   0.2574   16.730   0.3614   17.360   0.3666 -0.6292000 0.5148000 
1 1 1   -7   19   20 o   7.9040   0.4220   7.7640   0.6018   8.0430   0.5917 -0.2789000 0.8439000 
1 1 1   -7   19   21 o   13.520   0.3709   13.140   0.5186   13.900   0.5304 -0.7585000 0.7418000 
1 1 1   -7   19   22 o   5.7400   0.6105   6.1810   0.7783   5.3000   0.9407 0.8815000 1.221000 
1 1 1   -7   19   23 o   3.5760   0.8520   3.5730   1.2330   3.5790   1.1770 -0.6153000E-02 1.704000 
1 1 1   -7   19   24 o   3.3460   0.8216   3.0830   1.1700   3.6100   1.1540 -0.5263000 1.643000 
1 1 1   -7   19   25 o   3.6720   0.7817   4.6480   1.1060   2.6950   1.1050 1.954000 1.563000 
1 1 1   -7   19   26 o   4.1900   0.9489   3.3620   1.4610   5.0180   1.2110 -1.656000 1.898000 
1 1 1   -7   19   27 f   9.1550   0.4589   9.4310   0.6873   8.8790   0.6084 0.5516000 0.9179000 
1 1 1   -7   21    1 o   9.4090   0.3843   9.6770   0.5332   9.1400   0.5535 0.5370000 0.7686000 
1 1 1   -7   21    2 o   37.790   0.2704   38.050   0.3840   37.530   0.3807 0.5276000 0.5407000 
1 1 1   -7   21    3 o   7.0180   0.4936   7.1110   0.6895   6.9250   0.7065 0.1856000 0.9872000 
1 1 1   -7   21    4 o   14.060   0.2827   13.950   0.4006   14.180   0.3989 -0.2309000 0.5653000 
1 1 1   -7   21    5 o   2.7200   0.7767   2.6250   1.0850   2.8150   1.1120 -0.1902000 1.553000 
1 1 1   -7   21    6 o   9.2670   0.3587   9.1340   0.5414   9.3990   0.4707 -0.2650000 0.7174000 
1 1 1   -7   21    7 o   17.300   0.2423   17.050   0.3656   17.550   0.3181 -0.4961000 0.4846000 
1 1 1   -7   21    8 o   3.7540   0.7609   3.3170   1.1520   4.1900   0.9942 -0.8728000 1.522000 
1 1 1   -7   21    9 o   4.2180   0.7300   4.4090   1.0520   4.0270   1.0120 0.3823000 1.460000 
1 1 1   -7   21   10 o   10.070   0.3273   10.160   0.4864   9.9860   0.4382 0.1751000 0.6546000 
1 1 1   -7   21   11 o   2.7690   0.7463   3.1860   1.1180   2.3520   0.9887 0.8343000 1.493000 
1 1 1   -7   21   12 o   8.7620   0.3659   8.3670   0.5688   9.1570   0.4604 -0.7906000 0.7317000 
1 1 1   -7   21   13 f   10.140   0.3264   9.5430   0.5058   10.740   0.4126 -1.201000 0.6528000 
1 1 1   -7   21   14 o   8.7120   0.3613   8.7880   0.5394   8.6350   0.4807 0.1526000 0.7225000 
1 1 1   -7   21   15 f   7.6170   0.4131   7.4400   0.6322   7.7940   0.5319 -0.3540000 0.8262000 
1 1 1   -7   21   16 o   13.050   0.2991   13.250   0.4169   12.850   0.4290 0.4007000 0.5982000 
1 1 1   -7   21   17 o   5.3850   0.6496   5.7840   0.8402   4.9870   0.9909 0.7975000 1.299000 
1 1 1   -7   21   18 o   15.370   0.3657   14.950   0.4805   15.790   0.5515 -0.8370000 0.7315000 
1 1 1   -7   21   19 o   6.1500   0.7594   6.1080   0.9760   6.1930   1.1640 -0.8454000E-01 1.519000 
1 1 1   -7   21   20 o   14.180   0.2944   14.330   0.4086   14.030   0.4238 0.3061000 0.5887000 
1 1 1   -7   21   21 o   5.1810   0.7599   4.3590   1.2520   6.0040   0.8609 -1.645000 1.520000 
1 1 1   -7   21   22 o   2.3610   0.7211   2.8340   1.1240   1.8890   0.9038 0.9448000 1.442000 
1 1 1   -7   21   23 o   3.8200   0.8166   3.2100   1.1700   4.4290   1.1390 -1.219000 1.633000 
1 1 1   -7   21   24 o   3.2620   0.9294   2.8390   1.3130   3.6860   1.3150 -0.8472000 1.859000 
1 1 1   -7   21   25 f   3.0700   0.8179   2.4530   1.1120   3.6870   1.2000 -1.234000 1.636000 
1 1 1   -7   23    1 o   4.9860   0.6022   5.1150   0.8317   4.8580   0.8710 0.2569000 1.204000 
1 1 1   -7   23    2 o   13.890   0.2501   13.660   0.3592   14.120   0.3480 -0.4623000 0.5001000 
1 1 1   -7   23    3 o   3.2320   0.7477   2.9820   1.0620   3.4820   1.0530 -0.4998000 1.495000 
1 1 1   -7   23    4 o   15.960   0.2274   15.920   0.3234   15.990   0.3197 -0.6853000E-01 0.4547000 
1 1 1   -7   23    5 o   2.4480   0.7034   2.1680   0.9498   2.7280   1.0380 -0.5599000 1.407000 
1 1 1   -7   23    6 o   6.1850   0.5079   6.2150   0.7637   6.1540   0.6697 0.6097000E-01 1.016000 
1 1 1   -7   23    7 o   4.5810   0.6829   3.7690   1.1250   5.3930   0.7740 -1.624000 1.366000 
1 1 1   -7   23    8 o   9.2530   0.3576   9.0780   0.5511   9.4270   0.4557 -0.3490000 0.7151000 
1 1 1   -7   23    9 o   2.1830   0.6851   2.4240   1.0460   1.9420   0.8851 0.4823000 1.370000 
1 1 1   -7   23   10 o   3.0080   0.6688   4.2310   1.0430   1.7850   0.8380 2.446000 1.338000 
1 1 1   -7   23   11 f   9.0660   0.3554   9.2940   0.5240   8.8380   0.4803 0.4560000 0.7108000 
1 1 1   -7   23   12 o   3.2080   0.7605   3.6040   1.1120   2.8130   1.0380 0.7913000 1.521000 
1 1 1   -7   23   13 o   5.6400   0.5417   5.7070   0.8136   5.5720   0.7154 0.1349000 1.083000 
1 1 1   -7   23   14 o   8.9350   0.3589   8.5090   0.5554   9.3610   0.4547 -0.8529000 0.7178000 
1 1 1   -7   23   15 o   3.9250   0.8487   4.2370   1.2120   3.6130   1.1890 0.6238000 1.697000 
1 1 1   -7   23   16 o   6.7440   0.6463   4.9460   1.1330   8.5420   0.6224 -3.595000 1.293000 
1 1 1   -7   23   17 o   6.0750   0.5500   5.4890   0.8935   6.6620   0.6417 -1.173000 1.100000 
1 1 1   -7   23   18 o   3.5240   1.1730  ?   ?    3.5240   1.1730      ?      ? 
1 1 1   -7   23   19 o   3.6150   0.8358   3.1410   1.2230   4.0890   1.1400 -0.9479000 1.672000 
1 1 1   -7   23   20 o   6.3340   0.5762   6.1870   0.8325   6.4810   0.7969 -0.2937000 1.152000 
1 1 1   -7   23   21 o   2.4660   0.7569   2.4850   1.0670   2.4460   1.0730 0.3930000E-01 1.514000 
1 1 1   -7   23   22 o   5.5090   0.9542   5.0030   1.5900   6.0160   1.0560 -1.012000 1.908000 
1 1 1   -7   23   23 o   5.9250   0.7244   5.5710   1.1540   6.2800   0.8763 -0.7085000 1.449000 
1 1 1   -7   25    1 o   7.3370   0.4149   8.3390   0.5047   6.3340   0.6587 2.005000 0.8298000 
1 1 1   -7   25    2 o   7.1800   0.4080   7.2710   0.5712   7.0890   0.5827 0.1819000 0.8159000 
1 1 1   -7   25    3 o   9.6780   0.3222   10.430   0.4253   8.9260   0.4840 1.505000 0.6443000 
1 1 1   -7   25    4 o   2.8230   0.7363   3.0270   1.0540   2.6190   1.0280 0.4080000 1.473000 
1 1 1   -7   25    5 o   3.2010   0.7198   2.5770   1.0220   3.8250   1.0140 -1.248000 1.440000 
1 1 1   -7   25    6 o   8.9730   0.3670   9.3510   0.5372   8.5950   0.5001 0.7558000 0.7339000 
1 1 1   -7   25    7 o   7.1580   0.4506   6.7650   0.7081   7.5520   0.5575 -0.7871000 0.9012000 
1 1 1   -7   25    8 o   2.0180   0.6556   2.0430   0.9484   1.9920   0.9055 0.5103000E-01 1.311000 
1 1 1   -7   25    9 o   2.6920   0.7565   2.5880   1.0820   2.7970   1.0570 -0.2087000 1.513000 
1 1 1   -7   25   10 o   3.5680   0.8302   3.0420   1.2000   4.0930   1.1480 -1.051000 1.660000 
1 1 1   -7   25   11 o   7.3100   0.5680   6.2570   0.9496   8.3630   0.6234 -2.106000 1.136000 
1 1 1   -7   25   12 o   7.4550   0.4328   7.7260   0.6277   7.1850   0.5959 0.5410000 0.8655000 
1 1 1   -7   25   13 o   6.9710   0.4735   6.9720   0.7150   6.9700   0.6210 0.2376000E-02 0.9470000 
1 1 1   -7   25   14 f   2.5140   0.7597   2.2760   1.0500   2.7520   1.0980 -0.4765000 1.519000 
1 1 1   -7   25   15 o   6.0150   0.6500   6.6420   0.9147   5.3870   0.9237 1.256000 1.300000 
1 1 1   -7   25   16 o   1.9960   0.6351   1.5330   0.7640   2.4590   1.0150 -0.9260000 1.270000 
1 1 1   -7   25   17 o   7.2640   0.4736   7.6220   0.6759   6.9070   0.6635 0.7152000 0.9471000 
1 1 1   -7   25   18 o   2.0940   0.6767   2.1910   0.9935   1.9960   0.9192 0.1951000 1.353000 
1 1 1   -7   25   19 o   2.0600   0.6988   2.2290   1.0590   1.8910   0.9123 0.3382000 1.398000 
1 1 1   -7   25   20 o   2.5830   0.7882   2.4220   1.0930   2.7440   1.1360 -0.3221000 1.576000 
1 1 1   -7   27    1 o   4.7320   0.7141   5.5140   0.8803   3.9510   1.1250 1.563000 1.428000 
1 1 1   -7   27    2 o   3.9190   0.7921   4.1630   1.0980   3.6740   1.1420 0.4888000 1.584000 
1 1 1   -7   27    3 f   4.1470   0.7730   4.1190   1.1020   4.1760   1.0850 -0.5704000E-01 1.546000 
1 1 1   -7   27    4 o   2.2720   0.6642   1.6430   0.8068   2.9020   1.0550 -1.259000 1.328000 
1 1 1   -7   27    5 o   7.2360   0.4200   7.9460   0.5391   6.5250   0.6441 1.420000 0.8399000 
1 1 1   -7   27    6 o   3.7660   0.8512   4.1550   1.2560   3.3770   1.1490 0.7782000 1.702000 
1 1 1   -7   27    7 o   2.5570   0.7814   2.6650   1.1530   2.4500   1.0550 0.2158000 1.563000 
1 1 1   -7   27    8 o   3.3840   0.8579   3.3950   1.2720   3.3720   1.1510 0.2309000E-01 1.716000 
1 1 1   -7   27    9 o   2.9730   0.8333   3.5500   1.2920   2.3960   1.0530 1.154000 1.667000 
1 1 1   -7   27   10 o   9.9440   0.4167   9.6690   0.6512   10.220   0.5199 -0.5489000 0.8333000 
1 1 1   -7   27   11 o   9.3850   0.3695   9.2490   0.5651   9.5220   0.4761 -0.2733000 0.7389000 
1 1 1   -7   27   12 o   2.0310   0.6516   1.7510   0.8500   2.3100   0.9878 -0.5582000 1.303000 
1 1 1   -7   27   13 o   2.8400   0.7566   2.4070   1.0470   3.2730   1.0920 -0.8659000 1.513000 
1 1 1   -7   27   14 o   3.9310   0.7607   4.7990   1.0540   3.0620   1.0970 1.737000 1.521000 
1 1 1   -7   27   15 o   4.6600   0.8478   4.9470   1.2500   4.3740   1.1460 0.5728000 1.696000 
1 1 1   -7   27   16 o   2.6100   0.7988   3.2980   1.3070   1.9220   0.9182 1.376000 1.598000 
1 1 1   -7   27   17 o   2.2540   0.7027   2.0290   0.9520   2.4800   1.0340 -0.4509000 1.405000 
1 1 1   -7   29    1 o   6.1620   0.5220   6.6200   0.6893   5.7050   0.7842 0.9155000 1.044000 
1 1 1   -7   29    2 o   10.060   0.3345   9.7380   0.4899   10.380   0.4554 -0.6446000 0.6689000 
1 1 1   -7   29    3 o   3.6120   0.7666   3.3610   1.1080   3.8630   1.0600 -0.5022000 1.533000 
1 1 1   -7   29    4 o   3.0560   0.7580   2.6180   1.0550   3.4940   1.0880 -0.8763000 1.516000 
1 1 1   -7   29    5 o   2.0940   0.6557   1.6920   0.8178   2.4970   1.0250 -0.8045000 1.311000 
1 1 1   -7   29    6 f   2.8270   0.7599   3.4090   1.1640   2.2460   0.9775 1.163000 1.520000 
1 1 1   -7   29    7 o   9.0700   0.4029   9.1260   0.6173   9.0140   0.5179 0.1118000 0.8058000 
1 1 1   -7   29    8 o   3.5860   0.8185   3.5830   1.2120   3.5890   1.1000 -0.6718000E-02 1.637000 
1 1 1   -7   29    9 o   7.2810   0.6365   6.9080   1.0640   7.6540   0.6994 -0.7457000 1.273000 
1 1 1   -7   29   10 o   2.5090   0.7862   2.4000   1.1190   2.6190   1.1040 -0.2190000 1.572000 
1 1 1   -7   29   11 o   6.1720   0.7174   5.6940   1.1970   6.6500   0.7913 -0.9564000 1.435000 
1 1 1   -7   29   12 o   2.0870   0.6521   1.5680   0.7794   2.6060   1.0460 -1.038000 1.304000 
1 1 1   -7   29   13 o   1.9030   0.6367   2.2400   1.0140   1.5660   0.7707 0.6742000 1.273000 
1 1 1   -7   31    1 o   2.3280   0.7342   2.0390   0.9635   2.6160   1.1080 -0.5768000 1.468000 
1 1 1   -7   31    2 o   1.7630   0.6087   1.9100   0.9179   1.6170   0.7997 0.2930000 1.217000 
1 1 1   -7   31    3 o   1.7180   0.5956   1.6980   0.8373   1.7380   0.8472 -0.3978000E-01 1.191000 
1 1 1   -7   31    4 o   2.3770   0.7444   2.2130   1.0170   2.5420   1.0870 -0.3291000 1.489000 
1 1 1   -7   31    5 o   2.1000   0.6932   1.8570   0.9005   2.3430   1.0540 -0.4864000 1.386000 
1 1 1   -6    0    1 o   8.9280   0.1052   8.9280   0.1052   8.9280   0.1052 -0.000000 0.000000 
1 1 1   -6    0    2 o   65.250   0.4582   65.250   0.4582   65.250   0.4582 -0.000000 0.000000 
1 1 1   -6    0    3 f   6.6680   0.1379   6.6680   0.1379   6.6680   0.1379 -0.000000 0.000000 
1 1 1   -6    0    4 o   41.060   0.2917   41.060   0.2917   41.060   0.2917 -0.000000 0.000000 
1 1 1   -6    0    6 o   16.520   0.1679   16.520   0.1679   16.520   0.1679 -0.000000 0.000000 
1 1 1   -6    0    7 o   32.580   0.2414   32.580   0.2414   32.580   0.2414 -0.000000 0.000000 
1 1 1   -6    0    8 o   19.610   0.1720   19.610   0.1720   19.610   0.1720 -0.000000 0.000000 
1 1 1   -6    0    9 o   44.720   0.3250   44.720   0.3250   44.720   0.3250 -0.000000 0.000000 
1 1 1   -6    0   10 f   41.510   0.4323   41.510   0.4323   41.510   0.4323 -0.000000 0.000000 
1 1 1   -6    0   11 o   1.7670   0.8580   1.7670   0.8580   1.7670   0.8580 -0.000000 0.000000 
1 1 1   -6    0   12 o   25.150   0.2155   25.150   0.2155   25.150   0.2155 -0.000000 0.000000 
1 1 1   -6    0   13 o   48.370   0.3555   48.370   0.3555   48.370   0.3555 -0.000000 0.000000 
1 1 1   -6    0   14 o   2.8200   0.9181   2.8200   0.9181   2.8200   0.9181 -0.000000 0.000000 
1 1 1   -6    0   15 o   69.140   0.4972   69.140   0.4972   69.140   0.4972 -0.000000 0.000000 
1 1 1   -6    0   16 o   20.380   0.2350   20.380   0.2350   20.380   0.2350 -0.000000 0.000000 
1 1 1   -6    0   17 o   36.330   0.2971   36.330   0.2971   36.330   0.2971 -0.000000 0.000000 
1 1 1   -6    0   18 o   58.280   0.6088   58.280   0.6088   58.280   0.6088 -0.000000 0.000000 
1 1 1   -6    0   19 o   26.730   0.2770   26.730   0.2770   26.730   0.2770 -0.000000 0.000000 
1 1 1   -6    0   20 o   12.660   0.3762   12.660   0.3762   12.660   0.3762 -0.000000 0.000000 
1 1 1   -6    0   21 o   52.190   0.3970   52.190   0.3970   52.190   0.3970 -0.000000 0.000000 
1 1 1   -6    0   22 o   42.380   0.3392   42.380   0.3392   42.380   0.3392 -0.000000 0.000000 
1 1 1   -6    0   23 o   14.840   0.4371   14.840   0.4371   14.840   0.4371 -0.000000 0.000000 
1 1 1   -6    0   24 o   11.550   0.3560   11.550   0.3560   11.550   0.3560 -0.000000 0.000000 
1 1 1   -6    0   25 o   6.0900   0.6277   6.0900   0.6277   6.0900   0.6277 -0.000000 0.000000 
1 1 1   -6    0   26 o   1.8340   1.1050   1.8340   1.1050   1.8340   1.1050 -0.000000 0.000000 
1 1 1   -6    0   27 o   1.2380   0.8577   1.2380   0.8577   1.2380   0.8577 -0.000000 0.000000 
1 1 1   -6    0   28 o   3.3860   1.3230   3.3860   1.3230   3.3860   1.3230 -0.000000 0.000000 
1 1 1   -6    0   29 o   3.2640   1.3210   3.2640   1.3210   3.2640   1.3210 -0.000000 0.000000 
1 1 1   -6    0   30 f   1.7620   1.1660   1.7620   1.1660   1.7620   1.1660 -0.000000 0.000000 
1 1 1   -6    0   31 o   5.7030   0.8778   5.7030   0.8778   5.7030   0.8778 -0.000000 0.000000 
1 1 1   -6    0   32 o   1.7980   1.1450   1.7980   1.1450   1.7980   1.1450 -0.000000 0.000000 
1 1 1   -6    0   33 o   2.1560   1.2660   2.1560   1.2660   2.1560   1.2660 -0.000000 0.000000 
1 1 1   -6    0   34 o   2.6150   1.6000   2.6150   1.6000   2.6150   1.6000 -0.000000 0.000000 
1 1 1   -6    2    1 o   32.280   0.1638   32.300   0.2318   32.260   0.2314 0.4379000E-01 0.3275000 
1 1 1   -6    2    2 o   29.370   0.1741   29.570   0.2480   29.170   0.2444 0.3993000 0.3482000 
1 1 1   -6    2    3 o   31.480   0.1865   31.290   0.2624   31.660   0.2650 -0.3745000 0.3729000 
1 1 1   -6    2    4 o   56.360   0.3992   55.940   0.5605   56.780   0.5686 -0.8328000 0.7984000 
1 1 1   -6    2    5 o   53.710   0.3486   53.540   0.5389   53.870   0.4424 -0.3326000 0.6972000 
1 1 1   -6    2    6 o   18.920   0.1334   18.840   0.1886   19.010   0.1886 -0.1742000 0.2668000 
1 1 1   -6    2    7 o   56.450   0.3287   56.390   0.4645   56.510   0.4651 -0.1196000 0.6573000 
1 1 1   -6    2    8 o   31.140   0.1937   30.990   0.2731   31.290   0.2747 -0.2960000 0.3873000 
1 1 1   -6    2    9 o   39.300   0.2221   39.330   0.2910   39.260   0.3356 0.6876000E-01 0.4442000 
1 1 1   -6    2   10 o   22.030   0.2397   21.930   0.2808   22.130   0.3886 -0.1957000 0.4794000 
1 1 1   -6    2   11 o   34.360   0.2015   34.600   0.2649   34.120   0.3036 0.4737000 0.4030000 
1 1 1   -6    2   12 o   36.400   0.2126   36.480   0.2788   36.320   0.3210 0.1582000 0.4252000 
1 1 1   -6    2   13 o   11.390   0.1772   11.390   0.2329   11.400   0.2671 -0.7491000E-02 0.3544000 
1 1 1   -6    2   14 o   33.600   0.2052   33.660   0.2688   33.540   0.3101 0.1117000 0.4104000 
1 1 1   -6    2   15 o   36.590   0.2205   36.620   0.2889   36.560   0.3333 0.6661000E-01 0.4411000 
1 1 1   -6    2   16 o   39.360   0.2366   39.280   0.3090   39.440   0.3583 -0.1567000 0.4731000 
1 1 1   -6    2   17 o   63.320   0.3529   63.230   0.4612   63.410   0.5343 -0.1799000 0.7058000 
1 1 1   -6    2   18 o   29.650   0.2698   29.740   0.3786   29.560   0.3844 0.1806000 0.5395000 
1 1 1   -6    2   19 o   33.830   0.2277   33.830   0.2977   33.840   0.3447 -0.7393000E-02 0.4554000 
1 1 1   -6    2   20 o   7.2690   0.4657   7.7250   0.5559   6.8130   0.7474 0.9128000 0.9314000 
1 1 1   -6    2   21 o   31.300   0.2204   30.910   0.2858   31.690   0.3357 -0.7747000 0.4409000 
1 1 1   -6    2   22 o   18.070   0.2133   18.000   0.2766   18.140   0.3248 -0.1373000 0.4266000 
1 1 1   -6    2   23 o   3.2470   0.8764   3.4620   1.2110   3.0330   1.2670 0.4286000 1.753000 
1 1 1   -6    2   24 o   5.0480   0.5590   4.7130   0.7859   5.3840   0.7951 -0.6708000 1.118000 
1 1 1   -6    2   25 o   24.350   0.2099   24.350   0.2741   24.350   0.3180 0.9861001E-03 0.4198000 
1 1 1   -6    2   26 o   2.9760   0.7068   3.6550   1.0000   2.2980   0.9989 1.356000 1.414000 
1 1 1   -6    2   27 o   6.6490   0.4513   6.8140   0.5807   6.4840   0.6910 0.3301000 0.9026000 
1 1 1   -6    2   28 o   8.9800   0.3505   8.4970   0.4880   9.4630   0.5033 -0.9660000 0.7010000 
1 1 1   -6    2   29 o   3.0200   0.7301   2.3320   0.9745   3.7090   1.0870 -1.377000 1.460000 
1 1 1   -6    2   30 o   2.5890   0.7817   2.0420   0.9724   3.1360   1.2240 -1.095000 1.563000 
1 1 1   -6    2   31 o   8.9330   0.3730   9.1930   0.4771   8.6730   0.5734 0.5196000 0.7459000 
1 1 1   -6    2   32 o   6.5660   0.5005   7.1770   0.6024   5.9540   0.7993 1.224000 1.001000 
1 1 1   -6    2   33 o   3.2440   0.7678   3.6280   1.0600   2.8590   1.1110 0.7683000 1.536000 
1 1 1   -6    2   34 o   2.4510   0.8046   1.6160   0.8136   3.2860   1.3880 -1.669000 1.609000 
1 1 1   -6    4    1 o   38.770   0.2811   39.250   0.4015   38.300   0.3935 0.9497000 0.5622000 
1 1 1   -6    4    2 o   31.760   0.1924   31.740   0.2718   31.780   0.2724 -0.3782000E-01 0.3848000 
1 1 1   -6    4    3 o   17.170   0.1429   17.200   0.2217   17.130   0.1803 0.7534000E-01 0.2857000 
1 1 1   -6    4    4 o   54.360   0.3542   54.190   0.5474   54.530   0.4498 -0.3415000 0.7085000 
1 1 1   -6    4    5 o   81.600   0.4705   81.660   0.6660   81.540   0.6649 0.1216000 0.9411000 
1 1 1   -6    4    6 o   79.810   0.4609   79.510   0.6495   80.110   0.6541 -0.5952000 0.9218000 
1 1 1   -6    4    7 o   77.830   0.4504   77.770   0.6365   77.890   0.6374 -0.1200000 0.9008000 
1 1 1   -6    4    8 o   59.080   0.3463   58.730   0.4869   59.440   0.4925 -0.7145000 0.6926000 
1 1 1   -6    4    9 o   43.510   0.3926   43.490   0.4546   43.530   0.6401 -0.4011000E-01 0.7851000 
1 1 1   -6    4   10 o   53.170   0.3530   52.850   0.4435   53.500   0.5494 -0.6479000 0.7060000 
1 1 1   -6    4   11 o   22.730   0.1705   22.740   0.2407   22.710   0.2416 0.2461000E-01 0.3410000 
1 1 1   -6    4   12 o   8.8620   0.2237   8.7580   0.3187   8.9650   0.3141 -0.2067000 0.4475000 
1 1 1   -6    4   13 o   10.480   0.2122   10.560   0.2983   10.400   0.3019 0.1683000 0.4244000 
1 1 1   -6    4   14 o   34.240   0.2107   33.990   0.2736   34.490   0.3205 -0.5043000 0.4214000 
1 1 1   -6    4   15 o   2.9370   0.6350   3.3310   0.8411   2.5430   0.9516 0.7887000 1.270000 
1 1 1   -6    4   16 o   14.400   0.2352   14.280   0.3304   14.520   0.3348 -0.2379000 0.4704000 
1 1 1   -6    4   17 o   82.090   0.4516   82.240   0.5918   81.940   0.6823 0.2950000 0.9032000 
1 1 1   -6    4   18 o   6.2120   0.6448   6.9870   0.7435   5.4370   1.0540 1.550000 1.290000 
1 1 1   -6    4   19 o   19.760   0.2231   19.450   0.2917   20.070   0.3377 -0.6191000 0.4463000 
1 1 1   -6    4   20 o   13.270   0.2679   12.850   0.3540   13.690   0.4022 -0.8328000 0.5358000 
1 1 1   -6    4   21 o   6.7800   0.4522   6.7630   0.5717   6.7960   0.7009 -0.3341000E-01 0.9045000 
1 1 1   -6    4   22 o   13.580   0.2839   13.790   0.3649   13.360   0.4351 0.4375000 0.5679000 
1 1 1   -6    4   23 o   25.270   0.2482   25.380   0.3130   25.170   0.3854 0.2095000 0.4964000 
1 1 1   -6    4   24 o   4.5690   0.6310   4.8370   0.7804   4.3010   0.9918 0.5361000 1.262000 
1 1 1   -6    4   25 o   6.2290   0.4618   6.1110   0.6133   6.3480   0.6905 -0.2371000 0.9236000 
1 1 1   -6    4   26 o   20.600   0.2139   20.570   0.2794   20.640   0.3240 -0.7135000E-01 0.4279000 
1 1 1   -6    4   27 o   6.7350   0.4306   6.5350   0.5843   6.9350   0.6327 -0.3995000 0.8612000 
1 1 1   -6    4   28 o   9.6540   0.3245  10.0000   0.4143   9.3070   0.4996 0.6934000 0.6491000 
1 1 1   -6    4   29 o   10.070   0.3154   10.520   0.4031   9.6240   0.4853 0.8933000 0.6309000 
1 1 1   -6    4   30 o   2.6300   0.7908   3.1490   1.2260   2.1120   0.9996 1.038000 1.582000 
1 1 1   -6    4   31 o   7.1050   0.4490   7.2800   0.5940   6.9290   0.6734 0.3511000 0.8979000 
1 1 1   -6    4   32 o   6.6850   0.4993   7.0130   0.6288   6.3570   0.7758 0.6562000 0.9986000 
1 1 1   -6    4   33 f   3.8610   0.7761   4.4460   1.0230   3.2760   1.1670 1.170000 1.552000 
1 1 1   -6    4   34 o   2.2390   1.1140   2.2390   1.1140  ?   ?       ?      ? 
1 1 1   -6    6    1 o   76.400   0.3826   76.220   0.5397   76.590   0.5423 -0.3677000 0.7651000 
1 1 1   -6    6    2 o   35.640   0.1885   35.580   0.2662   35.690   0.2669 -0.1097000 0.3769000 
1 1 1   -6    6    3 o   98.810   0.5323   98.980   0.8061   98.640   0.6954 0.3394000 1.065000 
1 1 1   -6    6    4 o   18.810   0.1484   18.900   0.2108   18.720   0.2088 0.1844000 0.2967000 
1 1 1   -6    6    5 o   15.890   0.1479   15.780   0.2083   16.000   0.2099 -0.2182000 0.2957000 
1 1 1   -6    6    6 o   5.9610   0.3284   6.2510   0.4482   5.6720   0.4801 0.5789000 0.6568000 
1 1 1   -6    6    7 o   36.700   0.2798   36.500   0.3934   36.900   0.3980 -0.4010000 0.5597000 
1 1 1   -6    6    8 o   29.690   0.2184   29.220   0.2737   30.170   0.3404 -0.9460000 0.4368000 
1 1 1   -6    6    9 o   27.810   0.1906   28.100   0.2718   27.520   0.2674 0.5765000 0.3813000 
1 1 1   -6    6   10 o   24.120   0.1791   24.280   0.2544   23.960   0.2521 0.3175000 0.3582000 
1 1 1   -6    6   11 o   6.5660   0.2963   6.9270   0.3957   6.2060   0.4412 0.7211000 0.5926000 
1 1 1   -6    6   12 o   36.720   0.2351   36.910   0.3338   36.530   0.3313 0.3815000 0.4703000 
1 1 1   -6    6   13 o   50.170   0.3047   50.110   0.4309   50.240   0.4311 -0.1245000 0.6095000 
1 1 1   -6    6   14 o   46.880   0.2891   46.670   0.4080   47.090   0.4097 -0.4130000 0.5782000 
1 1 1   -6    6   15 f   60.020   0.3600   59.600   0.5063   60.440   0.5119 -0.8392000 0.7200000 
1 1 1   -6    6   16 o   22.210   0.2085   22.400   0.2965   22.020   0.2933 0.3760000 0.4171000 
1 1 1   -6    6   17 o   30.890   0.3408   30.910   0.5535   30.870   0.3979 0.3911000E-01 0.6817000 
1 1 1   -6    6   18 o   21.710   0.2536   21.960   0.3911   21.460   0.3230 0.4950000 0.5072000 
1 1 1   -6    6   19 o   13.200   0.2778   13.040   0.3577   13.360   0.4251 -0.3192000 0.5556000 
1 1 1   -6    6   20 o   21.050   0.2126   21.050   0.2777   21.050   0.3220 -0.5379000E-03 0.4252000 
1 1 1   -6    6   21 o   31.360   0.2221   31.190   0.2896   31.530   0.3368 -0.3396000 0.4442000 
1 1 1   -6    6   22 o   9.9950   0.4612   9.8150   0.6094   10.180   0.6926 -0.3606000 0.9225000 
1 1 1   -6    6   23 o   13.380   0.2488   13.370   0.3247   13.390   0.3771 -0.2559000E-01 0.4977000 
1 1 1   -6    6   24 o   9.8950   0.3063   9.4860   0.4208   10.300   0.4452 -0.8180000 0.6126000 
1 1 1   -6    6   25 o   8.8350   0.3342   8.9270   0.4425   8.7430   0.5009 0.1840000 0.6683000 
1 1 1   -6    6   26 o   12.190   0.2673   12.360   0.3543   12.030   0.4002 0.3305000 0.5345000 
1 1 1   -6    6   27 o   10.260   0.3044   10.340   0.3987   10.180   0.4601 0.1633000 0.6089000 
1 1 1   -6    6   28 o   7.0620   0.4152   7.2590   0.5320   6.8650   0.6376 0.3933000 0.8304000 
1 1 1   -6    6   29 o   9.2440   0.4238   9.3690   0.5249   9.1190   0.6655 0.2499000 0.8476000 
1 1 1   -6    6   30 o   3.7350   0.7744   4.3900   1.0690   3.0790   1.1210 1.311000 1.549000 
1 1 1   -6    6   31 o   3.9210   0.7503   3.4320   1.0780   4.4110   1.0440 -0.9790000 1.501000 
1 1 1   -6    6   32 o   2.2510   0.6882   2.6980   1.0690   1.8030   0.8663 0.8949000 1.376000 
1 1 1   -6    6   33 o   1.8410   0.6357   1.8680   0.9046   1.8150   0.8934 0.5246000E-01 1.271000 
1 1 1   -6    8    1 o   53.430   0.3165   53.590   0.4491   53.270   0.4462 0.3145000 0.6331000 
1 1 1   -6    8    2 o   42.750   0.2593   42.840   0.3675   42.660   0.3659 0.1779000 0.5186000 
1 1 1   -6    8    3 o   13.870   0.1638   13.450   0.2339   14.300   0.2295 -0.8409000 0.3277000 
1 1 1   -6    8    4 o   21.960   0.1881   22.560   0.2927   21.350   0.2364 1.215000 0.3762000 
1 1 1   -6    8    5 o   15.930   0.1992   16.040   0.2871   15.810   0.2761 0.2346000 0.3983000 
1 1 1   -6    8    6 o   16.690   0.1822   16.770   0.2336   16.610   0.2798 0.1536000 0.3645000 
1 1 1   -6    8    7 o   9.8510   0.2070   10.070   0.2853   9.6350   0.3000 0.4310000 0.4140000 
1 1 1   -6    8    8 o   3.0610   0.5258   2.0000   0.8133   4.1210   0.6666 -2.121000 1.052000 
1 1 1   -6    8    9 o   24.320   0.1856   24.070   0.2597   24.570   0.2652 -0.5010000 0.3712000 
1 1 1   -6    8   10 o   8.6080   0.2547   8.4440   0.3655   8.7720   0.3548 -0.3285000 0.5094000 
1 1 1   -6    8   11 o   43.520   0.2708   43.410   0.3827   43.630   0.3833 -0.2227000 0.5416000 
1 1 1   -6    8   12 o   32.820   0.2236   32.670   0.3176   32.960   0.3148 -0.2873000 0.4472000 
1 1 1   -6    8   13 f   25.450   0.2016   25.470   0.2880   25.440   0.2822 0.2730000E-01 0.4032000 
1 1 1   -6    8   14 o   59.800   0.3598   59.850   0.5100   59.760   0.5076 0.8663000E-01 0.7195000 
1 1 1   -6    8   15 o   19.460   0.2633   19.320   0.3736   19.590   0.3711 -0.2614000 0.5266000 
1 1 1   -6    8   16 o   23.890   0.3151   24.130   0.5029   23.640   0.3799 0.4880000 0.6303000 
1 1 1   -6    8   17 o   29.060   0.2571   29.090   0.3962   29.040   0.3278 0.5747000E-01 0.5143000 
1 1 1   -6    8   18 o   14.690   0.2786   15.120   0.3841   14.260   0.4038 0.8614000 0.5573000 
1 1 1   -6    8   19 o   33.660   0.2466   33.900   0.3512   33.430   0.3462 0.4762000 0.4932000 
1 1 1   -6    8   20 o   28.310   0.2560   27.830   0.3255   28.790   0.3951 -0.9550000 0.5119000 
1 1 1   -6    8   21 o   10.580   0.3976   11.320   0.5348   9.8480   0.5886 1.473000 0.7953000 
1 1 1   -6    8   22 o   13.270   0.2936   12.710   0.3972   13.820   0.4325 -1.110000 0.5872000 
1 1 1   -6    8   23 f   6.6250   0.4344   6.6360   0.5771   6.6150   0.6495 0.2091000E-01 0.8689000 
1 1 1   -6    8   24 o   9.5030   0.3231   9.3560   0.4341   9.6500   0.4786 -0.2936000 0.6461000 
1 1 1   -6    8   25 o   5.3760   0.5582   5.5870   0.7016   5.1650   0.8684 0.4215000 1.116000 
1 1 1   -6    8   26 o   4.2410   0.6719   4.3850   0.8873   4.0980   1.0090 0.2864000 1.344000 
1 1 1   -6    8   27 o   5.3410   0.5584   5.8100   0.6785   4.8710   0.8871 0.9390000 1.117000 
1 1 1   -6    8   28 o   6.9840   0.4256   6.7230   0.6003   7.2450   0.6036 -0.5222000 0.8513000 
1 1 1   -6    8   29 o   2.6670   1.1340   2.6670   1.1340  ?   ?       ?      ? 
1 1 1   -6    8   30 o   3.3960   0.7713   3.8150   1.0460   2.9770   1.1340 0.8383000 1.543000 
1 1 1   -6    8   31 o   2.2540   0.7052   2.1640   0.9625   2.3430   1.0310 -0.1797000 1.410000 
1 1 1   -6    8   32 o   2.8720   0.7469   3.4840   1.0970   2.2600   1.0140 1.224000 1.494000 
1 1 1   -6    8   33 o   2.0140   0.6951   2.2250   1.0490   1.8020   0.9126 0.4230000 1.390000 
1 1 1   -6   10    1 o   21.850   0.1537   21.900   0.2166   21.800   0.2181 0.9921000E-01 0.3074000 
1 1 1   -6   10    2 o   19.020   0.1506   18.830   0.2123   19.200   0.2136 -0.3698000 0.3011000 
1 1 1   -6   10    3 o   33.830   0.1913   33.570   0.2690   34.080   0.2721 -0.5080000 0.3826000 
1 1 1   -6   10    4 o   18.050   0.1637   17.910   0.2452   18.200   0.2171 -0.2926000 0.3275000 
1 1 1   -6   10    5 o   26.460   0.1800   26.240   0.2709   26.690   0.2369 -0.4551000 0.3599000 
1 1 1   -6   10    6 o   23.070   0.1746   23.250   0.2660   22.890   0.2263 0.3567000 0.3493000 
1 1 1   -6   10    7 o   9.9250   0.2348   9.9100   0.3329   9.9390   0.3312 -0.2914000E-01 0.4696000 
1 1 1   -6   10    8 o   49.950   0.3045   50.200   0.4326   49.690   0.4287 0.5051000 0.6090000 
1 1 1   -6   10    9 o   28.110   0.2050   27.990   0.2894   28.230   0.2904 -0.2387000 0.4100000 
1 1 1   -6   10   10 o   8.2130   0.3049   8.3250   0.4133   8.1000   0.4484 0.2251000 0.6098000 
1 1 1   -6   10   11 o   14.220   0.2148   13.620   0.3072   14.830   0.3002 -1.211000 0.4295000 
1 1 1   -6   10   12 o   25.940   0.2079   26.090   0.2953   25.800   0.2928 0.2883000 0.4158000 
1 1 1   -6   10   13 o   33.190   0.2828   33.510   0.4015   32.860   0.3984 0.6424000 0.5656000 
1 1 1   -6   10   14 f   25.920   0.3803  ?   ?    25.920   0.3803      ?      ? 
1 1 1   -6   10   15 o   29.080   0.2505   29.130   0.3863   29.030   0.3192 0.1059000 0.5011000 
1 1 1   -6   10   16 f   35.000   0.2768   35.000   0.4267   34.990   0.3527 0.1259000E-01 0.5536000 
1 1 1   -6   10   17 o   9.3950   0.3907   9.3440   0.5757   9.4460   0.5283 -0.1020000 0.7814000 
1 1 1   -6   10   18 o   12.560   0.2934   12.540   0.4211   12.570   0.4086 -0.2353000E-01 0.5867000 
1 1 1   -6   10   19 o   7.7730   0.5391   7.1730   0.8417   8.3720   0.6738 -1.199000 1.078000 
1 1 1   -6   10   20 o   15.330   0.4508   15.330   0.4508  ?   ?       ?      ? 
1 1 1   -6   10   21 o   5.9890   0.5850   6.0840   0.7400   5.8940   0.9063 0.1897000 1.170000 
1 1 1   -6   10   22 o   16.440   0.2684   16.570   0.3466   16.300   0.4100 0.2748000 0.5369000 
1 1 1   -6   10   23 o   15.090   0.2540   14.980   0.3646   15.190   0.3536 -0.2144000 0.5079000 
1 1 1   -6   10   24 o   2.3910   0.7062   1.9930   0.9181   2.7880   1.0730 -0.7943000 1.412000 
1 1 1   -6   10   25 o   9.2490   0.3608   9.2380   0.5016   9.2590   0.5186 -0.2076000E-01 0.7215000 
1 1 1   -6   10   26 o   11.640   0.3028   11.790   0.4212   11.490   0.4352 0.3034000 0.6057000 
1 1 1   -6   10   27 o   9.3270   0.3432   9.7490   0.4304   8.9050   0.5348 0.8446000 0.6865000 
1 1 1   -6   10   28 o   11.650   0.3716   11.810   0.4608   11.490   0.5831 0.3172000 0.7432000 
1 1 1   -6   10   29 o   5.9760   0.6058   6.4920   0.7640   5.4600   0.9405 1.032000 1.212000 
1 1 1   -6   10   30 o   5.3550   0.6243   5.4940   0.7858   5.2160   0.9704 0.2781000 1.249000 
1 1 1   -6   10   31 o   2.1430   0.6796   2.3490   1.0030   1.9370   0.9172 0.4114000 1.359000 
1 1 1   -6   10   32 o   4.1370   0.8391   4.8640   1.1010   3.4090   1.2660 1.455000 1.678000 
1 1 1   -6   12    1 o   2.2450   0.6035   2.4420   0.8690   2.0470   0.8378 0.3952000 1.207000 
1 1 1   -6   12    2 o   21.920   0.1650   21.900   0.2323   21.930   0.2343 -0.2892000E-01 0.3300000 
1 1 1   -6   12    3 o   41.220   0.2621   41.090   0.3694   41.360   0.3720 -0.2699000 0.5243000 
1 1 1   -6   12    4 o   55.860   0.2916   55.540   0.4102   56.170   0.4146 -0.6340000 0.5833000 
1 1 1   -6   12    5 o   25.860   0.1878   26.040   0.2847   25.670   0.2449 0.3678000 0.3756000 
1 1 1   -6   12    6 o   37.580   0.2298   37.780   0.3488   37.390   0.2991 0.3837000 0.4595000 
1 1 1   -6   12    7 o   46.700   0.2713   46.530   0.4094   46.860   0.3562 -0.3254000 0.5427000 
1 1 1   -6   12    8 o   25.650   0.2308   26.150   0.3614   25.160   0.2871 0.9890000 0.4615000 
1 1 1   -6   12    9 o   21.770   0.2017   21.710   0.2835   21.820   0.2871 -0.1060000 0.4035000 
1 1 1   -6   12   10 o   19.250   0.2106   19.590   0.2933   18.920   0.3022 0.6737000 0.4211000 
1 1 1   -6   12   11 o   34.620   0.2979   34.630   0.4178   34.610   0.4248 0.1835000E-01 0.5958000 
1 1 1   -6   12   12 o   9.7850   0.4225   9.7210   0.5667   9.8500   0.6268 -0.1285000 0.8450000 
1 1 1   -6   12   13 o   31.490   0.2598   30.960   0.3974   32.020   0.3347 -1.061000 0.5196000 
1 1 1   -6   12   14 o   29.950   0.2585   29.690   0.3970   30.200   0.3313 -0.5022000 0.5171000 
1 1 1   -6   12   15 o   26.510   0.2316   26.570   0.3300   26.450   0.3251 0.1210000 0.4632000 
1 1 1   -6   12   16 o   30.100   0.2383   29.790   0.3374   30.410   0.3366 -0.6253000 0.4766000 
1 1 1   -6   12   17 o   17.840   0.2396   17.880   0.3373   17.790   0.3404 0.8488000E-01 0.4792000 
1 1 1   -6   12   18 o   12.240   0.3643   11.980   0.5358   12.510   0.4937 -0.5274000 0.7286000 
1 1 1   -6   12   19 o   5.5660   0.6623   4.8490   0.9782   6.2830   0.8932 -1.433000 1.325000 
1 1 1   -6   12   20 o   25.000   0.2352   25.070   0.3314   24.930   0.3339 0.1328000 0.4704000 
1 1 1   -6   12   21 o   17.660   0.2425   17.570   0.3464   17.750   0.3393 -0.1818000 0.4849000 
1 1 1   -6   12   22 o   17.380   0.2461   17.730   0.3505   17.040   0.3456 0.6874000 0.4922000 
1 1 1   -6   12   23 o   3.2180   0.7872   3.1950   1.1180   3.2410   1.1080 -0.4630000E-01 1.574000 
1 1 1   -6   12   24 o   9.6090   0.3560   9.2220   0.5291   9.9950   0.4763 -0.7730000 0.7119000 
1 1 1   -6   12   25 o   6.5170   0.5004   5.9870   0.7670   7.0480   0.6430 -1.061000 1.001000 
1 1 1   -6   12   26 o   8.8140   0.3789   8.5610   0.5570   9.0660   0.5137 -0.5041000 0.7577000 
1 1 1   -6   12   27 o   9.5910   0.4627   9.3800   0.6561   9.8020   0.6527 -0.4227000 0.9255000 
1 1 1   -6   12   28 o   7.2930   0.5278   6.8580   0.8373   7.7280   0.6429 -0.8707000 1.056000 
1 1 1   -6   12   29 o   2.6530   0.7694   2.7740   1.1100   2.5320   1.0660 0.2419000 1.539000 
1 1 1   -6   12   30 o   1.9770   0.6480   2.0030   0.9145   1.9510   0.9182 0.5116000E-01 1.296000 
1 1 1   -6   12   31 o   1.8110   0.6239   2.0310   0.9586   1.5910   0.7987 0.4402000 1.248000 
1 1 1   -6   14    1 o   16.180   0.1821   16.080   0.2581   16.280   0.2570 -0.1984000 0.3643000 
1 1 1   -6   14    2 f   12.150   0.2085   11.900   0.2973   12.410   0.2925 -0.5138000 0.4170000 
1 1 1   -6   14    3 o   3.4430   0.6305   3.6540   0.8545   3.2310   0.9272 0.4235000 1.261000 
1 1 1   -6   14    4 f   9.4190   0.2546   9.7100   0.3447   9.1280   0.3749 0.5812000 0.5093000 
1 1 1   -6   14    5 o   19.080   0.1941   19.340   0.2928   18.830   0.2548 0.5052000 0.3881000 
1 1 1   -6   14    6 o   21.830   0.1957   21.780   0.2960   21.870   0.2560 -0.9562000E-01 0.3913000 
1 1 1   -6   14    7 o   5.8870   0.5482   5.6060   0.8629   6.1690   0.6764 -0.5631000 1.096000 
1 1 1   -6   14    8 o   64.490   0.4345   64.710   0.6752   64.270   0.5470 0.4312000 0.8690000 
1 1 1   -6   14    9 o   12.850   0.3263   12.700   0.4523   13.000   0.4704 -0.3012000 0.6526000 
1 1 1   -6   14   10 o   13.400   0.2763   13.370   0.4205   13.430   0.3586 -0.6270000E-01 0.5527000 
1 1 1   -6   14   11 o   42.430   0.3116   42.240   0.4798   42.620   0.3976 -0.3802000 0.6231000 
1 1 1   -6   14   12 o   33.480   0.2480   33.850   0.3523   33.120   0.3493 0.7298000 0.4961000 
1 1 1   -6   14   13 o   16.290   0.2623   16.210   0.3709   16.370   0.3712 -0.1676000 0.5247000 
1 1 1   -6   14   14 o   6.2080   0.5628   6.2820   0.7784   6.1340   0.8130 0.1487000 1.126000 
1 1 1   -6   14   15 o   47.700   0.3079   47.470   0.4346   47.930   0.4363 -0.4577000 0.6159000 
1 1 1   -6   14   16 o   9.9520   0.4412  10.0000   0.6479   9.9010   0.5991 0.1036000 0.8824000 
1 1 1   -6   14   17 o   8.1080   0.5162   8.9970   0.5280   7.2190   0.8871 1.778000 1.032000 
1 1 1   -6   14   18 o   13.160   0.3162   12.940   0.4048   13.380   0.4859 -0.4388000 0.6325000 
1 1 1   -6   14   19 o   5.9020   0.5664   5.0590   0.8955   6.7450   0.6937 -1.687000 1.133000 
1 1 1   -6   14   20 o   9.2390   0.3680   9.2190   0.5216   9.2580   0.5192 -0.3924000E-01 0.7360000 
1 1 1   -6   14   21 o   4.0850   0.7321   4.7030   0.9568   3.4670   1.1080 1.236000 1.464000 
1 1 1   -6   14   22 o   12.380   0.2870   12.080   0.4121   12.670   0.3996 -0.5874000 0.5740000 
1 1 1   -6   14   23 o   3.9180   0.7665   4.1210   1.0640   3.7150   1.1040 0.4053000 1.533000 
1 1 1   -6   14   24 o   8.3620   0.3974   8.6330   0.5561   8.0920   0.5677 0.5411000 0.7947000 
1 1 1   -6   14   25 o   9.2660   0.4857   9.4120   0.6700   9.1200   0.7033 0.2915000 0.9713000 
1 1 1   -6   14   26 o   7.6650   0.4686   7.4750   0.7053   7.8560   0.6173 -0.3802000 0.9373000 
1 1 1   -6   14   27 f   3.0630   0.8276   3.2520   1.2200   2.8730   1.1180 0.3790000 1.655000 
1 1 1   -6   14   28 o   2.3660   0.7185   1.8730   0.8997   2.8580   1.1200 -0.9849000 1.437000 
1 1 1   -6   14   29 o   2.3710   0.7382   2.3070   1.0370   2.4340   1.0510 -0.1265000 1.476000 
1 1 1   -6   14   30 o   1.9770   0.6803   1.8350   0.9164   2.1190   1.0060 -0.2844000 1.361000 
1 1 1   -6   16    1 o   31.710   0.2598   32.170   0.4014   31.260   0.3301 0.9122000 0.5197000 
1 1 1   -6   16    2 o   16.050   0.2319   15.900   0.3229   16.200   0.3329 -0.2996000 0.4637000 
1 1 1   -6   16    3 o   25.460   0.2716   24.790   0.3860   26.140   0.3821 -1.342000 0.5432000 
1 1 1   -6   16    4 o   30.490   0.2310   30.550   0.3256   30.430   0.3278 0.1172000 0.4620000 
1 1 1   -6   16    5 o   30.700   0.2603   30.930   0.4038   30.470   0.3287 0.4651000 0.5206000 
1 1 1   -6   16    6 o   9.3730   0.3830   9.5100   0.5849   9.2360   0.4946 0.2742000 0.7660000 
1 1 1   -6   16    7 o   16.910   0.3012   16.400   0.4278   17.430   0.4240 -1.025000 0.6024000 
1 1 1   -6   16    8 o   18.420   0.2287   18.210   0.3478   18.630   0.2970 -0.4149000 0.4574000 
1 1 1   -6   16    9 o   5.9700   0.5429   6.5030   0.7463   5.4380   0.7887 1.066000 1.086000 
1 1 1   -6   16   10 o   22.070   0.2179   22.190   0.3270   21.960   0.2880 0.2295000 0.4357000 
1 1 1   -6   16   11 o   8.2920   0.4142   8.9420   0.5471   7.6420   0.6221 1.300000 0.8284000 
1 1 1   -6   16   12 o   8.7310   0.3929   8.9730   0.5452   8.4890   0.5659 0.4846000 0.7858000 
1 1 1   -6   16   13 f   17.600   0.3072   17.500   0.4462   17.700   0.4223 -0.2001000 0.6144000 
1 1 1   -6   16   14 o   18.670   0.3057   19.090   0.4290   18.250   0.4356 0.8420000 0.6114000 
1 1 1   -6   16   15 o   18.910   0.2678   18.740   0.3415   19.070   0.4127 -0.3255000 0.5357000 
1 1 1   -6   16   16 o   11.020   0.3567   11.080   0.4599   10.970   0.5453 0.1074000 0.7134000 
1 1 1   -6   16   17 o   13.390   0.2853   12.970   0.4174   13.820   0.3891 -0.8529000 0.5706000 
1 1 1   -6   16   18 o   13.170   0.2839   12.760   0.4101   13.580   0.3926 -0.8266000 0.5678000 
1 1 1   -6   16   19 o   6.7990   0.4902   6.3080   0.7327   7.2900   0.6513 -0.9827000 0.9803000 
1 1 1   -6   16   20 o   5.3460   0.6178   5.1150   0.9008   5.5760   0.8459 -0.4611000 1.236000 
1 1 1   -6   16   21 o   6.9080   0.4724   7.0450   0.6485   6.7710   0.6871 0.2737000 0.9448000 
1 1 1   -6   16   22 o   6.9750   0.4645   6.8730   0.6783   7.0770   0.6348 -0.2040000 0.9290000 
1 1 1   -6   16   23 o   6.5340   0.5023   6.5510   0.7090   6.5160   0.7116 0.3516000E-01 1.005000 
1 1 1   -6   16   24 o   3.6970   0.9015   3.6690   1.2620   3.7260   1.2880 -0.5677000E-01 1.803000 
1 1 1   -6   16   25 f   3.2260   0.8184   2.8560   1.1800   3.5970   1.1350 -0.7412000 1.637000 
1 1 1   -6   16   26 o   3.9610   0.8025   5.0430   1.1440   2.8790   1.1250 2.165000 1.605000 
1 1 1   -6   16   27 o   9.7120   0.3919   9.9090   0.5566   9.5150   0.5520 0.3937000 0.7839000 
1 1 1   -6   16   28 o   2.4980   0.7593   2.5870   1.0980   2.4090   1.0500 0.1782000 1.519000 
1 1 1   -6   16   29 o   2.5460   0.7873   2.0830   1.0080   3.0080   1.2100 -0.9250000 1.575000 
1 1 1   -6   18    1 o   13.960   0.2576   14.150   0.3349   13.770   0.3915 0.3756000 0.5152000 
1 1 1   -6   18    2 o   22.310   0.2009   22.350   0.2833   22.270   0.2850 0.7839000E-01 0.4018000 
1 1 1   -6   18    3 o   29.500   0.2625   29.100   0.4008   29.900   0.3392 -0.8010000 0.5251000 
1 1 1   -6   18    4 o   27.040   0.2020   27.150   0.2851   26.920   0.2863 0.2259000 0.4041000 
1 1 1   -6   18    5 o   24.830   0.2008   24.970   0.2816   24.680   0.2863 0.2937000 0.4015000 
1 1 1   -6   18    6 o   29.420   0.2244   29.290   0.3382   29.540   0.2950 -0.2511000 0.4488000 
1 1 1   -6   18    7 o   28.020   0.2238   27.940   0.3393   28.100   0.2918 -0.1565000 0.4475000 
1 1 1   -6   18    8 o   10.970   0.3162   11.170   0.4732   10.770   0.4195 0.3988000 0.6324000 
1 1 1   -6   18    9 o   2.5560   0.7844   2.5670   1.1460   2.5450   1.0710 0.2234000E-01 1.569000 
1 1 1   -6   18   10 o   27.920   0.2700   27.920   0.4207   27.920   0.3385 0.2279000E-02 0.5400000 
1 1 1   -6   18   11 o   6.4530   0.4995   7.2170   0.6656   5.6890   0.7448 1.529000 0.9989000 
1 1 1   -6   18   12 o   31.040   0.2450   31.210   0.3472   30.870   0.3457 0.3373000 0.4899000 
1 1 1   -6   18   13 o   18.560   0.2700   18.690   0.3489   18.430   0.4121 0.2542000 0.5400000 
1 1 1   -6   18   14 o   17.660   0.2467   17.980   0.3461   17.340   0.3516 0.6391000 0.4934000 
1 1 1   -6   18   15 o   6.3550   0.5424   6.0000   0.7793   6.7100   0.7546 -0.7102000 1.085000 
1 1 1   -6   18   16 o   9.5660   0.3748   9.4970   0.5182   9.6350   0.5417 -0.1381000 0.7496000 
1 1 1   -6   18   17 o   15.020   0.2753   15.250   0.3765   14.790   0.4018 0.4592000 0.5506000 
1 1 1   -6   18   18 o   13.840   0.2819   13.400   0.4016   14.280   0.3957 -0.8755000 0.5638000 
1 1 1   -6   18   19 o   3.0050   0.7782   2.8020   1.0800   3.2080   1.1210 -0.4060000 1.556000 
1 1 1   -6   18   20 o   2.6340   0.7570   2.4380   1.0370   2.8300   1.1030 -0.3920000 1.514000 
1 1 1   -6   18   21 o   8.2570   0.4197   9.1390   0.5272   7.3750   0.6532 1.764000 0.8395000 
1 1 1   -6   18   22 o   6.9460   0.6311   6.6810   0.8882   7.2110   0.8968 -0.5293000 1.262000 
1 1 1   -6   18   23 o   5.5830   0.6175   5.7020   0.8641   5.4640   0.8822 0.2377000 1.235000 
1 1 1   -6   18   24 o   8.2380   0.4719   8.3550   0.7129   8.1210   0.6185 0.2343000 0.9438000 
1 1 1   -6   18   25 o   3.9360   0.8041   4.3190   1.1240   3.5540   1.1500 0.7655000 1.608000 
1 1 1   -6   18   26 o   1.8050   0.6146   1.9110   0.9075   1.6980   0.8291 0.2130000 1.229000 
1 1 1   -6   18   27 o   5.0260   0.8794   5.5360   1.2330   4.5160   1.2540 1.020000 1.759000 
1 1 1   -6   18   28 o   2.1820   0.7051   1.9530   0.9322   2.4110   1.0580 -0.4589000 1.410000 
1 1 1   -6   20    1 o   13.680   0.2898   13.720   0.4183   13.650   0.4012 0.6822000E-01 0.5796000 
1 1 1   -6   20    2 o   7.7550   0.4476   7.3790   0.6615   8.1310   0.6031 -0.7521000 0.8951000 
1 1 1   -6   20    3 o   20.330   0.2364   20.400   0.3340   20.250   0.3345 0.1412000 0.4727000 
1 1 1   -6   20    4 f   25.600   0.2359   25.470   0.3332   25.740   0.3340 -0.2761000 0.4718000 
1 1 1   -6   20    5 o   3.3470   0.7495   3.5040   1.0440   3.1890   1.0750 0.3151000 1.499000 
1 1 1   -6   20    6 o   2.7010   0.7527   2.1550   0.9742   3.2460   1.1480 -1.090000 1.505000 
1 1 1   -6   20    7 o   24.120   0.2364   23.710   0.3339   24.530   0.3348 -0.8213000 0.4729000 
1 1 1   -6   20    8 o   16.770   0.2569   16.540   0.3708   17.000   0.3556 -0.4633000 0.5137000 
1 1 1   -6   20    9 o   14.210   0.2771   14.330   0.3914   14.080   0.3924 0.2489000 0.5543000 
1 1 1   -6   20   10 o   6.2010   0.5091   6.6160   0.7196   5.7860   0.7205 0.8298000 1.018000 
1 1 1   -6   20   11 o   4.9350   0.6342   5.6110   0.8336   4.2590   0.9561 1.353000 1.268000 
1 1 1   -6   20   12 o   8.9530   0.3613   8.7040   0.5514   9.2020   0.4671 -0.4973000 0.7227000 
1 1 1   -6   20   13 o   14.630   0.2550   14.980   0.3800   14.290   0.3400 0.6869000 0.5099000 
1 1 1   -6   20   14 o   20.690   0.2253   20.470   0.3396   20.900   0.2961 -0.4296000 0.4506000 
1 1 1   -6   20   15 o   3.2980   0.7727   2.7990   1.0890   3.7970   1.0960 -0.9976000 1.545000 
1 1 1   -6   20   16 o   9.4010   0.3770   9.2080   0.5295   9.5940   0.5369 -0.3868000 0.7541000 
1 1 1   -6   20   17 o   6.3420   0.5674   6.9270   0.6839   5.7580   0.9057 1.169000 1.135000 
1 1 1   -6   20   18 o   13.240   0.2983   13.560   0.4038   12.920   0.4391 0.6387000 0.5966000 
1 1 1   -6   20   19 o   7.4430   0.6001   7.7750   0.6394   7.1110   1.0160 0.6640000 1.200000 
1 1 1   -6   20   20 o   9.2180   0.5177   9.8380   0.6414   8.5970   0.8127 1.241000 1.035000 
1 1 1   -6   20   21 o   9.8900   0.3748   9.4710   0.5419   10.310   0.5179 -0.8392000 0.7495000 
1 1 1   -6   20   22 o   5.6380   0.7087   4.5990   1.1950   6.6770   0.7616 -2.078000 1.417000 
1 1 1   -6   20   23 o   10.700   0.3644   10.500   0.5206   10.900   0.5100 -0.3978000 0.7288000 
1 1 1   -6   20   24 o   3.7590   0.7556   4.8550   1.0310   2.6620   1.1040 2.193000 1.511000 
1 1 1   -6   20   25 o   2.7180   0.8379   2.9150   1.2390   2.5210   1.1280 0.3944000 1.676000 
1 1 1   -6   20   26 o   3.9970   0.8056   3.4240   1.1880   4.5700   1.0890 -1.146000 1.611000 
1 1 1   -6   22    1 o   10.680   0.2999   10.910   0.4142   10.450   0.4337 0.4579000 0.5997000 
1 1 1   -6   22    2 o   9.2190   0.3316   8.9990   0.4736   9.4400   0.4642 -0.4414000 0.6632000 
1 1 1   -6   22    3 o   9.9040   0.3147   9.9650   0.4368   9.8430   0.4530 0.1225000 0.6293000 
1 1 1   -6   22    4 o   19.500   0.2140   19.610   0.2987   19.390   0.3064 0.2257000 0.4279000 
1 1 1   -6   22    5 o   4.0200   0.7131   4.0850   0.9939   3.9550   1.0230 0.1303000 1.426000 
1 1 1   -6   22    6 o   16.720   0.2438   16.470   0.3719   16.970   0.3153 -0.4995000 0.4875000 
1 1 1   -6   22    7 o   3.4580   0.7388   4.3710   1.0710   2.5450   1.0180 1.826000 1.478000 
1 1 1   -6   22    8 o   7.8610   0.4143   7.9930   0.6227   7.7290   0.5467 0.2638000 0.8286000 
1 1 1   -6   22    9 o   4.6440   0.6764   4.2240   1.0770   5.0650   0.8185 -0.8411000 1.353000 
1 1 1   -6   22   10 o   3.7170   0.7401   4.3580   1.0390   3.0770   1.0540 1.281000 1.480000 
1 1 1   -6   22   11 o   3.6870   0.7428   4.1550   1.0540   3.2190   1.0470 0.9358000 1.486000 
1 1 1   -6   22   12 o   9.0740   0.3565   8.8970   0.5474   9.2510   0.4568 -0.3537000 0.7129000 
1 1 1   -6   22   13 o   6.2620   0.5061   5.7400   0.8133   6.7850   0.6024 -1.045000 1.012000 
1 1 1   -6   22   14 o   11.430   0.3030   11.460   0.4588   11.400   0.3960 0.5778000E-01 0.6060000 
1 1 1   -6   22   15 o   6.3950   0.4869   6.4200   0.7235   6.3710   0.6516 0.4861000E-01 0.9737000 
1 1 1   -6   22   16 o   9.9880   0.3664   10.240   0.4955   9.7360   0.5400 0.5045000 0.7328000 
1 1 1   -6   22   17 o   6.5090   0.7043   6.7210   0.8585   6.2960   1.1170 0.4259000 1.409000 
1 1 1   -6   22   18 o   3.0180   0.7683   3.6040   1.1220   2.4330   1.0500 1.171000 1.537000 
1 1 1   -6   22   19 o   2.9830   0.8040   2.5160   1.0980   3.4490   1.1750 -0.9332000 1.608000 
1 1 1   -6   22   20 o   8.3840   0.4939   7.5480   0.7997   9.2190   0.5798 -1.671000 0.9877000 
1 1 1   -6   22   21 o   3.0980   0.8107   2.6890   1.1090   3.5070   1.1830 -0.8182000 1.621000 
1 1 1   -6   22   22 o   2.5930   0.7814   2.5540   1.0920   2.6320   1.1180 -0.7838000E-01 1.563000 
1 1 1   -6   22   23 o   2.3110   0.7650   2.2730   1.0730   2.3490   1.0900 -0.7662000E-01 1.530000 
1 1 1   -6   22   24 o   2.7930   0.8071   2.6350   1.1060   2.9500   1.1760 -0.3140000 1.614000 
1 1 1   -6   24    1 o   7.6310   0.3876   7.6270   0.5394   7.6350   0.5567 -0.7931000E-02 0.7752000 
1 1 1   -6   24    2 o   16.290   0.2303   16.280   0.3240   16.300   0.3273 -0.2401000E-01 0.4605000 
1 1 1   -6   24    3 o   13.000   0.2577   13.260   0.3585   12.750   0.3704 0.5106000 0.5154000 
1 1 1   -6   24    4 o   6.7390   0.4378   7.0780   0.5810   6.4000   0.6552 0.6785000 0.8756000 
1 1 1   -6   24    5 o   6.0100   0.4980   5.3270   0.7744   6.6920   0.6264 -1.365000 0.9960000 
1 1 1   -6   24    6 o   5.1800   0.6149   6.0790   0.7642   4.2820   0.9636 1.798000 1.230000 
1 1 1   -6   24    7 o   8.1900   0.3986   8.1470   0.6081   8.2330   0.5155 -0.8573000E-01 0.7972000 
1 1 1   -6   24    8 o   3.5840   0.7447   4.3660   1.0680   2.8020   1.0380 1.565000 1.489000 
1 1 1   -6   24    9 o   2.3580   0.7126   2.6720   1.0910   2.0430   0.9173 0.6290000 1.425000 
1 1 1   -6   24   10 o   2.0020   0.6449   1.8640   0.8848   2.1390   0.9384 -0.2743000 1.290000 
1 1 1   -6   24   11 o   7.7150   0.4324   6.7000   0.7165   8.7290   0.4844 -2.029000 0.8649000 
1 1 1   -6   24   12 o   4.6770   0.7369   4.6460   1.0170   4.7070   1.0660 -0.6114000E-01 1.474000 
1 1 1   -6   24   13 o   2.0430   0.6784   1.9830   0.9484   2.1030   0.9702 -0.1207000 1.357000 
1 1 1   -6   24   14 o   12.130   0.3540   12.520   0.5291   11.740   0.4706 0.7839000 0.7081000 
1 1 1   -6   24   15 o   4.5320   0.7157   4.6400   1.0400   4.4250   0.9834 0.2153000 1.431000 
1 1 1   -6   24   16 o   3.4950   0.8534   3.7100   1.2550   3.2800   1.1560 0.4298000 1.707000 
1 1 1   -6   24   17 o   4.2490   0.8077   5.1440   1.1260   3.3540   1.1590 1.790000 1.615000 
1 1 1   -6   24   18 o   3.5440   0.7984   3.9000   1.1520   3.1870   1.1050 0.7125000 1.597000 
1 1 1   -6   24   19 o   2.4870   0.7545   2.5430   1.0740   2.4310   1.0600 0.1120000 1.509000 
1 1 1   -6   24   20 o   4.5030   0.9185   3.7550   1.3610   5.2500   1.2340 -1.495000 1.837000 
1 1 1   -6   24   21 o   2.8110   0.8503   3.0890   1.2680   2.5330   1.1330 0.5552000 1.701000 
1 1 1   -6   24   22 o   2.2030   0.7139   2.3260   1.0410   2.0810   0.9771 0.2446000 1.428000 
1 1 1   -6   26    1 o   4.2560   0.6826   4.3300   0.9435   4.1830   0.9868 0.1467000 1.365000 
1 1 1   -6   26    2 o   4.5220   0.6589   4.3430   0.9466   4.7000   0.9170 -0.3564000 1.318000 
1 1 1   -6   26    3 o   11.940   0.2758   11.850   0.3936   12.020   0.3865 -0.1748000 0.5516000 
1 1 1   -6   26    4 o   2.7860   0.7356   2.5430   1.0160   3.0290   1.0640 -0.4855000 1.471000 
1 1 1   -6   26    5 o   7.7400   0.4459   7.5070   0.6388   7.9720   0.6223 -0.4644000 0.8918000 
1 1 1   -6   26    6 o   11.190   0.3824   10.890   0.6050   11.490   0.4678 -0.6023000 0.7647000 
1 1 1   -6   26    7 o   11.610   0.3637   11.220   0.5773   12.010   0.4427 -0.7884000 0.7275000 
1 1 1   -6   26    8 f   8.5170   0.4663   8.2640   0.7362   8.7700   0.5726 -0.5060000 0.9327000 
1 1 1   -6   26    9 o   9.3450   0.3684   9.1070   0.5797   9.5830   0.4549 -0.4762000 0.7369000 
1 1 1   -6   26   10 o   6.1650   0.5766   7.1860   0.6684   5.1440   0.9398 2.041000 1.153000 
1 1 1   -6   26   11 o   2.5800   0.7617   2.1920   1.0210   2.9690   1.1310 -0.7775000 1.523000 
1 1 1   -6   26   12 o   8.2880   0.4842   7.8120   0.7740   8.7640   0.5820 -0.9515000 0.9684000 
1 1 1   -6   26   13 o   4.3520   0.7400   3.2830   1.2370   5.4210   0.8133 -2.139000 1.480000 
1 1 1   -6   26   14 o   4.0840   0.7228   5.2930   0.9698   2.8750   1.0720 2.418000 1.446000 
1 1 1   -6   26   15 o   5.0140   0.6792   5.3870   0.9649   4.6400   0.9563 0.7474000 1.358000 
1 1 1   -6   26   16 o   2.1330   0.6754   1.8330   0.8807   2.4320   1.0240 -0.5983000 1.351000 
1 1 1   -6   26   17 o   2.3340   0.7536   2.7350   1.1940   1.9320   0.9191 0.8035000 1.507000 
1 1 1   -6   26   18 o   3.7420   0.9065   3.6410   1.3400   3.8430   1.2210 -0.2022000 1.813000 
1 1 1   -6   26   19 o   2.0850   0.6767   1.9350   0.9150   2.2360   0.9971 -0.3011000 1.353000 
1 1 1   -6   28    1 o   4.0830   0.7424   3.5950   1.1450   4.5720   0.9452 -0.9765000 1.485000 
1 1 1   -6   28    2 o   3.8150   0.7445   3.2450   1.1310   4.3840   0.9684 -1.139000 1.489000 
1 1 1   -6   28    3 o   2.4700   0.7262   2.2620   1.0050   2.6790   1.0480 -0.4173000 1.452000 
1 1 1   -6   28    4 o   8.4010   0.3749   7.8120   0.5690   8.9900   0.4884 -1.178000 0.7498000 
1 1 1   -6   28    5 o   4.7920   0.6326   3.9110   1.0240   5.6730   0.7427 -1.762000 1.265000 
1 1 1   -6   28    6 o   2.8010   0.7735   2.7140   1.1100   2.8890   1.0780 -0.1743000 1.547000 
1 1 1   -6   28    7 o   6.9210   0.5334   6.8480   0.7511   6.9930   0.7577 -0.1456000 1.067000 
1 1 1   -6   28    8 o   7.4270   0.4655   7.5640   0.7055   7.2900   0.6075 0.2745000 0.9310000 
1 1 1   -6   28    9 o   3.6280   0.8012   4.0260   1.1700   3.2310   1.0950 0.7947000 1.602000 
1 1 1   -6   28   10 o   3.4210   0.7681   4.3260   1.1380   2.5170   1.0320 1.809000 1.536000 
1 1 1   -6   28   11 o   6.7720   0.4964   7.4050   0.6887   6.1380   0.7152 1.267000 0.9929000 
1 1 1   -6   28   12 o   2.7060   0.8151   2.6810   1.1870   2.7310   1.1170 -0.5052000E-01 1.630000 
1 1 1   -6   28   13 o   2.2140   0.7345   2.6920   1.1840   1.7370   0.8690 0.9559000 1.469000 
1 1 1   -6   28   14 o   3.1550   0.8072   2.4490   1.1140   3.8620   1.1690 -1.413000 1.614000 
1 1 1   -6   28   15 o   2.2000   0.6887   2.6440   1.0900   1.7550   0.8414 0.8898000 1.377000 
1 1 1   -6   30    1 o   5.2390   0.7367   5.5360   1.0250   4.9410   1.0590 0.5959000 1.473000 
1 1 1   -6   30    2 o   3.8670   0.8282   3.4600   1.2180   4.2740   1.1220 -0.8135000 1.656000 
1 1 1   -6   30    3 f   2.6840   0.7906   3.0340   1.1950   2.3340   1.0360 0.6994000 1.581000 
1 1 1   -6   30    4 o   3.4160   0.8488   3.6440   1.2220   3.1890   1.1790 0.4547000 1.698000 
1 1 1   -6   30    5 o   5.6500   0.6681   5.8490   0.9264   5.4520   0.9629 0.3965000 1.336000 
1 1 1   -6   30    6 o   2.1070   0.7051   2.1270   1.0220   2.0860   0.9719 0.4086000E-01 1.410000 
1 1 1   -6   30    7 o   2.5250   0.7830   2.2980   1.0890   2.7530   1.1260 -0.4549000 1.566000 
1 1 1   -6   30    8 o   3.7270   0.7891   3.2000   1.1910   4.2540   1.0350 -1.054000 1.578000 
1 1 1   -6   30    9 o   2.0140   0.6629   2.2820   1.0280   1.7470   0.8373 0.5357000 1.326000 
1 1 1   -6   30   10 o   2.3970   0.7419   2.1960   1.0000   2.5970   1.0960 -0.4011000 1.484000 
1 1 1   -5    1    1 o   43.130   0.2324   43.100   0.3511   43.160   0.3044 -0.5944000E-01 0.4647000 
1 1 1   -5    1    2 o   37.030   0.2144   37.100   0.3037   36.960   0.3027 0.1404000 0.4287000 
1 1 1   -5    1    3 o   18.570   0.1160   18.460   0.1636   18.680   0.1644 -0.2274000 0.2319000 
1 1 1   -5    1    4 o   25.090   0.1421   25.040   0.1855   25.140   0.2152 -0.9312000E-01 0.2841000 
1 1 1   -5    1    5 o   29.500   0.2172   29.370   0.3056   29.620   0.3088 -0.2474000 0.4345000 
1 1 1   -5    1    6 o   52.690   0.2864   52.820   0.3759   52.560   0.4322 0.2561000 0.5728000 
1 1 1   -5    1    7 f   36.140   0.1877   36.250   0.2661   36.030   0.2649 0.2233000 0.3755000 
1 1 1   -5    1    8 o   41.390   0.2133   41.290   0.3010   41.490   0.3024 -0.2031000 0.4266000 
1 1 1   -5    1    9 o   33.170   0.1777   33.260   0.2518   33.080   0.2508 0.1805000 0.3554000 
1 1 1   -5    1   10 o   21.000   0.1908   21.010   0.2702   21.000   0.2696 0.1117000E-01 0.3817000 
1 1 1   -5    1   11 o   17.810   0.1321   17.790   0.1865   17.820   0.1871 -0.2441000E-01 0.2642000 
1 1 1   -5    1   12 o   19.400   0.1386   19.470   0.1958   19.330   0.1963 0.1421000 0.2772000 
1 1 1   -5    1   13 o   16.120   0.1428   16.090   0.2013   16.140   0.2025 -0.5345000E-01 0.2855000 
1 1 1   -5    1   14 o   24.300   0.1587   24.250   0.2243   24.340   0.2244 -0.8190000E-01 0.3173000 
1 1 1   -5    1   15 o   48.220   0.2541   48.310   0.3597   48.140   0.3591 0.1709000 0.5083000 
1 1 1   -5    1   16 o   27.270   0.1771   27.280   0.2506   27.270   0.2504 0.1023000E-01 0.3543000 
1 1 1   -5    1   17 o   39.550   0.2224   39.280   0.3128   39.820   0.3163 -0.5407000 0.4448000 
1 1 1   -5    1   18 o   56.240   0.4177   56.260   0.5903   56.230   0.5910 0.2640000E-01 0.8353000 
1 1 1   -5    1   19 o   19.580   0.2184   19.600   0.2863   19.570   0.3299 0.2588000E-01 0.4368000 
1 1 1   -5    1   20 o   14.310   0.2469   14.230   0.3449   14.390   0.3534 -0.1583000 0.4938000 
1 1 1   -5    1   21 o   34.880   0.2312   34.890   0.3024   34.870   0.3498 0.2432000E-01 0.4624000 
1 1 1   -5    1   22 o   14.010   0.2500   14.250   0.3210   13.770   0.3834 0.4794000 0.5001000 
1 1 1   -5    1   23 o   14.250   0.3800   14.180   0.4534   14.320   0.6098 -0.1415000 0.7599000 
1 1 1   -5    1   24 o   2.5310   0.7047   2.0090   0.8979   3.0520   1.0860 -1.044000 1.409000 
1 1 1   -5    1   25 o   18.980   0.2157   19.010   0.2834   18.960   0.3253 0.5447000E-01 0.4315000 
1 1 1   -5    1   26 o   12.200   0.2705   12.080   0.3637   12.330   0.4005 -0.2557000 0.5410000 
1 1 1   -5    1   27 o   2.2360   0.6858   2.2340   0.9515   2.2380   0.9878 -0.4309000E-02 1.372000 
1 1 1   -5    1   28 o   7.9120   0.3857   8.3390   0.4958   7.4840   0.5911 0.8546000 0.7715000 
1 1 1   -5    1   29 f   9.0420   0.3398   9.0410   0.4578   9.0440   0.5023 -0.2670000E-02 0.6797000 
1 1 1   -5    1   30 o   3.2660   0.8682   3.3870   1.2380   3.1450   1.2180 0.2417000 1.736000 
1 1 1   -5    1   31 o   10.490   0.3241   10.730   0.4153   10.250   0.4978 0.4832000 0.6483000 
1 1 1   -5    1   32 o   2.7810   0.7656   3.2020   1.1350   2.3610   1.0280 0.8408000 1.531000 
1 1 1   -5    1   33 o   2.9210   0.7872   2.5100   1.0660   3.3320   1.1590 -0.8214000 1.574000 
1 1 1   -5    1   34 o   2.2630   0.7774   2.1460   1.0580   2.3800   1.1390 -0.2340000 1.555000 
1 1 1   -5    3    1 o   53.910   0.3117   53.980   0.4415   53.830   0.4401 0.1452000 0.6234000 
1 1 1   -5    3    2 o   23.880   0.1658   24.160   0.2589   23.600   0.2071 0.5609000 0.3316000 
1 1 1   -5    3    3 o   22.310   0.1748   22.290   0.2468   22.340   0.2477 -0.5380000E-01 0.3497000 
1 1 1   -5    3    4 o   21.740   0.1734   21.760   0.2454   21.720   0.2451 0.3924000E-01 0.3469000 
1 1 1   -5    3    5 f   34.120   0.2056   34.090   0.2906   34.160   0.2909 -0.6379000E-01 0.4111000 
1 1 1   -5    3    6 o   44.350   0.2619   44.070   0.3682   44.620   0.3726 -0.5489000 0.5238000 
1 1 1   -5    3    7 o   88.450   0.5097   88.260   0.7192   88.650   0.7225 -0.3882000 1.019000 
1 1 1   -5    3    8 o   68.890   0.4003   68.960   0.5665   68.820   0.5656 0.1373000 0.8005000 
1 1 1   -5    3    9 o   41.350   0.3064   41.270   0.4325   41.430   0.4343 -0.1625000 0.6129000 
1 1 1   -5    3   10 o   41.310   0.2801   41.320   0.3545   41.300   0.4336 0.2470000E-01 0.5601000 
1 1 1   -5    3   11 o   22.960   0.1695   23.010   0.2394   22.920   0.2399 0.8519000E-01 0.3389000 
1 1 1   -5    3   12 f   30.200   0.1871   29.940   0.2430   30.450   0.2846 -0.5164000 0.3742000 
1 1 1   -5    3   13 o   16.790   0.1602   16.940   0.2091   16.650   0.2429 0.2926000 0.3205000 
1 1 1   -5    3   14 f   39.070   0.2304   38.850   0.2999   39.280   0.3498 -0.4318000 0.4608000 
1 1 1   -5    3   15 o   17.080   0.1739   16.860   0.2271   17.300   0.2634 -0.4391000 0.3477000 
1 1 1   -5    3   16 o   43.230   0.2553   43.060   0.3331   43.400   0.3871 -0.3342000 0.5107000 
1 1 1   -5    3   17 o   38.630   0.2373   38.850   0.3116   38.420   0.3579 0.4284000 0.4745000 
1 1 1   -5    3   18 o   49.640   0.3777   49.280   0.5295   50.010   0.5387 -0.7255000 0.7553000 
1 1 1   -5    3   19 o   38.840   0.2475   38.490   0.3211   39.190   0.3767 -0.6905000 0.4950000 
1 1 1   -5    3   20 o   6.2280   0.5416   5.7240   0.7565   6.7330   0.7752 -1.009000 1.083000 
1 1 1   -5    3   21 o   19.950   0.2121   20.320   0.2734   19.570   0.3244 0.7441000 0.4243000 
1 1 1   -5    3   22 o   25.840   0.2484   26.010   0.3156   25.660   0.3838 0.3464000 0.4969000 
1 1 1   -5    3   23 o   14.490   0.2839   14.890   0.3521   14.080   0.4454 0.8123000 0.5678000 
1 1 1   -5    3   24 o   13.860   0.2422   13.800   0.3226   13.930   0.3614 -0.1347000 0.4844000 
1 1 1   -5    3   25 o   4.7020   0.6341   5.2420   0.7390   4.1620   1.0310 1.080000 1.268000 
1 1 1   -5    3   26 o   18.800   0.2175   18.750   0.2865   18.860   0.3274 -0.1056000 0.4351000 
1 1 1   -5    3   27 o   3.3040   0.7245   2.5720   0.9976   4.0360   1.0510 -1.464000 1.449000 
1 1 1   -5    3   28 o   8.3470   0.3658   8.0440   0.4937   8.6510   0.5400 -0.6070000 0.7317000 
1 1 1   -5    3   29 f   9.3610   0.3652   8.8410   0.5609   9.8810   0.4678 -1.039000 0.7304000 
1 1 1   -5    3   30 o   2.3740   1.0780   2.3740   1.0780  ?   ?       ?      ? 
1 1 1   -5    3   31 o   2.3370   0.7115   2.4660   1.0240   2.2080   0.9881 0.2581000 1.423000 
1 1 1   -5    3   32 o   5.6600   0.5970   6.1430   0.7011   5.1770   0.9665 0.9665000 1.194000 
1 1 1   -5    3   33 o   7.3040   0.4639   7.4410   0.6154   7.1660   0.6944 0.2751000 0.9279000 
1 1 1   -5    3   34 o   2.5530   0.8292   2.7760   1.2090   2.3300   1.1350 0.4461000 1.658000 
1 1 1   -5    5    1 o   75.660   0.3784   75.620   0.5349   75.710   0.5354 -0.8923000E-01 0.7568000 
1 1 1   -5    5    2 o   69.300   0.3473   69.370   0.4916   69.230   0.4907 0.1348000 0.6946000 
1 1 1   -5    5    3 o   89.210   0.4805   89.000   0.7252   89.420   0.6307 -0.4157000 0.9611000 
1 1 1   -5    5    4 o   41.000   0.2452   41.180   0.3481   40.830   0.3454 0.3516000 0.4903000 
1 1 1   -5    5    5 o   63.730   0.3709   63.860   0.5256   63.610   0.5234 0.2486000 0.7417000 
1 1 1   -5    5    6 o   26.150   0.1743   26.480   0.2482   25.810   0.2448 0.6737000 0.3486000 
1 1 1   -5    5    7 o   23.820   0.1672   23.700   0.2373   23.950   0.2357 -0.2461000 0.3345000 
1 1 1   -5    5    8 o   45.420   0.3351   46.020   0.4790   44.820   0.4689 1.198000 0.6703000 
1 1 1   -5    5    9 o   20.290   0.1789   19.890   0.2270   20.680   0.2765 -0.7899000 0.3577000 
1 1 1   -5    5   10 o   19.140   0.1798   19.280   0.2298   18.990   0.2765 0.2834000 0.3595000 
1 1 1   -5    5   11 o   46.160   0.2799   46.560   0.3987   45.760   0.3929 0.8009000 0.5598000 
1 1 1   -5    5   12 o   17.540   0.1962   17.920   0.3065   17.160   0.2451 0.7630000 0.3925000 
1 1 1   -5    5   13 o   26.480   0.1936   26.130   0.2730   26.820   0.2746 -0.6922000 0.3872000 
1 1 1   -5    5   14 o   23.850   0.1903   23.800   0.2707   23.900   0.2675 -0.9092000E-01 0.3806000 
1 1 1   -5    5   15 o   29.870   0.2157   29.770   0.3052   29.970   0.3049 -0.2030000 0.4314000 
1 1 1   -5    5   16 o   23.580   0.2126   23.620   0.3005   23.540   0.3008 0.8642000E-01 0.4252000 
1 1 1   -5    5   17 o   29.130   0.2481   29.100   0.3114   29.160   0.3864 -0.5857000E-01 0.4962000 
1 1 1   -5    5   18 o   14.480   0.2593   14.410   0.3564   14.560   0.3768 -0.1425000 0.5186000 
1 1 1   -5    5   19 o   7.9550   0.4426   8.1550   0.5550   7.7550   0.6895 0.3997000 0.8851000 
1 1 1   -5    5   20 o   21.460   0.2135   21.200   0.2777   21.710   0.3244 -0.5029000 0.4270000 
1 1 1   -5    5   21 o   38.090   0.2436   37.930   0.3176   38.240   0.3694 -0.3071000 0.4872000 
1 1 1   -5    5   22 o   6.2280   0.7873   7.0350   0.8153   5.4210   1.3470 1.615000 1.575000 
1 1 1   -5    5   23 o   12.690   0.2559   12.790   0.3339   12.600   0.3879 0.1921000 0.5118000 
1 1 1   -5    5   24 o   5.2310   0.5754   5.9980   0.6227   4.4640   0.9678 1.534000 1.151000 
1 1 1   -5    5   25 o   16.680   0.2256   16.650   0.2996   16.700   0.3374 -0.5340000E-01 0.4513000 
1 1 1   -5    5   26 o   7.7490   0.3882   7.9760   0.4941   7.5230   0.5989 0.4537000 0.7764000 
1 1 1   -5    5   27 o   3.1150   0.7580   3.1140   1.0450   3.1160   1.0980 -0.2015000E-02 1.516000 
1 1 1   -5    5   28 o   7.3680   0.4069   7.5110   0.5249   7.2250   0.6219 0.2867000 0.8138000 
1 1 1   -5    5   29 o   3.3140   0.7853   4.0140   1.0820   2.6140   1.1390 1.401000 1.571000 
1 1 1   -5    5   30 o   1.9820   0.6534   1.9710   0.9211   1.9930   0.9269 -0.2215000E-01 1.307000 
1 1 1   -5    5   31 o   7.7310   0.4298   7.9150   0.5478   7.5470   0.6625 0.3678000 0.8596000 
1 1 1   -5    5   32 o   2.0840   0.6738   1.7620   0.8414   2.4070   1.0530 -0.6450000 1.348000 
1 1 1   -5    5   33 o   3.8680   0.8220   2.7390   1.1480   4.9980   1.1770 -2.259000 1.644000 
1 1 1   -5    7    1 o   28.460   0.1610   28.520   0.2280   28.410   0.2273 0.1110000 0.3219000 
1 1 1   -5    7    2 o   21.750   0.1385   21.760   0.1959   21.740   0.1958 0.1733000E-01 0.2770000 
1 1 1   -5    7    3 o   69.920   0.3523   70.000   0.4985   69.850   0.4979 0.1433000 0.7046000 
1 1 1   -5    7    4 o   62.710   0.4105   62.710   0.6364   62.700   0.5188 0.1575000E-01 0.8210000 
1 1 1   -5    7    5 o   24.830   0.2134   24.780   0.3019   24.880   0.3016 -0.9739000E-01 0.4268000 
1 1 1   -5    7    6 o   58.290   0.5165   58.190   0.5948   58.400   0.8446 -0.2110000 1.033000 
1 1 1   -5    7    7 o   29.880   0.2198   30.060   0.2808   29.710   0.3382 0.3512000 0.4396000 
1 1 1   -5    7    8 o   29.940   0.2003   29.860   0.2818   30.030   0.2848 -0.1676000 0.4006000 
1 1 1   -5    7    9 o   32.690   0.2137   32.840   0.3029   32.550   0.3015 0.2923000 0.4274000 
1 1 1   -5    7   10 o   24.290   0.1847   24.390   0.2628   24.190   0.2596 0.1930000 0.3694000 
1 1 1   -5    7   11 o   11.760   0.2054   11.530   0.2956   11.980   0.2853 -0.4500000 0.4109000 
1 1 1   -5    7   12 o   21.310   0.1840   21.540   0.2617   21.080   0.2586 0.4576000 0.3679000 
1 1 1   -5    7   13 o   18.020   0.1897   17.900   0.2686   18.140   0.2679 -0.2402000 0.3794000 
1 1 1   -5    7   14 o   15.960   0.2317   16.590   0.2910   15.320   0.3606 1.263000 0.4634000 
1 1 1   -5    7   15 o   10.580   0.3277   10.480   0.4141   10.690   0.5080 -0.2049000 0.6554000 
1 1 1   -5    7   16 o   44.570   0.3490   44.090   0.4897   45.040   0.4972 -0.9522000 0.6979000 
1 1 1   -5    7   17 o   49.280   0.3447   49.520   0.5348   49.040   0.4350 0.4844000 0.6894000 
1 1 1   -5    7   18 o   14.800   0.2806   14.670   0.4016   14.930   0.3919 -0.2552000 0.5611000 
1 1 1   -5    7   19 o   8.0100   0.4506   7.7960   0.6618   8.2240   0.6115 -0.4281000 0.9011000 
1 1 1   -5    7   20 o   4.6950   0.7065   5.3770   0.8856   4.0120   1.1010 1.365000 1.413000 
1 1 1   -5    7   21 o   7.2260   0.4998   6.2490   0.7289   8.2020   0.6841 -1.954000 0.9996000 
1 1 1   -5    7   22 o   15.370   0.2717   15.180   0.3532   15.570   0.4130 -0.3953000 0.5434000 
1 1 1   -5    7   23 o   12.610   0.2610   11.890   0.3632   13.340   0.3748 -1.449000 0.5219000 
1 1 1   -5    7   24 o   2.7660   0.7237   2.4470   0.9769   3.0860   1.0680 -0.6387000 1.447000 
1 1 1   -5    7   25 o   20.430   0.2139   20.240   0.2824   20.620   0.3213 -0.3803000 0.4278000 
1 1 1   -5    7   26 o   5.9560   0.4916   6.2700   0.6140   5.6430   0.7680 0.6266000 0.9832000 
1 1 1   -5    7   27 o   4.8620   0.6036   5.2670   0.7536   4.4570   0.9431 0.8104000 1.207000 
1 1 1   -5    7   28 o   4.7360   0.6537   5.5250   0.7264   3.9460   1.0870 1.579000 1.307000 
1 1 1   -5    7   29 o   2.5470   0.7912   2.8270   1.1840   2.2680   1.0500 0.5596000 1.582000 
1 1 1   -5    7   30 o   2.3830   0.7235   2.2480   0.9768   2.5180   1.0680 -0.2698000 1.447000 
1 1 1   -5    7   31 o   2.7000   0.7631   2.4330   1.0150   2.9670   1.1390 -0.5345000 1.526000 
1 1 1   -5    7   32 o   3.9160   0.7955   3.7780   1.0900   4.0540   1.1590 -0.2764000 1.591000 
1 1 1   -5    7   33 o   2.3690   0.7966   2.1330   1.0190   2.6050   1.2250 -0.4723000 1.593000 
1 1 1   -5    9    1 o   24.700   0.1994   24.890   0.2560   24.510   0.3057 0.3767000 0.3987000 
1 1 1   -5    9    2 o   33.560   0.2164   33.760   0.3076   33.360   0.3044 0.4034000 0.4328000 
1 1 1   -5    9    3 o   26.040   0.1848   25.950   0.2613   26.130   0.2614 -0.1773000 0.3696000 
1 1 1   -5    9    4 o   29.270   0.1977   29.380   0.2804   29.160   0.2789 0.2262000 0.3955000 
1 1 1   -5    9    5 f   34.600   0.2083   34.110   0.3121   35.100   0.2760 -0.9843000 0.4167000 
1 1 1   -5    9    6 o   23.490   0.1804   23.290   0.2535   23.680   0.2568 -0.3839000 0.3608000 
1 1 1   -5    9    7 o   21.270   0.1783   21.540   0.2518   21.000   0.2526 0.5403000 0.3566000 
1 1 1   -5    9    8 f   21.330   0.1794   21.550   0.2551   21.110   0.2522 0.4409000 0.3588000 
1 1 1   -5    9    9 o   30.890   0.2129   30.470   0.2973   31.300   0.3050 -0.8281000 0.4259000 
1 1 1   -5    9   10 o   14.420   0.1968   14.440   0.2780   14.410   0.2785 0.2997000E-01 0.3935000 
1 1 1   -5    9   11 o   11.710   0.2242   11.860   0.3150   11.570   0.3191 0.2958000 0.4484000 
1 1 1   -5    9   12 o   24.620   0.1997   24.340   0.2806   24.900   0.2842 -0.5582000 0.3994000 
1 1 1   -5    9   13 o   10.470   0.2835   10.490   0.4033   10.440   0.3986 0.4251000E-01 0.5670000 
1 1 1   -5    9   14 o   7.4750   0.4025   7.2650   0.5928   7.6850   0.5445 -0.4194000 0.8049000 
1 1 1   -5    9   15 o   40.910   0.3315   41.100   0.4734   40.720   0.4642 0.3756000 0.6630000 
1 1 1   -5    9   16 o   8.0810   0.4361   8.4210   0.6347   7.7400   0.5981 0.6806000 0.8721000 
1 1 1   -5    9   17 o   14.540   0.2792   14.090   0.4053   14.980   0.3839 -0.8919000 0.5583000 
1 1 1   -5    9   18 f   14.000   0.2815   13.850   0.3961   14.150   0.4000 -0.2966000 0.5629000 
1 1 1   -5    9   19 o   13.160   0.2798   13.270   0.3882   13.050   0.4030 0.2245000 0.5595000 
1 1 1   -5    9   20 o   14.090   0.3277   14.000   0.4805   14.180   0.4458 -0.1814000 0.6554000 
1 1 1   -5    9   21 o   20.190   0.2535   20.170   0.3221   20.210   0.3915 -0.4558000E-01 0.5070000 
1 1 1   -5    9   22 o   2.4440   0.7156   2.0930   0.9482   2.7950   1.0720 -0.7029000 1.431000 
1 1 1   -5    9   23 o   14.760   0.2605   14.530   0.3774   14.990   0.3592 -0.4511000 0.5210000 
1 1 1   -5    9   24 f   10.940   0.3189   10.450   0.4628   11.430   0.4387 -0.9833000 0.6377000 
1 1 1   -5    9   25 o   6.1510   0.4928   6.1310   0.6431   6.1700   0.7468 -0.3903000E-01 0.9855000 
1 1 1   -5    9   26 o   10.050   0.3205   9.2930   0.4491   10.810   0.4575 -1.514000 0.6411000 
1 1 1   -5    9   27 f   11.410   0.2933   11.580   0.3766   11.240   0.4498 0.3405000 0.5866000 
1 1 1   -5    9   28 o   8.2900   0.4854   8.4310   0.6008   8.1490   0.7625 0.2823000 0.9707000 
1 1 1   -5    9   29 o   5.3040   0.7145   4.7040   1.0580   5.9030   0.9601 -1.199000 1.429000 
1 1 1   -5    9   30 o   1.7220   0.5886   1.8080   0.8576   1.6370   0.8065 0.1710000 1.177000 
1 1 1   -5    9   31 o   2.2530   0.6766   2.8590   1.0830   1.6470   0.8121 1.212000 1.353000 
1 1 1   -5    9   32 o   2.5500   0.7825   2.7660   1.1420   2.3340   1.0700 0.4323000 1.565000 
1 1 1   -5   11    1 o   36.130   0.2023   36.230   0.2867   36.020   0.2855 0.2083000 0.4046000 
1 1 1   -5   11    2 o   13.990   0.1667   14.140   0.2330   13.840   0.2385 0.3038000 0.3334000 
1 1 1   -5   11    3 o   13.890   0.1687   14.010   0.2369   13.770   0.2403 0.2373000 0.3375000 
1 1 1   -5   11    4 o   27.440   0.1730   27.620   0.2449   27.250   0.2443 0.3716000 0.3459000 
1 1 1   -5   11    5 o   13.060   0.1933   13.400   0.2903   12.730   0.2554 0.6712000 0.3867000 
1 1 1   -5   11    6 o   34.420   0.2147   34.490   0.3251   34.350   0.2806 0.1444000 0.4294000 
1 1 1   -5   11    7 o   10.610   0.2362   10.630   0.3315   10.590   0.3365 0.4428000E-01 0.4724000 
1 1 1   -5   11    8 f   33.800   0.2285   33.700   0.3226   33.900   0.3238 -0.1985000 0.4571000 
1 1 1   -5   11    9 o   35.820   0.2389   35.690   0.3366   35.960   0.3392 -0.2665000 0.4779000 
1 1 1   -5   11   10 o   34.110   0.2334   33.950   0.3288   34.270   0.3315 -0.3282000 0.4668000 
1 1 1   -5   11   11 o   38.600   0.2550   38.670   0.3612   38.520   0.3600 0.1551000 0.5100000 
1 1 1   -5   11   12 o   28.020   0.2702   28.330   0.3833   27.720   0.3810 0.6161000 0.5405000 
1 1 1   -5   11   13 o   5.7810   0.6771   6.5030   0.8212   5.0590   1.0770 1.444000 1.354000 
1 1 1   -5   11   14 o   52.240   0.3621   52.140   0.5599   52.340   0.4592 -0.1996000 0.7242000 
1 1 1   -5   11   15 o   11.980   0.3086   12.000   0.4376   11.960   0.4352 0.3931000E-01 0.6171000 
1 1 1   -5   11   16 o   17.610   0.2496   17.670   0.3515   17.550   0.3545 0.1248000 0.4992000 
1 1 1   -5   11   17 f   28.900   0.2364   28.620   0.3367   29.180   0.3320 -0.5568000 0.4729000 
1 1 1   -5   11   18 o   6.9360   0.4949   7.3680   0.6818   6.5040   0.7175 0.8639000 0.9898000 
1 1 1   -5   11   19 o   25.410   0.2856   25.530   0.4178   25.280   0.3894 0.2534000 0.5711000 
1 1 1   -5   11   20 o   27.030   0.2579   27.170   0.3329   26.890   0.3939 0.2726000 0.5157000 
1 1 1   -5   11   21 o   10.560   0.3294   10.150   0.4761   10.970   0.4554 -0.8195000 0.6588000 
1 1 1   -5   11   22 o   18.250   0.2381   18.300   0.3359   18.200   0.3375 0.9299000E-01 0.4762000 
1 1 1   -5   11   23 o   11.500   0.3023   11.190   0.4348   11.810   0.4200 -0.6184000 0.6045000 
1 1 1   -5   11   24 o   5.5950   0.5965   6.3710   0.7188   4.8190   0.9522 1.552000 1.193000 
1 1 1   -5   11   25 o   10.700   0.3205   10.770   0.4492   10.640   0.4574 0.1364000 0.6411000 
1 1 1   -5   11   26 o   3.8930   0.7466   3.3750   1.1100   4.4120   0.9992 -1.037000 1.493000 
1 1 1   -5   11   27 f   4.7110   0.8367   5.2110   1.0880   4.2120   1.2710 0.9988000 1.673000 
1 1 1   -5   11   28 o   4.7810   0.7119   5.1150   0.9565   4.4480   1.0550 0.6663000 1.424000 
1 1 1   -5   11   29 o   7.5800   0.4396   7.3740   0.5895   7.7850   0.6524 -0.4102000 0.8793000 
1 1 1   -5   11   30 o   3.4710   0.8000   3.0700   1.1020   3.8720   1.1600 -0.8011000 1.600000 
1 1 1   -5   11   31 o   2.9610   0.8331   2.4890   1.0830   3.4330   1.2660 -0.9438000 1.666000 
1 1 1   -5   11   32 o   2.1730   0.7242   2.0900   0.9800   2.2550   1.0660 -0.1645000 1.448000 
1 1 1   -5   13    1 o   32.350   0.1942   32.110   0.2733   32.580   0.2759 -0.4686000 0.3884000 
1 1 1   -5   13    2 o   8.1680   0.2874   8.3850   0.4234   7.9500   0.3887 0.4346000 0.5748000 
1 1 1   -5   13    3 o   63.130   0.3264   63.060   0.4610   63.190   0.4622 -0.1297000 0.6528000 
1 1 1   -5   13    4 o   64.640   0.3337   64.490   0.4708   64.790   0.4731 -0.3008000 0.6674000 
1 1 1   -5   13    5 o   29.970   0.2034   30.080   0.3075   29.870   0.2662 0.2094000 0.4067000 
1 1 1   -5   13    6 o   56.610   0.3211   56.780   0.4869   56.450   0.4188 0.3279000 0.6422000 
1 1 1   -5   13    7 o   37.760   0.2341   37.730   0.3541   37.790   0.3064 -0.6068000E-01 0.4682000 
1 1 1   -5   13    8 o   31.810   0.2284   31.760   0.3232   31.870   0.3228 -0.1121000 0.4568000 
1 1 1   -5   13    9 o   31.420   0.2541   32.230   0.3268   30.620   0.3892 1.607000 0.5082000 
1 1 1   -5   13   10 o   14.680   0.3087   15.120   0.4161   14.240   0.4561 0.8808000 0.6173000 
1 1 1   -5   13   11 o   49.250   0.3815   49.070   0.5372   49.420   0.5417 -0.3522000 0.7629000 
1 1 1   -5   13   12 o   10.850   0.3406   10.670   0.5126   11.040   0.4485 -0.3698000 0.6811000 
1 1 1   -5   13   13 o   43.970   0.2892   43.640   0.4074   44.310   0.4106 -0.6654000 0.5785000 
1 1 1   -5   13   14 o   10.190   0.3815   10.980   0.5590   9.4070   0.5192 1.571000 0.7629000 
1 1 1   -5   13   15 o   22.600   0.2632   22.410   0.4088   22.800   0.3316 -0.3875000 0.5264000 
1 1 1   -5   13   16 o   40.550   0.2754   40.250   0.3888   40.840   0.3902 -0.5930000 0.5508000 
1 1 1   -5   13   17 o   7.7180   0.5501   7.6320   0.8159   7.8040   0.7380 -0.1715000 1.100000 
1 1 1   -5   13   18 o   3.7370   0.8267   3.6730   1.1030   3.8010   1.2310 -0.1277000 1.653000 
1 1 1   -5   13   19 o   11.500   0.3436   11.720   0.4260   11.280   0.5393 0.4307000 0.6873000 
1 1 1   -5   13   20 o   22.240   0.2329   22.310   0.3294   22.180   0.3294 0.1319000 0.4658000 
1 1 1   -5   13   21 o   14.290   0.2678   14.290   0.3825   14.290   0.3751 -0.1583000E-02 0.5357000 
1 1 1   -5   13   22 o   11.640   0.3058   11.470   0.4462   11.810   0.4185 -0.3385000 0.6117000 
1 1 1   -5   13   23 o   9.7250   0.3515   9.5020   0.5071   9.9480   0.4868 -0.4455000 0.7029000 
1 1 1   -5   13   24 f   1.9540   0.6391   1.7410   0.8408   2.1680   0.9627 -0.4264000 1.278000 
1 1 1   -5   13   25 o   4.6730   0.6969   4.3490   1.0510   4.9970   0.9151 -0.6473000 1.394000 
1 1 1   -5   13   26 o   5.6170   0.7874   5.4520   1.1540   5.7820   1.0720 -0.3301000 1.575000 
1 1 1   -5   13   27 o   4.4070   0.7977   3.8580   1.2540   4.9560   0.9859 -1.098000 1.595000 
1 1 1   -5   13   28 o   3.3990   0.8239   3.3110   1.1690   3.4870   1.1610 -0.1762000 1.648000 
1 1 1   -5   13   29 f   5.7370   0.6405   5.1540   1.0170   6.3200   0.7793 -1.167000 1.281000 
1 1 1   -5   13   30 o   2.5270   0.8012   2.8020   1.2110   2.2520   1.0490 0.5501000 1.602000 
1 1 1   -5   13   31 o   4.1810   0.8456   4.7540   1.0660   3.6080   1.3130 1.146000 1.691000 
1 1 1   -5   15    1 o   35.740   0.2115   35.700   0.2988   35.770   0.2994 -0.7665000E-01 0.4230000 
1 1 1   -5   15    2 o   54.630   0.2897   54.590   0.4096   54.670   0.4099 -0.7495000E-01 0.5795000 
1 1 1   -5   15    3 o   25.300   0.1997   25.140   0.2599   25.460   0.3033 -0.3228000 0.3994000 
1 1 1   -5   15    4 o   21.420   0.2091   21.370   0.2922   21.470   0.2993 -0.9521000E-01 0.4183000 
1 1 1   -5   15    5 o   25.560   0.2402   25.640   0.3710   25.480   0.3052 0.1559000 0.4804000 
1 1 1   -5   15    6 o   14.000   0.2771   13.840   0.4274   14.170   0.3527 -0.3256000 0.5542000 
1 1 1   -5   15    7 o   17.980   0.2523   18.130   0.3850   17.830   0.3261 0.3034000 0.5045000 
1 1 1   -5   15    8 o   11.580   0.3170   12.080   0.4701   11.080   0.4255 0.9948000 0.6341000 
1 1 1   -5   15    9 o   26.630   0.2503   26.940   0.3864   26.330   0.3183 0.6071000 0.5006000 
1 1 1   -5   15   10 o   6.1520   0.5230   6.0850   0.7503   6.2200   0.7287 -0.1354000 1.046000 
1 1 1   -5   15   11 o   57.770   0.3568   57.540   0.5029   58.000   0.5062 -0.4638000 0.7135000 
1 1 1   -5   15   12 o   13.590   0.2903   13.390   0.4108   13.800   0.4104 -0.4084000 0.5807000 
1 1 1   -5   15   13 o   35.760   0.2595   35.960   0.3667   35.560   0.3674 0.3919000 0.5191000 
1 1 1   -5   15   14 o   21.060   0.4182  ?   ?    21.060   0.4182      ?      ? 
1 1 1   -5   15   15 o   38.430   0.3323   38.630   0.4753   38.230   0.4644 0.3986000 0.6645000 
1 1 1   -5   15   16 o   13.580   0.3059   13.380   0.4027   13.770   0.4605 -0.3931000 0.6118000 
1 1 1   -5   15   17 o   9.7610   0.3906   10.060   0.4933   9.4670   0.6057 0.5885000 0.7812000 
1 1 1   -5   15   18 o   17.370   0.2482   17.150   0.3490   17.580   0.3531 -0.4324000 0.4965000 
1 1 1   -5   15   19 o   9.5760   0.3619   9.0460   0.5319   10.110   0.4910 -1.060000 0.7239000 
1 1 1   -5   15   20 o   7.8770   0.4186   7.9230   0.5823   7.8310   0.6015 0.9202000E-01 0.8372000 
1 1 1   -5   15   21 o   8.7600   0.3830   9.1610   0.5179   8.3580   0.5644 0.8026000 0.7660000 
1 1 1   -5   15   22 o   7.2540   0.4545   7.8010   0.5901   6.7070   0.6915 1.094000 0.9090000 
1 1 1   -5   15   23 o   13.110   0.2855   13.430   0.3964   12.780   0.4109 0.6499000 0.5709000 
1 1 1   -5   15   24 o   10.710   0.4200   10.390   0.5888   11.020   0.5989 -0.6222000 0.8399000 
1 1 1   -5   15   25 o   8.2470   0.5378   7.6100   0.8116   8.8850   0.7059 -1.275000 1.076000 
1 1 1   -5   15   26 o   3.2970   0.8387   3.5540   1.2420   3.0400   1.1280 0.5143000 1.677000 
1 1 1   -5   15   27 o   8.3090   0.4382   8.3650   0.6311   8.2530   0.6080 0.1113000 0.8763000 
1 1 1   -5   15   28 o   3.8830   0.8318   3.9290   1.1920   3.8360   1.1610 0.9290000E-01 1.664000 
1 1 1   -5   15   29 o   2.9270   0.8498   2.4740   1.1480   3.3790   1.2540 -0.9056000 1.700000 
1 1 1   -5   15   30 o   3.3100   0.8655   3.6970   1.2310   2.9230   1.2170 0.7737000 1.731000 
1 1 1   -5   17    1 o   35.670   0.2366   35.710   0.3562   35.630   0.3114 0.8306000E-01 0.4732000 
1 1 1   -5   17    2 f   2.4160   0.6759   2.9330   1.0300   1.8980   0.8758 1.035000 1.352000 
1 1 1   -5   17    3 o   24.080   0.1952   24.160   0.2765   24.010   0.2757 0.1530000 0.3904000 
1 1 1   -5   17    4 o   10.060   0.2928   10.070   0.4068   10.060   0.4214 0.6904000E-02 0.5857000 
1 1 1   -5   17    5 o   48.290   0.2893   48.420   0.4376   48.170   0.3785 0.2549000 0.5786000 
1 1 1   -5   17    6 o   10.950   0.3015   11.270   0.4428   10.640   0.4094 0.6230000 0.6031000 
1 1 1   -5   17    7 o   6.7920   0.4761   7.2730   0.6724   6.3120   0.6742 0.9610000 0.9522000 
1 1 1   -5   17    8 o   40.040   0.2570   40.320   0.3900   39.760   0.3348 0.5543000 0.5140000 
1 1 1   -5   17    9 o   18.630   0.2283   18.480   0.3458   18.770   0.2983 -0.2852000 0.4566000 
1 1 1   -5   17   10 f   7.4900   0.4313   8.0330   0.6081   6.9470   0.6118 1.086000 0.8626000 
1 1 1   -5   17   11 o   13.410   0.3258   13.630   0.5021   13.200   0.4152 0.4297000 0.6515000 
1 1 1   -5   17   12 o   14.420   0.3386   14.450   0.4852   14.380   0.4724 0.7675000E-01 0.6772000 
1 1 1   -5   17   13 o   21.700   0.2394   21.820   0.3288   21.590   0.3481 0.2340000 0.4788000 
1 1 1   -5   17   14 o   8.5930   0.4443   8.8390   0.5446   8.3460   0.7022 0.4931000 0.8886000 
1 1 1   -5   17   15 o   9.8690   0.3703   9.3810   0.5239   10.360   0.5233 -0.9768000 0.7405000 
1 1 1   -5   17   16 o   10.700   0.3929   9.9730   0.6354   11.430   0.4622 -1.455000 0.7857000 
1 1 1   -5   17   17 f   14.420   0.2700   14.350   0.3852   14.490   0.3785 -0.1385000 0.5401000 
1 1 1   -5   17   18 o   16.100   0.2591   16.370   0.3658   15.820   0.3670 0.5508000 0.5182000 
1 1 1   -5   17   19 o   15.100   0.2682   15.160   0.3733   15.050   0.3851 0.1098000 0.5363000 
1 1 1   -5   17   20 o   8.4050   0.4096   8.8690   0.5408   7.9420   0.6152 0.9268000 0.8191000 
1 1 1   -5   17   21 o   8.3720   0.4104   8.3280   0.5795   8.4170   0.5812 -0.8881000E-01 0.8207000 
1 1 1   -5   17   22 o   12.620   0.3517   12.430   0.5653   12.810   0.4184 -0.3765000 0.7033000 
1 1 1   -5   17   23 o   4.7690   0.8464   4.0170   1.2710   5.5200   1.1180 -1.502000 1.693000 
1 1 1   -5   17   24 o   5.5860   0.6511   5.5900   0.9960   5.5830   0.8388 0.7133000E-02 1.302000 
1 1 1   -5   17   25 o   2.0600   0.6802   1.9350   0.9355   2.1860   0.9877 -0.2516000 1.360000 
1 1 1   -5   17   26 o   10.940   0.3536   10.710   0.5159   11.170   0.4838 -0.4562000 0.7072000 
1 1 1   -5   17   27 o   7.6110   0.4800   7.5720   0.6911   7.6510   0.6665 -0.7820000E-01 0.9601000 
1 1 1   -5   17   28 o   2.4590   0.7864   2.8200   1.2190   2.0970   0.9934 0.7232000 1.573000 
1 1 1   -5   19    1 o   18.440   0.2146   18.510   0.3010   18.380   0.3058 0.1342000 0.4291000 
1 1 1   -5   19    2 o   22.630   0.2042   22.680   0.2867   22.580   0.2907 0.1000000 0.4083000 
1 1 1   -5   19    3 o   13.210   0.2525   13.250   0.3553   13.180   0.3590 0.6565000E-01 0.5051000 
1 1 1   -5   19    4 o   13.960   0.2440   14.070   0.3410   13.850   0.3492 0.2238000 0.4881000 
1 1 1   -5   19    5 o   2.5830   0.7495   2.8950   1.1300   2.2710   0.9855 0.6238000 1.499000 
1 1 1   -5   19    6 o   21.020   0.2680   20.970   0.4171   21.060   0.3366 -0.9266000E-01 0.5360000 
1 1 1   -5   19    7 o   19.360   0.2773   19.850   0.4327   18.870   0.3471 0.9862000 0.5547000 
1 1 1   -5   19    8 o   15.140   0.3138   14.340   0.5035   15.940   0.3745 -1.598000 0.6275000 
1 1 1   -5   19    9 o   18.780   0.2683   18.380   0.3428   19.180   0.4128 -0.8051000 0.5365000 
1 1 1   -5   19   10 o   7.5060   0.4492   7.5450   0.6309   7.4680   0.6395 0.7717000E-01 0.8983000 
1 1 1   -5   19   11 o   8.1970   0.4123   7.6640   0.6195   8.7310   0.5441 -1.067000 0.8245000 
1 1 1   -5   19   12 o   16.910   0.2381   17.420   0.3502   16.410   0.3227 1.015000 0.4762000 
1 1 1   -5   19   13 o   23.760   0.2379   23.650   0.3333   23.870   0.3396 -0.2184000 0.4758000 
1 1 1   -5   19   14 o   12.630   0.3011   12.640   0.4273   12.630   0.4242 0.1140000E-01 0.6021000 
1 1 1   -5   19   15 o   16.070   0.2648   16.090   0.3642   16.050   0.3844 0.3879000E-01 0.5296000 
1 1 1   -5   19   16 o   15.000   0.2754   15.310   0.3738   14.690   0.4046 0.6165000 0.5508000 
1 1 1   -5   19   17 o   4.7810   0.7021   5.8090   0.7815   3.7530   1.1670 2.056000 1.404000 
1 1 1   -5   19   18 o   3.7810   0.7651   4.4750   1.0190   3.0880   1.1420 1.387000 1.530000 
1 1 1   -5   19   19 o   10.290   0.3462   10.840   0.4611   9.7280   0.5164 1.115000 0.6923000 
1 1 1   -5   19   20 o   12.060   0.3115   12.200   0.4363   11.920   0.4448 0.2806000 0.6231000 
1 1 1   -5   19   21 o   2.1920   0.7211   2.5070   1.1090   1.8770   0.9217 0.6297000 1.442000 
1 1 1   -5   19   22 o   6.5060   0.5407   6.8730   0.6983   6.1390   0.8256 0.7344000 1.081000 
1 1 1   -5   19   23 o   6.6200   0.5882   6.0780   0.9518   7.1610   0.6913 -1.083000 1.176000 
1 1 1   -5   19   24 o   7.8080   0.4623   8.0020   0.6523   7.6130   0.6554 0.3883000 0.9247000 
1 1 1   -5   19   25 o   2.9220   0.7790   3.4780   1.1600   2.3670   1.0400 1.111000 1.558000 
1 1 1   -5   19   26 o   5.3150   0.8470   5.9430   1.1600   4.6860   1.2340 1.257000 1.694000 
1 1 1   -5   19   27 o   3.1900   0.7582   2.2260   1.0150   4.1530   1.1270 -1.926000 1.516000 
1 1 1   -5   21    1 o   6.2380   0.5589   5.8700   0.8596   6.6070   0.7144 -0.7371000 1.118000 
1 1 1   -5   21    2 o   13.390   0.2909   13.950   0.4035   12.830   0.4192 1.121000 0.5819000 
1 1 1   -5   21    3 o   14.710   0.2728   14.840   0.3870   14.590   0.3845 0.2513000 0.5455000 
1 1 1   -5   21    4 o   7.9460   0.4416   7.7730   0.6335   8.1180   0.6155 -0.3443000 0.8833000 
1 1 1   -5   21    5 o   6.6510   0.4468   6.2320   0.6562   7.0690   0.6065 -0.8374000 0.8936000 
1 1 1   -5   21    6 o   6.3610   0.5091   7.2980   0.6583   5.4240   0.7769 1.873000 1.018000 
1 1 1   -5   21    7 o   31.450   0.2343   31.460   0.3547   31.440   0.3061 0.1663000E-01 0.4685000 
1 1 1   -5   21    8 o   13.240   0.2797   13.150   0.4290   13.330   0.3590 -0.1875000 0.5594000 
1 1 1   -5   21    9 o   7.9520   0.4072   8.3380   0.5948   7.5670   0.5564 0.7707000 0.8145000 
1 1 1   -5   21   10 f   10.080   0.3277   10.190   0.4877   9.9760   0.4378 0.2105000 0.6553000 
1 1 1   -5   21   11 o   4.2120   0.6989   3.4140   1.1240   5.0110   0.8308 -1.597000 1.398000 
1 1 1   -5   21   12 o   13.550   0.2657   13.420   0.3985   13.670   0.3515 -0.2523000 0.5314000 
1 1 1   -5   21   13 o   11.520   0.2944   11.390   0.4470   11.660   0.3832 -0.2727000 0.5888000 
1 1 1   -5   21   14 o   3.1940   0.7406   3.9510   1.0900   2.4360   1.0030 1.515000 1.481000 
1 1 1   -5   21   15 o   3.8700   0.7666   4.4480   1.0350   3.2910   1.1310 1.158000 1.533000 
1 1 1   -5   21   16 f   10.920   0.3311   10.790   0.4716   11.050   0.4648 -0.2687000 0.6622000 
1 1 1   -5   21   17 o   2.7240   0.7102   1.7530   0.8457   3.6940   1.1410 -1.940000 1.420000 
1 1 1   -5   21   18 o   9.1110   0.5361   9.2360   0.6447   8.9860   0.8568 0.2496000 1.072000 
1 1 1   -5   21   19 o   5.6670   0.8095   5.7320   1.0200   5.6030   1.2570 0.1288000 1.619000 
1 1 1   -5   21   20 o   10.220   0.3884   10.840   0.5575   9.6070   0.5409 1.234000 0.7768000 
1 1 1   -5   21   21 o   6.7070   0.5795   7.0680   0.8409   6.3460   0.7976 0.7221000 1.159000 
1 1 1   -5   21   22 o   3.0880   0.8178   2.7510   1.1230   3.4240   1.1890 -0.6734000 1.636000 
1 1 1   -5   21   23 o   6.6780   0.5719   5.6840   0.9148   7.6720   0.6865 -1.988000 1.144000 
1 1 1   -5   21   24 o   3.5600   0.9410   3.5350   1.3450   3.5850   1.3170 -0.4937000E-01 1.882000 
1 1 1   -5   21   25 o   2.4990   0.7558   2.1930   0.9983   2.8050   1.1350 -0.6119000 1.512000 
1 1 1   -5   23    1 o   12.800   0.2610   12.720   0.3672   12.880   0.3709 -0.1601000 0.5219000 
1 1 1   -5   23    2 o   12.500   0.2683   12.360   0.3810   12.650   0.3779 -0.2951000 0.5366000 
1 1 1   -5   23    3 o   15.750   0.2316   15.930   0.3286   15.570   0.3266 0.3648000 0.4633000 
1 1 1   -5   23    4 o   17.100   0.2245   16.860   0.3191   17.330   0.3159 -0.4685000 0.4490000 
1 1 1   -5   23    5 o   9.9000   0.3127   9.9770   0.4376   9.8230   0.4469 0.1535000 0.6255000 
1 1 1   -5   23    6 o   9.7300   0.3418   9.2030   0.5301   10.260   0.4315 -1.054000 0.6836000 
1 1 1   -5   23    7 o   3.2370   0.7566   2.7680   1.1080   3.7060   1.0310 -0.9380000 1.513000 
1 1 1   -5   23    8 o   2.9150   0.7251   2.2830   1.0150   3.5470   1.0360 -1.264000 1.450000 
1 1 1   -5   23    9 o   5.8480   0.5370   5.9060   0.8161   5.7890   0.6983 0.1171000 1.074000 
1 1 1   -5   23   10 o   2.7390   0.7384   2.5330   1.0450   2.9440   1.0430 -0.4114000 1.477000 
1 1 1   -5   23   11 o   7.4190   0.4175   7.1580   0.6423   7.6800   0.5335 -0.5223000 0.8350000 
1 1 1   -5   23   12 f   5.9170   0.5216   5.9850   0.7830   5.8490   0.6895 0.1351000 1.043000 
1 1 1   -5   23   13 o   4.8370   0.6426   3.7300   1.1030   5.9450   0.6599 -2.215000 1.285000 
1 1 1   -5   23   14 o   9.2720   0.3608   8.8260   0.5649   9.7180   0.4489 -0.8920000 0.7216000 
1 1 1   -5   23   15 o   9.2540   0.4506   8.3130   0.7269   10.190   0.5325 -1.881000 0.9011000 
1 1 1   -5   23   16 o   7.8420   0.5300   6.7260   0.8708   8.9570   0.6044 -2.232000 1.060000 
1 1 1   -5   23   17 o   8.9240   0.4505   8.9620   0.6819   8.8850   0.5888 0.7757000E-01 0.9010000 
1 1 1   -5   23   18 f   7.0820   0.5621   6.6240   0.9007   7.5400   0.6728 -0.9159000 1.124000 
1 1 1   -5   23   19 o   4.2810   0.7857   4.7140   1.0390   3.8480   1.1790 0.8663000 1.571000 
1 1 1   -5   23   20 o   3.5710   0.8342   3.4210   1.1760   3.7220   1.1840 -0.3011000 1.668000 
1 1 1   -5   23   21 o   2.4230   0.7405   2.7550   1.1150   2.0910   0.9750 0.6646000 1.481000 
1 1 1   -5   23   22 o   4.0770   0.9241   4.6010   1.3190   3.5530   1.2940 1.048000 1.848000 
1 1 1   -5   23   23 o   2.3710   0.7480   2.2670   1.0270   2.4750   1.0880 -0.2076000 1.496000 
1 1 1   -5   25    1 o   10.020   0.3310   10.060   0.4302   9.9780   0.5031 0.8695000E-01 0.6620000 
1 1 1   -5   25    2 o   7.2020   0.4099   7.3370   0.5672   7.0680   0.5920 0.2689000 0.8199000 
1 1 1   -5   25    3 o   10.520   0.2982   10.710   0.4169   10.320   0.4266 0.3865000 0.5965000 
1 1 1   -5   25    4 o   6.8190   0.4379   6.2320   0.6703   7.4070   0.5636 -1.175000 0.8757000 
1 1 1   -5   25    5 o   14.640   0.2417   14.720   0.3393   14.570   0.3443 0.1458000 0.4834000 
1 1 1   -5   25    6 o   6.9550   0.4676   6.4380   0.7432   7.4720   0.5677 -1.034000 0.9352000 
1 1 1   -5   25    7 f   7.4310   0.4458   7.2190   0.6941   7.6420   0.5595 -0.4236000 0.8915000 
1 1 1   -5   25    8 o   8.7160   0.3889   8.1170   0.6200   9.3150   0.4695 -1.198000 0.7778000 
1 1 1   -5   25    9 o   6.1880   0.5202   6.7040   0.7236   5.6720   0.7475 1.033000 1.040000 
1 1 1   -5   25   10 o   7.2610   0.5311   7.8180   0.7548   6.7050   0.7474 1.113000 1.062000 
1 1 1   -5   25   11 o   13.130   0.3334   12.840   0.5184   13.410   0.4195 -0.5659000 0.6669000 
1 1 1   -5   25   12 o   4.3860   0.7024   3.5710   1.1630   5.2000   0.7880 -1.629000 1.405000 
1 1 1   -5   25   13 o   5.3710   0.6935   5.0970   1.1090   5.6450   0.8335 -0.5475000 1.387000 
1 1 1   -5   25   14 o   3.1350   0.8309   3.4090   1.2330   2.8610   1.1140 0.5480000 1.662000 
1 1 1   -5   25   15 o   7.0350   0.5414   6.7070   0.9083   7.3630   0.5893 -0.6562000 1.083000 
1 1 1   -5   25   16 o   3.3350   0.7739   4.0650   1.1400   2.6060   1.0470 1.459000 1.548000 
1 1 1   -5   25   17 o   2.8610   0.7701   3.3170   1.1610   2.4050   1.0110 0.9116000 1.540000 
1 1 1   -5   25   18 o   4.6250   0.7421   4.9830   1.0420   4.2670   1.0570 0.7164000 1.484000 
1 1 1   -5   25   19 o   2.9450   0.8417   3.7110   1.3490   2.1780   1.0070 1.533000 1.683000 
1 1 1   -5   25   20 o   2.0830   0.6870   2.1480   0.9872   2.0190   0.9558 0.1289000 1.374000 
1 1 1   -5   27    1 o   4.3800   0.7670   4.4780   1.0560   4.2830   1.1130 0.1947000 1.534000 
1 1 1   -5   27    2 o   4.3870   0.7210   3.2380   1.1290   5.5360   0.8969 -2.298000 1.442000 
1 1 1   -5   27    3 o   4.2140   0.7706   3.7260   1.1320   4.7020   1.0460 -0.9754000 1.541000 
1 1 1   -5   27    4 o   4.7810   0.8051   5.8920   0.9777   3.6700   1.2790 2.221000 1.610000 
1 1 1   -5   27    5 o   9.6310   0.3743   9.7490   0.5198   9.5130   0.5387 0.2363000 0.7486000 
1 1 1   -5   27    6 o   5.3690   0.7006   5.7100   1.0210   5.0270   0.9593 0.6823000 1.401000 
1 1 1   -5   27    7 o   5.2540   0.7281   5.2090   1.1360   5.2990   0.9107 -0.9020000E-01 1.456000 
1 1 1   -5   27    8 f   5.6270   0.7038   5.2400   1.1390   6.0130   0.8272 -0.7729000 1.408000 
1 1 1   -5   27    9 o   8.3540   0.5125   7.4050   0.8493   9.3020   0.5738 -1.897000 1.025000 
1 1 1   -5   27   10 o   8.4020   0.3998   8.1970   0.6054   8.6070   0.5224 -0.4104000 0.7996000 
1 1 1   -5   27   11 o   6.0010   0.5541   6.0120   0.8236   5.9900   0.7414 0.2110000E-01 1.108000 
1 1 1   -5   27   12 o   6.2790   0.5291   6.2690   0.7908   6.2890   0.7032 -0.2024000E-01 1.058000 
1 1 1   -5   27   13 o   3.6090   0.7926   3.7800   1.1490   3.4380   1.0920 0.3415000 1.585000 
1 1 1   -5   27   14 o   4.0940   0.7362   3.3120   1.1610   4.8760   0.9060 -1.564000 1.472000 
1 1 1   -5   27   15 o   2.4850   0.7841   2.4850   1.1340   2.4850   1.0830 0.4790000E-03 1.568000 
1 1 1   -5   27   16 o   2.4400   0.7553   2.0560   0.9923   2.8230   1.1390 -0.7671000 1.511000 
1 1 1   -5   27   17 o   2.8600   0.7453   2.2210   1.0010   3.5000   1.1040 -1.279000 1.491000 
1 1 1   -5   29    1 o   6.7950   0.4714   7.2530   0.6206   6.3360   0.7097 0.9176000 0.9428000 
1 1 1   -5   29    2 o   4.2950   0.6929   5.2840   0.8502   3.3050   1.0940 1.979000 1.386000 
1 1 1   -5   29    3 o   4.4520   0.6947   4.3020   1.0170   4.6020   0.9465 -0.2995000 1.389000 
1 1 1   -5   29    4 o   3.0050   0.7696   2.9550   1.0870   3.0540   1.0900 -0.9973000E-01 1.539000 
1 1 1   -5   29    5 o   1.9400   0.6326   2.0260   0.9187   1.8540   0.8699 0.1724000 1.265000 
1 1 1   -5   29    6 o   3.7300   0.7923   4.0650   1.1520   3.3960   1.0880 0.6687000 1.585000 
1 1 1   -5   29    7 o   3.7770   0.8073   4.0280   1.1900   3.5270   1.0910 0.5005000 1.615000 
1 1 1   -5   29    8 o   9.1310   0.3937   9.4770   0.5850   8.7860   0.5269 0.6914000 0.7873000 
1 1 1   -5   29    9 o   3.8480   0.9039   3.5290   1.3820   4.1670   1.1650 -0.6383000 1.808000 
1 1 1   -5   29   10 o   8.4220   0.6292  ?   ?    8.4220   0.6292      ?      ? 
1 1 1   -5   29   11 o   3.5650   0.8920   3.9570   1.3400   3.1720   1.1770 0.7851000 1.784000 
1 1 1   -5   29   12 o   1.9560   0.6491   1.9710   0.9336   1.9410   0.9020 0.2979000E-01 1.298000 
1 1 1   -5   29   13 o   1.9870   0.6604   1.7850   0.8637   2.1890   0.9992 -0.4040000 1.321000 
1 1 1   -5   31    1 o   3.7090   0.8431   3.3440   1.2140   4.0730   1.1700 -0.7287000 1.686000 
1 1 1   -5   31    2 o   2.3670   0.7325   2.8110   1.1450   1.9240   0.9145 0.8872000 1.465000 
1 1 1   -5   31    3 o   2.1970   0.7046   2.6170   1.1140   1.7780   0.8630 0.8393000 1.409000 
1 1 1   -5   31    4 o   3.2230   0.8157   2.6810   1.1240   3.7660   1.1830 -1.085000 1.631000 
1 1 1   -5   31    5 o   2.5230   0.7728   2.5140   1.0910   2.5320   1.0950 -0.1788000E-01 1.546000 
1 1 1   -4    0    2 o   4.4610   0.1009   4.4610   0.1009   4.4610   0.1009 -0.000000 0.000000 
1 1 1   -4    0    3 o   9.7380   0.0960   9.7380   0.0960   9.7380   0.0960 -0.000000 0.000000 
1 1 1   -4    0    4 f   3.7820   0.1834   3.7820   0.1834   3.7820   0.1834 -0.000000 0.000000 
1 1 1   -4    0    5 o   36.350   0.3710   36.350   0.3710   36.350   0.3710 -0.000000 0.000000 
1 1 1   -4    0    6 f   28.800   0.2155   28.800   0.2155   28.800   0.2155 -0.000000 0.000000 
1 1 1   -4    0    7 o   32.150   0.2400   32.150   0.2400   32.150   0.2400 -0.000000 0.000000 
1 1 1   -4    0    8 o   40.770   0.2978   40.770   0.2978   40.770   0.2978 -0.000000 0.000000 
1 1 1   -4    0    9 o   21.560   0.1881   21.560   0.1881   21.560   0.1881 -0.000000 0.000000 
1 1 1   -4    0   10 o   15.990   0.2519   15.990   0.2519   15.990   0.2519 -0.000000 0.000000 
1 1 1   -4    0   11 o   31.120   0.2444   31.120   0.2444   31.120   0.2444 -0.000000 0.000000 
1 1 1   -4    0   12 o   22.500   0.2050   22.500   0.2050   22.500   0.2050 -0.000000 0.000000 
1 1 1   -4    0   13 o   7.2000   0.3140   7.2000   0.3140   7.2000   0.3140 -0.000000 0.000000 
1 1 1   -4    0   14 o   54.800   0.3999   54.800   0.3999   54.800   0.3999 -0.000000 0.000000 
1 1 1   -4    0   15 o   34.190   0.2753   34.190   0.2753   34.190   0.2753 -0.000000 0.000000 
1 1 1   -4    0   16 o   17.620   0.2443   17.620   0.2443   17.620   0.2443 -0.000000 0.000000 
1 1 1   -4    0   17 o   28.370   0.2641   28.370   0.2641   28.370   0.2641 -0.000000 0.000000 
1 1 1   -4    0   18 o   22.420   0.3740   22.420   0.3740   22.420   0.3740 -0.000000 0.000000 
1 1 1   -4    0   19 o   2.7060   1.3270   2.7060   1.3270   2.7060   1.3270 -0.000000 0.000000 
1 1 1   -4    0   20 o   5.8780   0.8083   5.8780   0.8083   5.8780   0.8083 -0.000000 0.000000 
1 1 1   -4    0   21 o   53.300   0.4045   53.300   0.4045   53.300   0.4045 -0.000000 0.000000 
1 1 1   -4    0   22 o   10.610   0.3954   10.610   0.3954   10.610   0.3954 -0.000000 0.000000 
1 1 1   -4    0   23 o   30.580   0.4043   30.580   0.4043   30.580   0.4043 -0.000000 0.000000 
1 1 1   -4    0   24 o   2.9530   1.2490   2.9530   1.2490   2.9530   1.2490 -0.000000 0.000000 
1 1 1   -4    0   25 o   2.7170   1.2480   2.7170   1.2480   2.7170   1.2480 -0.000000 0.000000 
1 1 1   -4    0   26 o   1.2930   0.8869   1.2930   0.8869   1.2930   0.8869 -0.000000 0.000000 
1 1 1   -4    0   27 o   11.810   0.4139   11.810   0.4139   11.810   0.4139 -0.000000 0.000000 
1 1 1   -4    0   28 o   2.7890   1.3220   2.7890   1.3220   2.7890   1.3220 -0.000000 0.000000 
1 1 1   -4    0   29 o   9.5820   0.4851   9.5820   0.4851   9.5820   0.4851 -0.000000 0.000000 
1 1 1   -4    0   30 o   2.3770   1.3870   2.3770   1.3870   2.3770   1.3870 -0.000000 0.000000 
1 1 1   -4    0   31 o   2.0290   1.2260   2.0290   1.2260   2.0290   1.2260 -0.000000 0.000000 
1 1 1   -4    0   32 o   3.8960   1.3370   3.8960   1.3370   3.8960   1.3370 -0.000000 0.000000 
1 1 1   -4    0   33 o   6.7980   0.7397   6.7980   0.7397   6.7980   0.7397 -0.000000 0.000000 
1 1 1   -4    0   34 o   1.8320   1.2610   1.8320   1.2610   1.8320   1.2610 -0.000000 0.000000 
1 1 1   -4    2    1 o   45.420   0.2275   45.470   0.3220   45.380   0.3214 0.8975000E-01 0.4550000 
1 1 1   -4    2    2 o   32.110   0.1889   31.870   0.2654   32.340   0.2687 -0.4641000 0.3777000 
1 1 1   -4    2    3 o   51.430   0.2975   51.740   0.4232   51.130   0.4183 0.6081000 0.5950000 
1 1 1   -4    2    4 o   11.110   0.1522   11.060   0.2444   11.150   0.1814 -0.8393000E-01 0.3043000 
1 1 1   -4    2    5 o   29.450   0.2000   29.440   0.3095   29.450   0.2533 -0.7561000E-02 0.3999000 
1 1 1   -4    2    6 o   59.940   0.3476   59.810   0.4907   60.060   0.4925 -0.2563000 0.6953000 
1 1 1   -4    2    7 o   57.010   0.3322   56.970   0.4694   57.060   0.4701 -0.9753000E-01 0.6643000 
1 1 1   -4    2    8 o   60.240   0.3510   60.020   0.4946   60.460   0.4982 -0.4427000 0.7021000 
1 1 1   -4    2    9 o   23.380   0.1824   23.560   0.2315   23.210   0.2821 0.3461000 0.3649000 
1 1 1   -4    2   10 o   53.640   0.4780   52.910   0.5419   54.370   0.7876 -1.462000 0.9560000 
1 1 1   -4    2   11 o   28.010   0.1749   28.050   0.2287   27.970   0.2646 0.7996000E-01 0.3497000 
1 1 1   -4    2   12 o   23.210   0.1604   23.490   0.2112   22.930   0.2415 0.5538000 0.3208000 
1 1 1   -4    2   13 f   22.250   0.1624   22.230   0.2122   22.260   0.2460 -0.2395000E-01 0.3249000 
1 1 1   -4    2   14 o   24.930   0.1745   24.650   0.2268   25.200   0.2652 -0.5479000 0.3489000 
1 1 1   -4    2   15 o   36.520   0.2212   36.080   0.2866   36.960   0.3371 -0.8799000 0.4424000 
1 1 1   -4    2   16 o   24.900   0.1924   24.760   0.2480   25.040   0.2941 -0.2803000 0.3847000 
1 1 1   -4    2   17 o   36.660   0.2298   36.500   0.2987   36.830   0.3494 -0.3287000 0.4597000 
1 1 1   -4    2   18 o   16.120   0.2829   16.270   0.3892   15.960   0.4106 0.3148000 0.5658000 
1 1 1   -4    2   19 o   10.350   0.3387   10.510   0.4220   10.190   0.5299 0.3198000 0.6774000 
1 1 1   -4    2   20 o   2.9150   0.7874   3.1960   1.1090   2.6340   1.1180 0.5620000 1.575000 
1 1 1   -4    2   21 o   18.370   0.2193   18.400   0.2872   18.330   0.3316 0.7074000E-01 0.4386000 
1 1 1   -4    2   22 o   23.520   0.2515   23.490   0.3185   23.550   0.3892 -0.5713000E-01 0.5030000 
1 1 1   -4    2   23 o   9.8500   0.3731   10.400   0.4477   9.3010   0.5970 1.098000 0.7463000 
1 1 1   -4    2   24 o   5.9440   0.5125   6.8780   0.5573   5.0100   0.8603 1.868000 1.025000 
1 1 1   -4    2   25 o   8.3010   0.3598   8.4670   0.4547   8.1350   0.5577 0.3324000 0.7196000 
1 1 1   -4    2   26 o   8.2510   0.3710   8.5240   0.4643   7.9780   0.5787 0.5457000 0.7420000 
1 1 1   -4    2   27 o   4.4310   0.6719   4.1060   0.9635   4.7550   0.9368 -0.6495000 1.344000 
1 1 1   -4    2   28 o   2.8570   0.7482   2.5630   1.0060   3.1510   1.1080 -0.5887000 1.496000 
1 1 1   -4    2   29 o   9.8270   0.3236   9.7820   0.4350   9.8730   0.4792 -0.9148000E-01 0.6472000 
1 1 1   -4    2   30 o   2.5200   0.7905   2.5850   1.1310   2.4550   1.1050 0.1294000 1.581000 
1 1 1   -4    2   31 o   8.5780   0.3974   9.1560   0.4851   7.9990   0.6297 1.156000 0.7949000 
1 1 1   -4    2   32 o   2.1150   0.6702   1.7380   0.8322   2.4920   1.0510 -0.7545000 1.340000 
1 1 1   -4    2   33 o   3.4390   0.7946   3.7030   1.0780   3.1750   1.1680 0.5284000 1.589000 
1 1 1   -4    2   34 o   2.8070   0.8962   2.5060   1.1380   3.1080   1.3850 -0.6017000 1.792000 
1 1 1   -4    4    1 o   40.090   0.2898   40.800   0.4166   39.370   0.4031 1.432000 0.5797000 
1 1 1   -4    4    2 o   16.320   0.1369   16.590   0.2123   16.040   0.1728 0.5476000 0.2737000 
1 1 1   -4    4    3 o   31.960   0.2172   32.030   0.3367   31.890   0.2746 0.1447000 0.4345000 
1 1 1   -4    4    4 o   48.520   0.2846   48.390   0.4016   48.640   0.4034 -0.2450000 0.5692000 
1 1 1   -4    4    5 o   32.510   0.1998   32.580   0.2831   32.430   0.2821 0.1548000 0.3996000 
1 1 1   -4    4    6 o   50.090   0.2947   49.950   0.4159   50.230   0.4176 -0.2828000 0.5893000 
1 1 1   -4    4    7 o   77.070   0.4461   77.240   0.6325   76.910   0.6293 0.3383000 0.8922000 
1 1 1   -4    4    8 o   43.630   0.3209   43.450   0.4526   43.820   0.4550 -0.3630000 0.6418000 
1 1 1   -4    4    9 o   17.700   0.3609  ?   ?    17.700   0.3609      ?      ? 
1 1 1   -4    4   10 o   22.960   0.1694   22.810   0.2389   23.110   0.2401 -0.2919000 0.3387000 
1 1 1   -4    4   11 f   14.880   0.1653   14.640   0.2343   15.120   0.2334 -0.4782000 0.3307000 
1 1 1   -4    4   12 o   35.720   0.2275   35.890   0.3231   35.540   0.3204 0.3554000 0.4550000 
1 1 1   -4    4   13 o   5.9350   0.3400   5.6640   0.4992   6.2050   0.4617 -0.5406000 0.6799000 
1 1 1   -4    4   14 o   9.5680   0.2423   9.3930   0.3449   9.7430   0.3405 -0.3497000 0.4847000 
1 1 1   -4    4   15 o   8.8370   0.2677   8.9830   0.3418   8.6900   0.4120 0.2924000 0.5353000 
1 1 1   -4    4   16 o   14.620   0.2475   14.830   0.3470   14.410   0.3531 0.4167000 0.4950000 
1 1 1   -4    4   17 o   35.570   0.2722   35.080   0.3384   36.070   0.4266 -0.9899000 0.5445000 
1 1 1   -4    4   18 o   13.750   0.2632   13.330   0.3678   14.170   0.3765 -0.8389000 0.5263000 
1 1 1   -4    4   19 o   20.940   0.2380   21.090   0.3288   20.790   0.3441 0.2914000 0.4760000 
1 1 1   -4    4   20 o   13.420   0.2745   13.920   0.3433   12.910   0.4286 1.016000 0.5491000 
1 1 1   -4    4   21 o   4.7900   0.6369   3.6270   1.0030   5.9520   0.7846 -2.325000 1.274000 
1 1 1   -4    4   22 o   5.0150   0.9010   5.2000   1.0890   4.8290   1.4360 0.3704000 1.802000 
1 1 1   -4    4   23 o   30.970   0.2215   30.970   0.2911   30.970   0.3339 -0.7286000E-03 0.4430000 
1 1 1   -4    4   24 o   9.9980   0.3063   9.1490   0.4351   10.850   0.4313 -1.699000 0.6127000 
1 1 1   -4    4   25 o   7.6400   0.3845   8.1660   0.4791   7.1150   0.6014 1.051000 0.7689000 
1 1 1   -4    4   26 o  10.0000   0.3087   9.9450   0.4079   10.060   0.4635 -0.1183000 0.6174000 
1 1 1   -4    4   27 o   1.8880   0.6167   2.0300   0.9077   1.7460   0.8351 0.2841000 1.233000 
1 1 1   -4    4   28 f   5.7910   0.5290   6.2040   0.6471   5.3790   0.8370 0.8253000 1.058000 
1 1 1   -4    4   29 o   3.7570   0.8432   3.8170   1.1110   3.6960   1.2690 0.1207000 1.686000 
1 1 1   -4    4   30 o   3.5440   0.7971   2.9110   1.1330   4.1780   1.1220 -1.267000 1.594000 
1 1 1   -4    4   31 f   5.2930   0.6291   5.3120   0.8099   5.2750   0.9629 0.3724000E-01 1.258000 
1 1 1   -4    4   32 o   2.0920   0.6754   2.1390   0.9545   2.0450   0.9558 0.9360000E-01 1.351000 
1 1 1   -4    4   33 o   1.9070   0.6531   1.7680   0.8643   2.0450   0.9793 -0.2774000 1.306000 
1 1 1   -4    6    1 o   88.300   0.4409   88.770   0.6267   87.830   0.6203 0.9369000 0.8818000 
1 1 1   -4    6    2 o  144.700   0.7191  144.800   1.0180  144.600   1.0160 0.2043000 1.438000 
1 1 1   -4    6    3 o  117.500   0.6320  117.500   0.9558  117.500   0.8271 0.1692000E-01 1.264000 
1 1 1   -4    6    4 o   48.880   0.2896   48.990   0.4104   48.770   0.4086 0.2131000 0.5791000 
1 1 1   -4    6    5 o   32.330   0.2039   32.310   0.2881   32.340   0.2887 -0.2605000E-01 0.4078000 
1 1 1   -4    6    6 o   40.750   0.3037   40.750   0.4297   40.750   0.4292 -0.1186000E-02 0.6074000 
1 1 1   -4    6    7 o   34.130   0.3211   34.130   0.3736   34.120   0.5222 0.1038000E-01 0.6421000 
1 1 1   -4    6    8 o   36.320   0.2534   36.190   0.3208   36.450   0.3923 -0.2564000 0.5068000 
1 1 1   -4    6    9 o   16.330   0.1899   16.800   0.3012   15.850   0.2313 0.9569000 0.3797000 
1 1 1   -4    6   10 o   21.220   0.1942   20.990   0.3038   21.450   0.2419 -0.4630000 0.3883000 
1 1 1   -4    6   11 f   37.250   0.2364   37.260   0.3340   37.240   0.3345 0.2122000E-01 0.4727000 
1 1 1   -4    6   12 o   8.7960   0.2467   8.6860   0.3499   8.9070   0.3480 -0.2219000 0.4935000 
1 1 1   -4    6   13 o   57.780   0.3456   57.770   0.4888   57.790   0.4887 -0.1451000E-01 0.6912000 
1 1 1   -4    6   14 o   37.880   0.2459   37.980   0.3492   37.780   0.3464 0.2001000 0.4918000 
1 1 1   -4    6   15 o   13.440   0.2499   13.380   0.3559   13.490   0.3508 -0.1143000 0.4997000 
1 1 1   -4    6   16 o   51.260   0.3878   51.090   0.5470   51.440   0.5497 -0.3522000 0.7755000 
1 1 1   -4    6   17 o   19.000   0.3256   18.960   0.5180   19.050   0.3948 -0.9151000E-01 0.6513000 
1 1 1   -4    6   18 o   14.670   0.2772   14.180   0.4004   15.160   0.3835 -0.9791000 0.5544000 
1 1 1   -4    6   19 o   25.720   0.2181   25.530   0.2835   25.920   0.3316 -0.3954000 0.4362000 
1 1 1   -4    6   20 o   22.250   0.2115   22.290   0.2768   22.220   0.3199 0.6894000E-01 0.4230000 
1 1 1   -4    6   21 o   16.540   0.2985   15.610   0.4355   17.470   0.4084 -1.864000 0.5971000 
1 1 1   -4    6   22 o   7.9880   0.4594   8.0950   0.5689   7.8800   0.7215 0.2154000 0.9188000 
1 1 1   -4    6   23 o   18.360   0.2158   18.550   0.2876   18.160   0.3217 0.3956000 0.4315000 
1 1 1   -4    6   24 o   10.560   0.2929   10.120   0.4072   10.990   0.4210 -0.8701000 0.5857000 
1 1 1   -4    6   25 o   13.790   0.2479   13.720   0.3291   13.870   0.3708 -0.1584000 0.4957000 
1 1 1   -4    6   26 o   13.510   0.2547   13.820   0.3334   13.200   0.3850 0.6166000 0.5093000 
1 1 1   -4    6   27 o   7.0170   0.4390   7.0990   0.5695   6.9350   0.6683 0.1637000 0.8780000 
1 1 1   -4    6   28 o   5.7610   0.5368   5.1400   0.7943   6.3830   0.7222 -1.243000 1.074000 
1 1 1   -4    6   29 o   2.5020   0.7612   1.8180   0.8897   3.1850   1.2350 -1.367000 1.522000 
1 1 1   -4    6   30 o   6.0410   0.5447   5.2860   0.8086   6.7960   0.7299 -1.510000 1.089000 
1 1 1   -4    6   31 o   1.8610   0.6251   1.7100   0.8200   2.0110   0.9438 -0.3011000 1.250000 
1 1 1   -4    6   32 o   5.4060   0.6492   6.3200   0.6956   4.4910   1.0960 1.828000 1.298000 
1 1 1   -4    6   33 o   2.9020   0.8758   2.9640   1.1840   2.8400   1.2910 0.1246000 1.752000 
1 1 1   -4    8    1 o   19.240   0.1588   19.200   0.2249   19.270   0.2243 -0.7091000E-01 0.3176000 
1 1 1   -4    8    2 o   33.790   0.2144   33.770   0.3033   33.820   0.3030 -0.4736000E-01 0.4287000 
1 1 1   -4    8    3 o   35.620   0.2241   35.940   0.3192   35.300   0.3145 0.6455000 0.4481000 
1 1 1   -4    8    4 o   32.780   0.2578   33.620   0.3721   31.950   0.3570 1.667000 0.5156000 
1 1 1   -4    8    5 o   32.210   0.2327   32.120   0.2943   32.300   0.3605 -0.1811000 0.4654000 
1 1 1   -4    8    6 o   16.430   0.1814   16.510   0.2334   16.350   0.2777 0.1661000 0.3628000 
1 1 1   -4    8    7 o   5.0870   0.3671   5.3940   0.4802   4.7810   0.5553 0.6123000 0.7341000 
1 1 1   -4    8    8 o   16.300   0.1910   16.230   0.2880   16.380   0.2510 -0.1531000 0.3821000 
1 1 1   -4    8    9 o   2.0980   0.5934   1.9710   0.8180   2.2260   0.8600 -0.2552000 1.187000 
1 1 1   -4    8   10 o   30.020   0.2324   29.540   0.2903   30.500   0.3630 -0.9642000 0.4648000 
1 1 1   -4    8   11 o   46.090   0.2841   46.180   0.4029   46.000   0.4005 0.1745000 0.5681000 
1 1 1   -4    8   12 o   33.240   0.2255   33.220   0.3209   33.250   0.3168 -0.3328000E-01 0.4510000 
1 1 1   -4    8   13 o   23.060   0.2001   23.200   0.2861   22.930   0.2798 0.2668000 0.4002000 
1 1 1   -4    8   14 o   15.190   0.2272   14.850   0.3272   15.540   0.3153 -0.6947000 0.4543000 
1 1 1   -4    8   15 f   14.530   0.2980   14.920   0.4057   14.130   0.4367 0.7938000 0.5960000 
1 1 1   -4    8   16 o   23.640   0.2636   23.760   0.3705   23.520   0.3750 0.2429000 0.5271000 
1 1 1   -4    8   17 o   26.910   0.2303   26.610   0.3272   27.220   0.3241 -0.6062000 0.4605000 
1 1 1   -4    8   18 o   12.270   0.3164   12.120   0.4519   12.420   0.4431 -0.3019000 0.6329000 
1 1 1   -4    8   19 o   21.500   0.2307   21.470   0.3279   21.530   0.3246 -0.5927000E-01 0.4614000 
1 1 1   -4    8   20 o   4.5590   0.7811   3.2670   1.2440   5.8520   0.9446 -2.585000 1.562000 
1 1 1   -4    8   21 o   17.540   0.3239   17.180   0.3452   17.900   0.5482 -0.7129000 0.6479000 
1 1 1   -4    8   22 o   26.820   0.2290   26.750   0.3255   26.890   0.3222 -0.1449000 0.4579000 
1 1 1   -4    8   23 o   8.8330   0.3457   8.6990   0.4545   8.9680   0.5210 -0.2694000 0.6913000 
1 1 1   -4    8   24 o   13.960   0.2523   13.900   0.3329   14.020   0.3792 -0.1169000 0.5046000 
1 1 1   -4    8   25 o   18.810   0.2241   18.840   0.2956   18.780   0.3368 0.6518000E-01 0.4481000 
1 1 1   -4    8   26 o   3.8380   0.7323   3.1900   1.0450   4.4870   1.0260 -1.297000 1.465000 
1 1 1   -4    8   27 o   4.6430   0.6555   5.3520   0.7471   3.9330   1.0770 1.419000 1.311000 
1 1 1   -4    8   28 o   7.0840   0.5414   6.2600   0.7607   7.9080   0.7705 -1.648000 1.083000 
1 1 1   -4    8   29 o   7.4330   0.4749   6.8340   0.7299   8.0320   0.6077 -1.199000 0.9498000 
1 1 1   -4    8   30 o   2.7560   0.7549   3.0840   1.0850   2.4280   1.0490 0.6565000 1.510000 
1 1 1   -4    8   31 f   2.9190   0.7809   2.9860   1.0850   2.8520   1.1240 0.1337000 1.562000 
1 1 1   -4    8   32 o   3.6550   0.8629   4.0690   1.1880   3.2400   1.2520 0.8288000 1.726000 
1 1 1   -4    8   33 o   2.5690   1.1540   2.5690   1.1540  ?   ?       ?      ? 
1 1 1   -4   10    1 o   50.760   0.2647   50.670   0.3737   50.850   0.3749 -0.1768000 0.5293000 
1 1 1   -4   10    2 o   17.300   0.1633   17.060   0.2118   17.540   0.2487 -0.4780000 0.3267000 
1 1 1   -4   10    3 o   23.880   0.1582   24.090   0.2242   23.670   0.2234 0.4171000 0.3165000 
1 1 1   -4   10    4 o   3.7140   0.5031   3.8840   0.7258   3.5440   0.6968 0.3394000 1.006000 
1 1 1   -4   10    5 o   6.0810   0.3211   6.4690   0.4672   5.6930   0.4406 0.7756000 0.6422000 
1 1 1   -4   10    6 o   31.720   0.2146   31.990   0.3047   31.450   0.3022 0.5370000 0.4292000 
1 1 1   -4   10    7 o   28.820   0.2045   28.580   0.2877   29.070   0.2906 -0.4934000 0.4089000 
1 1 1   -4   10    8 o   30.870   0.2143   30.850   0.3024   30.880   0.3038 -0.3371000E-01 0.4287000 
1 1 1   -4   10    9 o   40.710   0.2588   40.710   0.3658   40.710   0.3662 0.2552000E-02 0.5176000 
1 1 1   -4   10   10 o   13.900   0.2109   13.850   0.2937   13.960   0.3027 -0.1022000 0.4218000 
1 1 1   -4   10   11 o   11.580   0.2394   11.230   0.3408   11.930   0.3363 -0.6948000 0.4788000 
1 1 1   -4   10   12 o   40.380   0.2614   40.450   0.3707   40.310   0.3687 0.1467000 0.5228000 
1 1 1   -4   10   13 o   48.250   0.3706   48.480   0.5267   48.020   0.5215 0.4531000 0.7412000 
1 1 1   -4   10   14 o   21.110   0.2673   21.410   0.3756   20.810   0.3803 0.6006000 0.5345000 
1 1 1   -4   10   15 o   15.010   0.2723   15.510   0.4075   14.510   0.3613 0.9952000 0.5446000 
1 1 1   -4   10   16 o   33.280   0.2474   33.220   0.3517   33.340   0.3479 -0.1168000 0.4947000 
1 1 1   -4   10   17 o   14.210   0.2862   14.500   0.4079   13.920   0.4015 0.5796000 0.5723000 
1 1 1   -4   10   18 o   27.130   0.2323   27.380   0.3323   26.890   0.3246 0.4892000 0.4646000 
1 1 1   -4   10   19 o   13.620   0.3442   12.900   0.5161   14.340   0.4556 -1.441000 0.6884000 
1 1 1   -4   10   20 o   8.5260   0.4376   9.2980   0.4962   7.7550   0.7211 1.544000 0.8753000 
1 1 1   -4   10   21 o   17.750   0.2386   17.680   0.3358   17.810   0.3389 -0.1368000 0.4771000 
1 1 1   -4   10   22 o   6.4120   0.5091   7.0030   0.6551   5.8210   0.7794 1.182000 1.018000 
1 1 1   -4   10   23 o   14.100   0.2648   14.220   0.3702   13.970   0.3788 0.2525000 0.5297000 
1 1 1   -4   10   24 o   10.010   0.3356   9.5910   0.4848   10.430   0.4641 -0.8382000 0.6711000 
1 1 1   -4   10   25 o   6.2180   0.5288   5.7180   0.7960   6.7170   0.6964 -0.9987000 1.058000 
1 1 1   -4   10   26 o   4.0020   0.7029   5.1010   0.8879   2.9030   1.0900 2.198000 1.406000 
1 1 1   -4   10   27 o   6.8370   0.5687   7.0070   0.6939   6.6670   0.9011 0.3402000 1.137000 
1 1 1   -4   10   28 o   8.5680   0.4618   8.4300   0.7255   8.7060   0.5715 -0.2760000 0.9236000 
1 1 1   -4   10   29 o   3.1550   0.7387   3.9070   1.0440   2.4040   1.0450 1.503000 1.477000 
1 1 1   -4   10   30 o   2.8070   0.7568   2.1910   0.9687   3.4230   1.1630 -1.232000 1.514000 
1 1 1   -4   10   31 o   2.8170   0.7187   1.7540   0.8420   3.8790   1.1650 -2.125000 1.437000 
1 1 1   -4   10   32 o   3.0260   0.9221   2.5680   1.1560   3.4830   1.4370 -0.9144000 1.844000 
1 1 1   -4   12    1 o   15.810   0.1682   15.860   0.2374   15.770   0.2382 0.9571000E-01 0.3363000 
1 1 1   -4   12    2 o   14.220   0.1898   14.160   0.2858   14.280   0.2498 -0.1132000 0.3796000 
1 1 1   -4   12    3 o   17.620   0.1657   17.690   0.2329   17.550   0.2357 0.1339000 0.3314000 
1 1 1   -4   12    4 o   48.960   0.2605   48.690   0.3663   49.220   0.3705 -0.5233000 0.5210000 
1 1 1   -4   12    5 o   43.640   0.2568   43.750   0.3888   43.540   0.3356 0.2135000 0.5136000 
1 1 1   -4   12    6 o   10.260   0.3281   11.400   0.4096   9.1230   0.5127 2.274000 0.6562000 
1 1 1   -4   12    7 o   16.850   0.1996   16.700   0.2831   17.000   0.2814 -0.2962000 0.3992000 
1 1 1   -4   12    8 o   43.100   0.2733   43.470   0.3891   42.730   0.3839 0.7330000 0.5466000 
1 1 1   -4   12    9 o   28.280   0.2151   28.160   0.3034   28.400   0.3049 -0.2469000 0.4302000 
1 1 1   -4   12   10 o   28.120   0.2670   28.660   0.3834   27.590   0.3717 1.073000 0.5341000 
1 1 1   -4   12   11 o   31.470   0.2850   31.470   0.3983   31.460   0.4078 0.1182000E-01 0.5701000 
1 1 1   -4   12   12 o   8.3380   0.4715   7.9660   0.6487   8.7100   0.6845 -0.7431000 0.9430000 
1 1 1   -4   12   13 o   45.110   0.3231   45.100   0.4989   45.120   0.4108 -0.2539000E-01 0.6463000 
1 1 1   -4   12   14 o   5.3590   0.6499   5.0260   0.9811   5.6930   0.8525 -0.6666000 1.300000 
1 1 1   -4   12   15 o   24.420   0.2320   24.210   0.3296   24.630   0.3266 -0.4188000 0.4640000 
1 1 1   -4   12   16 f   38.130   0.2942   38.300   0.4553   37.950   0.3728 0.3542000 0.5884000 
1 1 1   -4   12   17 o   26.790   0.2343   26.940   0.3316   26.630   0.3312 0.3119000 0.4687000 
1 1 1   -4   12   18 o   2.9480   0.8345   2.5040   1.1210   3.3930   1.2360 -0.8895000 1.669000 
1 1 1   -4   12   19 o   17.120   0.2694   17.300   0.3477   16.930   0.4115 0.3719000 0.5387000 
1 1 1   -4   12   20 o   7.9340   0.4285   7.8990   0.6163   7.9690   0.5957 -0.6987000E-01 0.8571000 
1 1 1   -4   12   21 o   13.830   0.2757   13.620   0.4002   14.050   0.3795 -0.4356000 0.5515000 
1 1 1   -4   12   22 o   7.8570   0.4233   7.3620   0.6389   8.3520   0.5555 -0.9901000 0.8466000 
1 1 1   -4   12   23 o   10.660   0.3253   11.350   0.4443   9.9800   0.4752 1.368000 0.6506000 
1 1 1   -4   12   24 o   3.9600   0.7259   4.8180   0.9466   3.1020   1.1010 1.716000 1.452000 
1 1 1   -4   12   25 o   7.0900   0.4483   7.1350   0.6229   7.0450   0.6448 0.8949000E-01 0.8965000 
1 1 1   -4   12   26 o   2.2070   0.7226   1.9270   0.9249   2.4870   1.1110 -0.5604000 1.445000 
1 1 1   -4   12   27 o   2.8940   0.8055   2.4410   1.1420   3.3480   1.1370 -0.9068000 1.611000 
1 1 1   -4   12   28 o   3.2250   0.7545   4.1400   1.1060   2.3110   1.0270 1.829000 1.509000 
1 1 1   -4   12   29 o   7.2810   0.4868   7.3770   0.6761   7.1850   0.7005 0.1915000 0.9735000 
1 1 1   -4   12   30 o   4.6880   0.7639   4.2050   1.0320   5.1710   1.1270 -0.9661000 1.528000 
1 1 1   -4   12   31 o   2.0020   0.6776   1.9500   0.9344   2.0540   0.9817 -0.1037000 1.355000 
1 1 1   -4   14    1 o   16.880   0.1797   16.910   0.2520   16.850   0.2563 0.6133000E-01 0.3594000 
1 1 1   -4   14    2 o   10.560   0.2481   11.070   0.3628   10.050   0.3386 1.012000 0.4963000 
1 1 1   -4   14    3 o   17.360   0.1798   17.260   0.2535   17.460   0.2550 -0.2032000 0.3595000 
1 1 1   -4   14    4 o   57.780   0.3029   57.520   0.4265   58.040   0.4303 -0.5274000 0.6058000 
1 1 1   -4   14    5 o   45.790   0.2700   45.650   0.4071   45.920   0.3548 -0.2690000 0.5400000 
1 1 1   -4   14    6 o   24.440   0.1969   24.650   0.2975   24.240   0.2582 0.4081000 0.3939000 
1 1 1   -4   14    7 o   21.930   0.2345   21.880   0.3610   21.980   0.2993 -0.9540000E-01 0.4689000 
1 1 1   -4   14    8 o   29.700   0.2537   29.740   0.3932   29.650   0.3209 0.9131000E-01 0.5075000 
1 1 1   -4   14    9 o   36.750   0.4383  ?   ?    36.750   0.4383      ?      ? 
1 1 1   -4   14   10 o   20.690   0.2427   21.260   0.3702   20.120   0.3138 1.138000 0.4853000 
1 1 1   -4   14   11 o   15.210   0.2773   15.220   0.4162   15.200   0.3667 0.1181000E-01 0.5547000 
1 1 1   -4   14   12 o   26.210   0.2345   26.090   0.3276   26.340   0.3355 -0.2515000 0.4689000 
1 1 1   -4   14   13 o   7.4170   0.4741   7.8340   0.6235   6.9990   0.7142 0.8352000 0.9481000 
1 1 1   -4   14   14 o   5.6780   0.6167   5.4690   0.8954   5.8860   0.8483 -0.4171000 1.233000 
1 1 1   -4   14   15 o   23.520   0.2343   23.180   0.3313   23.860   0.3315 -0.6744000 0.4687000 
1 1 1   -4   14   16 o   11.870   0.3896   11.540   0.5844   12.200   0.5152 -0.6619000 0.7791000 
1 1 1   -4   14   17 o   7.2110   0.5105   7.6640   0.6244   6.7580   0.8079 0.9066000 1.021000 
1 1 1   -4   14   18 o   17.520   0.2508   17.930   0.3469   17.110   0.3624 0.8193000 0.5017000 
1 1 1   -4   14   19 o   11.810   0.3092   11.680   0.4398   11.940   0.4348 -0.2595000 0.6185000 
1 1 1   -4   14   20 o   4.3280   0.7411   4.3410   1.0350   4.3150   1.0610 0.2570000E-01 1.482000 
1 1 1   -4   14   21 o   7.5910   0.4316   7.5340   0.6235   7.6480   0.5971 -0.1133000 0.8633000 
1 1 1   -4   14   22 o   5.6540   0.5794   5.2670   0.8635   6.0410   0.7728 -0.7736000 1.159000 
1 1 1   -4   14   23 o   14.740   0.2685   14.960   0.3793   14.530   0.3801 0.4272000 0.5370000 
1 1 1   -4   14   24 o   11.570   0.3093   11.570   0.4414   11.570   0.4335 -0.3826000E-02 0.6187000 
1 1 1   -4   14   25 o   7.8170   0.5558   7.6330   0.8023   8.0000   0.7694 -0.3664000 1.112000 
1 1 1   -4   14   26 o   7.7310   0.4879   8.0770   0.7198   7.3850   0.6589 0.6927000 0.9758000 
1 1 1   -4   14   27 o   4.2150   0.7352   5.4160   0.9403   3.0140   1.1310 2.402000 1.470000 
1 1 1   -4   14   28 o   3.4370   0.8272   3.6640   1.1850   3.2110   1.1540 0.4530000 1.654000 
1 1 1   -4   14   29 o   2.6680   0.7744   2.3260   1.0420   3.0100   1.1460 -0.6846000 1.549000 
1 1 1   -4   14   30 o   3.8010   0.9428   3.8020   1.3870   3.8000   1.2780 0.2265000E-02 1.886000 
1 1 1   -4   16    1 o   7.5890   0.4798   6.5700   0.7333   8.6080   0.6190 -2.038000 0.9596000 
1 1 1   -4   16    2 o   40.040   0.3263   40.550   0.4625   39.530   0.4604 1.022000 0.6526000 
1 1 1   -4   16    3 o   27.410   0.2715   27.710   0.3790   27.100   0.3890 0.6114000 0.5431000 
1 1 1   -4   16    4 o   29.260   0.2267   29.480   0.3197   29.040   0.3215 0.4372000 0.4534000 
1 1 1   -4   16    5 o   19.370   0.2446   19.300   0.3772   19.450   0.3116 -0.1567000 0.4893000 
1 1 1   -4   16    6 o   7.7430   0.4413   8.0940   0.6519   7.3920   0.5949 0.7013000 0.8825000 
1 1 1   -4   16    7 o   12.730   0.2938   12.680   0.4730   12.790   0.3487 -0.1165000 0.5876000 
1 1 1   -4   16    8 o   19.790   0.2156   19.710   0.3245   19.880   0.2840 -0.1742000 0.4313000 
1 1 1   -4   16    9 o   24.000   0.2154   23.970   0.3245   24.040   0.2833 -0.7450000E-01 0.4308000 
1 1 1   -4   16   10 o   26.750   0.2179   26.780   0.3289   26.710   0.2859 0.7210000E-01 0.4358000 
1 1 1   -4   16   11 o   20.010   0.2722   19.760   0.4297   20.260   0.3342 -0.4965000 0.5444000 
1 1 1   -4   16   12 o   20.030   0.2405   19.990   0.3386   20.080   0.3417 -0.9493000E-01 0.4810000 
1 1 1   -4   16   13 o   13.350   0.3592   13.360   0.5195   13.340   0.4964 0.1538000E-01 0.7185000 
1 1 1   -4   16   14 o   9.6900   0.4634   9.6370   0.6605   9.7440   0.6501 -0.1068000 0.9268000 
1 1 1   -4   16   15 o   8.6070   0.5528   8.6070   0.5528  ?   ?       ?      ? 
1 1 1   -4   16   16 o   15.260   0.2603   15.290   0.3685   15.220   0.3679 0.7322000E-01 0.5207000 
1 1 1   -4   16   17 o   9.7100   0.3513   9.8990   0.4938   9.5200   0.4998 0.3796000 0.7026000 
1 1 1   -4   16   18 o   5.0060   0.6617   4.7760   0.9763   5.2350   0.8934 -0.4592000 1.323000 
1 1 1   -4   16   19 o   3.2770   0.7362   2.3190   1.0120   4.2340   1.0700 -1.915000 1.472000 
1 1 1   -4   16   20 o   5.1500   0.6507   5.4830   0.8344   4.8170   0.9986 0.6662000 1.301000 
1 1 1   -4   16   21 o   4.3310   0.7441   4.4560   1.0400   4.2060   1.0650 0.2492000 1.488000 
1 1 1   -4   16   22 o   4.2630   0.7261   5.1230   0.9254   3.4040   1.1190 1.718000 1.452000 
1 1 1   -4   16   23 o   3.4230   0.8100   3.6730   1.1510   3.1730   1.1400 0.4994000 1.620000 
1 1 1   -4   16   24 o   2.4570   0.7812   2.3170   1.0570   2.5960   1.1510 -0.2789000 1.562000 
1 1 1   -4   16   25 o   6.3250   0.6629   4.7930   1.1750   7.8570   0.6142 -3.064000 1.326000 
1 1 1   -4   16   26 o   3.8440   0.8137   3.7010   1.1720   3.9870   1.1290 -0.2855000 1.627000 
1 1 1   -4   16   27 o   3.2720   0.8063   2.8130   1.1250   3.7320   1.1550 -0.9183000 1.613000 
1 1 1   -4   16   28 o   5.9280   0.7687   6.7640   1.0120   5.0920   1.1570 1.671000 1.537000 
1 1 1   -4   16   29 o   4.4310   0.7927   5.0460   1.0580   3.8160   1.1810 1.230000 1.585000 
1 1 1   -4   18    1 o   36.930   0.2260   36.920   0.3185   36.940   0.3208 -0.1793000E-01 0.4521000 
1 1 1   -4   18    2 o   16.890   0.2166   16.870   0.3054   16.900   0.3071 -0.2884000E-01 0.4331000 
1 1 1   -4   18    3 o   45.790   0.2584   45.440   0.3629   46.140   0.3679 -0.6958000 0.5168000 
1 1 1   -4   18    4 o   25.210   0.2007   25.010   0.2830   25.410   0.2846 -0.4006000 0.4014000 
1 1 1   -4   18    5 o   10.540   0.3159   10.210   0.4880   10.870   0.4012 -0.6537000 0.6317000 
1 1 1   -4   18    6 o   20.010   0.2237   19.970   0.3402   20.050   0.2905 -0.8047000E-01 0.4473000 
1 1 1   -4   18    7 o   9.5930   0.3491   9.2470   0.5431   9.9380   0.4389 -0.6914000 0.6983000 
1 1 1   -4   18    8 o   2.2770   0.7079   2.3600   1.0390   2.1930   0.9617 0.1667000 1.416000 
1 1 1   -4   18    9 o   7.6910   0.5362   6.9070   0.8979   8.4750   0.5863 -1.567000 1.072000 
1 1 1   -4   18   10 o   27.670   0.2694   27.870   0.4201   27.470   0.3372 0.3979000 0.5387000 
1 1 1   -4   18   11 o   5.7010   0.5821   5.9740   0.7766   5.4290   0.8674 0.5451000 1.164000 
1 1 1   -4   18   12 o   29.670   0.2695   29.610   0.3431   29.720   0.4157 -0.1011000 0.5390000 
1 1 1   -4   18   13 o   9.8670   0.3626   10.080   0.4981   9.6530   0.5271 0.4272000 0.7252000 
1 1 1   -4   18   14 o   10.320   0.3499   9.8240   0.4961   10.810   0.4935 -0.9830000 0.6997000 
1 1 1   -4   18   15 o   8.0510   0.4360   7.4970   0.6309   8.6060   0.6019 -1.109000 0.8720000 
1 1 1   -4   18   16 o   5.3080   0.6686   6.5820   0.6927   4.0330   1.1440 2.550000 1.337000 
1 1 1   -4   18   17 o   10.120   0.3568   9.2520   0.5357   10.990   0.4715 -1.741000 0.7136000 
1 1 1   -4   18   18 o   2.8010   0.7446   3.3600   1.1120   2.2420   0.9904 1.118000 1.489000 
1 1 1   -4   18   19 o   2.0400   0.6640   1.8690   0.8842   2.2100   0.9909 -0.3407000 1.328000 
1 1 1   -4   18   20 o   8.7290   0.3979   8.8270   0.5614   8.6310   0.5639 0.1959000 0.7957000 
1 1 1   -4   18   21 f   2.4130   0.7127   2.9510   1.1110   1.8760   0.8937 1.075000 1.425000 
1 1 1   -4   18   22 o   4.8550   0.8422   4.3830   1.2130   5.3270   1.1690 -0.9433000 1.684000 
1 1 1   -4   18   23 o   4.4520   0.7930   4.2200   1.2290   4.6830   1.0020 -0.4624000 1.586000 
1 1 1   -4   18   24 o   2.8490   0.7757   3.7840   1.2620   1.9130   0.9029 1.871000 1.551000 
1 1 1   -4   18   25 o   3.2010   0.8160   3.4970   1.1800   2.9050   1.1270 0.5914000 1.632000 
1 1 1   -4   18   26 o   3.9690   0.8092   4.3720   1.1240   3.5660   1.1650 0.8052000 1.618000 
1 1 1   -4   18   27 o   2.6690   0.8302   2.8470   1.2300   2.4920   1.1150 0.3550000 1.660000 
1 1 1   -4   18   28 o   2.1130   0.7165   2.0310   0.9862   2.1950   1.0400 -0.1644000 1.433000 
1 1 1   -4   20    1 o   36.170   0.2616   36.080   0.3701   36.250   0.3699 -0.1624000 0.5233000 
1 1 1   -4   20    2 o   21.620   0.2376   21.290   0.3389   21.950   0.3331 -0.6623000 0.4751000 
1 1 1   -4   20    3 o   13.860   0.2871   14.020   0.4024   13.710   0.4095 0.3130000 0.5741000 
1 1 1   -4   20    4 o   21.770   0.2919   21.810   0.4197   21.730   0.4058 0.7330000E-01 0.5838000 
1 1 1   -4   20    5 o   13.840   0.3526   13.530   0.5202   14.160   0.4761 -0.6273000 0.7052000 
1 1 1   -4   20    6 o   2.4690   0.7391   2.2030   0.9903   2.7340   1.0980 -0.5311000 1.478000 
1 1 1   -4   20    7 o   7.6200   0.4570   8.1820   0.6099   7.0580   0.6807 1.124000 0.9139000 
1 1 1   -4   20    8 o   5.0920   0.6686   5.2590   0.9224   4.9260   0.9683 0.3330000 1.337000 
1 1 1   -4   20    9 o   8.0080   0.4012   8.1040   0.5911   7.9120   0.5425 0.1925000 0.8023000 
1 1 1   -4   20   10 o   9.5540   0.3363   9.4880   0.5039   9.6200   0.4455 -0.1324000 0.6726000 
1 1 1   -4   20   11 o   6.4380   0.4968   5.6530   0.7996   7.2230   0.5899 -1.570000 0.9937000 
1 1 1   -4   20   12 f   10.660   0.3303   11.210   0.5047   10.110   0.4262 1.100000 0.6606000 
1 1 1   -4   20   13 o   23.260   0.2212   23.420   0.3327   23.110   0.2916 0.3119000 0.4424000 
1 1 1   -4   20   14 o   13.350   0.2892   13.180   0.4133   13.510   0.4045 -0.3264000 0.5784000 
1 1 1   -4   20   15 o   4.7380   0.6917   4.5020   1.0120   4.9730   0.9434 -0.4702000 1.383000 
1 1 1   -4   20   16 o   8.8200   0.4043   8.8950   0.5531   8.7450   0.5900 0.1497000 0.8087000 
1 1 1   -4   20   17 o   6.5490   0.5555   7.3020   0.6573   5.7960   0.8957 1.506000 1.111000 
1 1 1   -4   20   18 o   3.7180   0.7761   3.0740   1.1170   4.3620   1.0770 -1.289000 1.552000 
1 1 1   -4   20   19 o   3.5620   0.9211   3.3770   1.2450   3.7470   1.3580 -0.3700000 1.842000 
1 1 1   -4   20   20 f   3.2560   0.8970   3.1400   1.2330   3.3720   1.3030 -0.2319000 1.794000 
1 1 1   -4   20   21 o   3.6300   0.8455   3.7080   1.2320   3.5520   1.1580 0.1559000 1.691000 
1 1 1   -4   20   22 o   4.8730   0.7666   4.4220   1.2180   5.3250   0.9315 -0.9027000 1.533000 
1 1 1   -4   20   23 o   7.8190   0.4618   7.9820   0.6382   7.6560   0.6677 0.3263000 0.9236000 
1 1 1   -4   20   24 o   3.0420   0.7041   4.3430   1.1230   1.7410   0.8495 2.602000 1.408000 
1 1 1   -4   20   25 o   5.6990   0.8099   5.2540   1.2580   6.1450   1.0210 -0.8906000 1.620000 
1 1 1   -4   20   26 o   2.4740   0.7565   2.4020   1.0540   2.5460   1.0850 -0.1438000 1.513000 
1 1 1   -4   22    1 o   14.750   0.2434   14.950   0.3392   14.550   0.3491 0.3996000 0.4867000 
1 1 1   -4   22    2 o   14.680   0.2418   14.630   0.3431   14.730   0.3409 -0.9313000E-01 0.4837000 
1 1 1   -4   22    3 o   15.920   0.2310   16.310   0.3193   15.520   0.3339 0.7936000 0.4620000 
1 1 1   -4   22    4 o   10.300   0.3065   10.680   0.4214   9.9320   0.4452 0.7443000 0.6130000 
1 1 1   -4   22    5 o   2.4840   0.7174   2.5770   1.0270   2.3920   1.0020 0.1855000 1.435000 
1 1 1   -4   22    6 o   8.2090   0.3897   8.5620   0.5638   7.8560   0.5381 0.7062000 0.7794000 
1 1 1   -4   22    7 o   7.9440   0.4195   7.2780   0.6762   8.6100   0.4969 -1.332000 0.8391000 
1 1 1   -4   22    8 o   14.730   0.2638   14.560   0.4060   14.900   0.3370 -0.3442000 0.5276000 
1 1 1   -4   22    9 f   9.7290   0.3406   9.8710   0.5043   9.5880   0.4578 0.2836000 0.6811000 
1 1 1   -4   22   10 o   3.0200   0.7387   2.5420   1.0530   3.4980   1.0360 -0.9563000 1.477000 
1 1 1   -4   22   11 o   9.6390   0.3371   9.6600   0.5044   9.6180   0.4474 0.4207000E-01 0.6743000 
1 1 1   -4   22   12 o   3.2460   0.7550   3.0000   1.0920   3.4920   1.0430 -0.4914000 1.510000 
1 1 1   -4   22   13 o   3.9260   0.6791   2.8610   1.0850   4.9910   0.8174 -2.129000 1.358000 
1 1 1   -4   22   14 o   9.0330   0.3588   8.9600   0.5381   9.1070   0.4748 -0.1466000 0.7176000 
1 1 1   -4   22   15 o   2.9500   0.6791   1.9710   0.9221   3.9290   0.9973 -1.958000 1.358000 
1 1 1   -4   22   16 o   6.9520   0.6340   7.2170   0.8276   6.6870   0.9607 0.5296000 1.268000 
1 1 1   -4   22   17 o   3.1950   0.8338   3.9120   1.2200   2.4780   1.1360 1.434000 1.668000 
1 1 1   -4   22   18 o   6.3780   0.5532   6.3290   0.7456   6.4270   0.8175 -0.9738000E-01 1.106000 
1 1 1   -4   22   19 o   4.8020   0.8084   5.0960   1.1830   4.5080   1.1020 0.5873000 1.617000 
1 1 1   -4   22   20 o   9.9510   0.3850   9.6470   0.5625   10.260   0.5259 -0.6084000 0.7701000 
1 1 1   -4   22   21 o   2.7000   0.7867   2.4570   1.0680   2.9430   1.1550 -0.4861000 1.573000 
1 1 1   -4   22   22 o   2.1790   0.6820   2.9070   1.1500   1.4510   0.7330 1.456000 1.364000 
1 1 1   -4   22   23 o   7.0970   0.6669   6.9610   0.9835   7.2330   0.9009 -0.2715000 1.334000 
1 1 1   -4   22   24 o   6.5110   0.5738   6.1030   0.8455   6.9190   0.7761 -0.8162000 1.148000 
1 1 1   -4   24    1 o   2.7830   0.7385   2.5220   1.0210   3.0440   1.0680 -0.5218000 1.477000 
1 1 1   -4   24    2 o   5.9580   0.5067   5.6590   0.7507   6.2560   0.6809 -0.5964000 1.013000 
1 1 1   -4   24    3 o   11.260   0.2834   10.930   0.4098   11.600   0.3917 -0.6746000 0.5669000 
1 1 1   -4   24    4 o   4.3570   0.6630   5.0340   0.8180   3.6790   1.0440 1.355000 1.326000 
1 1 1   -4   24    5 o   7.3980   0.3943   7.5170   0.5442   7.2800   0.5707 0.2368000 0.7886000 
1 1 1   -4   24    6 o   10.190   0.3246   10.450   0.4750   9.9320   0.4425 0.5166000 0.6492000 
1 1 1   -4   24    7 o   10.700   0.3183   11.380   0.4681   10.020   0.4316 1.359000 0.6367000 
1 1 1   -4   24    8 o   9.1190   0.3593   9.4180   0.5345   8.8200   0.4803 0.5980000 0.7186000 
1 1 1   -4   24    9 f   5.4770   0.6143   4.7340   1.0270   6.2190   0.6746 -1.485000 1.229000 
1 1 1   -4   24   10 f   4.3070   0.6860   3.1810   1.1370   5.4330   0.7682 -2.252000 1.372000 
1 1 1   -4   24   11 o   2.7660   0.7523   2.6280   1.0670   2.9040   1.0610 -0.2767000 1.505000 
1 1 1   -4   24   12 o   7.0270   0.5061   7.8600   0.6143   6.1940   0.8045 1.666000 1.012000 
1 1 1   -4   24   13 o   3.0570   0.8079   3.6510   1.2260   2.4630   1.0520 1.187000 1.616000 
1 1 1   -4   24   14 o   5.1500   0.7354   4.0250   1.2470   6.2750   0.7800 -2.249000 1.471000 
1 1 1   -4   24   15 f   4.9120   0.7643   4.8170   1.1510   5.0060   1.0060 -0.1884000 1.529000 
1 1 1   -4   24   16 o   7.3090   0.5267   7.7510   0.7482   6.8660   0.7414 0.8853000 1.053000 
1 1 1   -4   24   17 o   7.0680   0.4760   7.2440   0.7065   6.8920   0.6381 0.3513000 0.9520000 
1 1 1   -4   24   18 o   2.2580   0.7160   2.5300   1.0840   1.9850   0.9356 0.5455000 1.432000 
1 1 1   -4   24   19 o   5.5320   0.6851   4.5790   1.1050   6.4840   0.8099 -1.905000 1.370000 
1 1 1   -4   24   20 o   4.7200   0.9191   4.6310   1.3370   4.8090   1.2610 -0.1778000 1.838000 
1 1 1   -4   24   21 o   2.6720   0.8354   2.5990   1.1760   2.7450   1.1870 -0.1466000 1.671000 
1 1 1   -4   24   22 o   3.9040   0.9017   3.8140   1.2110   3.9950   1.3360 -0.1811000 1.803000 
1 1 1   -4   26    1 o   9.2730   0.3330   9.1420   0.4727   9.4040   0.4693 -0.2626000 0.6661000 
1 1 1   -4   26    2 o   7.6620   0.3985   7.4170   0.5788   7.9080   0.5479 -0.4913000 0.7970000 
1 1 1   -4   26    3 o   3.5890   0.7415   3.5350   1.0550   3.6420   1.0420 -0.1070000 1.483000 
1 1 1   -4   26    4 o   4.6240   0.6408   4.3770   0.9353   4.8710   0.8763 -0.4937000 1.282000 
1 1 1   -4   26    5 o   5.7300   0.5166   5.7470   0.7196   5.7120   0.7414 0.3500000E-01 1.033000 
1 1 1   -4   26    6 o   14.360   0.3159   14.820   0.4760   13.900   0.4153 0.9174000 0.6318000 
1 1 1   -4   26    7 o   4.4090   0.7726   3.4050   1.2480   5.4130   0.9118 -2.008000 1.545000 
1 1 1   -4   26    8 o   5.4000   0.7055   5.1390   1.1090   5.6610   0.8726 -0.5220000 1.411000 
1 1 1   -4   26    9 o   5.4860   0.7167   4.8240   1.1790   6.1480   0.8147 -1.324000 1.433000 
1 1 1   -4   26   10 f   2.4770   0.7571   2.7100   1.1430   2.2450   0.9938 0.4649000 1.514000 
1 1 1   -4   26   11 o   5.7170   0.6828   5.3400   1.1040   6.0950   0.8040 -0.7552000 1.366000 
1 1 1   -4   26   12 o   8.0460   0.4844   8.1770   0.7262   7.9150   0.6412 0.2624000 0.9688000 
1 1 1   -4   26   13 o   8.8300   0.3861   8.8660   0.5632   8.7950   0.5283 0.7119000E-01 0.7722000 
1 1 1   -4   26   14 o   4.3750   0.7390   4.4180   1.0940   4.3310   0.9937 0.8692000E-01 1.478000 
1 1 1   -4   26   15 o   3.5570   0.7777   3.1160   1.1420   3.9980   1.0550 -0.8821000 1.555000 
1 1 1   -4   26   16 o   2.2540   0.7040   2.1540   0.9838   2.3540   1.0070 -0.1999000 1.408000 
1 1 1   -4   26   17 o   2.1250   0.7099   2.1510   1.0290   2.0980   0.9780 0.5299000E-01 1.420000 
1 1 1   -4   26   18 o   2.2940   0.7472   2.2810   1.0670   2.3070   1.0460 -0.2597000E-01 1.494000 
1 1 1   -4   26   19 o   2.5830   0.7705   2.6950   1.1050   2.4710   1.0740 0.2238000 1.541000 
1 1 1   -4   28    1 o   4.9620   0.6185   4.5180   0.9524   5.4060   0.7894 -0.8881000 1.237000 
1 1 1   -4   28    2 o   4.5920   0.6629   4.8770   0.8891   4.3070   0.9836 0.5702000 1.326000 
1 1 1   -4   28    3 o   2.6380   0.7278   2.9840   1.0720   2.2920   0.9848 0.6920000 1.456000 
1 1 1   -4   28    4 o   2.6040   0.7342   2.7560   1.0580   2.4520   1.0180 0.3037000 1.468000 
1 1 1   -4   28    5 o   1.7450   0.5882   1.6320   0.7889   1.8580   0.8726 -0.2259000 1.176000 
1 1 1   -4   28    6 o   2.1760   0.6909   2.2960   1.0200   2.0570   0.9323 0.2384000 1.382000 
1 1 1   -4   28    7 o   6.0930   0.5542   6.8180   0.7504   5.3680   0.8157 1.449000 1.108000 
1 1 1   -4   28    8 o   3.1880   0.7583   2.5600   1.0890   3.8170   1.0560 -1.256000 1.517000 
1 1 1   -4   28    9 o   3.8830   0.7805   4.5120   1.1020   3.2540   1.1050 1.257000 1.561000 
1 1 1   -4   28   10 o   3.7150   0.7536   3.0780   1.1430   4.3520   0.9821 -1.274000 1.507000 
1 1 1   -4   28   11 o   4.1660   0.7634   3.9610   1.1560   4.3700   0.9976 -0.4086000 1.527000 
1 1 1   -4   28   12 o   4.8020   0.8339   4.5090   1.3080   5.0950   1.0350 -0.5853000 1.668000 
1 1 1   -4   28   13 o   2.2540   0.7316   2.1270   1.0160   2.3820   1.0530 -0.2545000 1.463000 
1 1 1   -4   28   14 o   2.1050   0.6995   2.5440   1.1330   1.6660   0.8205 0.8777000 1.399000 
1 1 1   -4   28   15 o   2.4410   0.7305   1.8770   0.8967   3.0040   1.1530 -1.127000 1.461000 
1 1 1   -4   30    1 o   3.1320   0.7847   3.3360   1.1240   2.9270   1.0950 0.4088000 1.569000 
1 1 1   -4   30    2 o   3.9440   0.7582   4.2060   1.0590   3.6820   1.0850 0.5240000 1.516000 
1 1 1   -4   30    3 o   2.7750   0.8020   2.9390   1.1690   2.6110   1.0980 0.3271000 1.604000 
1 1 1   -4   30    4 o   3.6160   0.7803   2.6040   1.1110   4.6290   1.0960 -2.025000 1.561000 
1 1 1   -4   30    5 o   3.4730   0.8174   2.6160   1.1690   4.3300   1.1430 -1.714000 1.635000 
1 1 1   -4   30    6 o   2.5650   0.7887   2.4290   1.1180   2.7020   1.1130 -0.2724000 1.577000 
1 1 1   -4   30    7 o   2.3520   0.7520   2.1140   1.0240   2.5900   1.1020 -0.4769000 1.504000 
1 1 1   -4   30    8 o   2.8680   0.8118   3.0370   1.1810   2.6990   1.1140 0.3381000 1.624000 
1 1 1   -4   30    9 o   3.9690   0.7884   3.1660   1.1800   4.7720   1.0460 -1.606000 1.577000 
1 1 1   -4   30   10 o   1.6370   0.5703   1.6210   0.8012   1.6520   0.8119 -0.3121000E-01 1.141000 
1 1 1   -3    1    1 o   48.400   0.2782   48.140   0.3914   48.660   0.3955 -0.5210000 0.5564000 
1 1 1   -3    1    2 o   32.130   0.1871   32.050   0.2639   32.210   0.2653 -0.1585000 0.3742000 
1 1 1   -3    1    3 o   47.800   0.2761   47.810   0.3905   47.800   0.3904 0.1182000E-01 0.5522000 
1 1 1   -3    1    4 o   32.990   0.2387   32.330   0.3317   33.650   0.3435 -1.320000 0.4775000 
1 1 1   -3    1    5 o   16.400   0.1434   16.110   0.1990   16.680   0.2064 -0.5650000 0.2867000 
1 1 1   -3    1    6 o   39.340   0.2178   39.320   0.2849   39.360   0.3294 -0.4174000E-01 0.4355000 
1 1 1   -3    1    7 o   34.540   0.1953   34.800   0.2577   34.280   0.2935 0.5236000 0.3905000 
1 1 1   -3    1    8 o   39.720   0.2061   39.910   0.2928   39.520   0.2902 0.3885000 0.4122000 
1 1 1   -3    1    9 o   25.230   0.1695   25.210   0.2391   25.240   0.2402 -0.3056000E-01 0.3389000 
1 1 1   -3    1   10 o   41.460   0.3068   41.270   0.4323   41.640   0.4355 -0.3753000 0.6136000 
1 1 1   -3    1   11 o   12.420   0.1399   12.540   0.1968   12.310   0.1990 0.2256000 0.2799000 
1 1 1   -3    1   12 o   16.290   0.1382   16.430   0.1949   16.140   0.1960 0.2847000 0.2764000 
1 1 1   -3    1   13 o   29.000   0.1700   28.820   0.2395   29.180   0.2413 -0.3589000 0.3400000 
1 1 1   -3    1   14 o   32.900   0.1875   32.850   0.2648   32.940   0.2657 -0.9473000E-01 0.3751000 
1 1 1   -3    1   15 o   15.060   0.1794   15.380   0.2333   14.740   0.2726 0.6415000 0.3588000 
1 1 1   -3    1   16 o   12.790   0.2086   12.790   0.2944   12.790   0.2955 -0.5474000E-03 0.4171000 
1 1 1   -3    1   17 o   20.800   0.1826   20.930   0.2578   20.660   0.2586 0.2673000 0.3652000 
1 1 1   -3    1   18 o   20.050   0.2675   19.630   0.3739   20.480   0.3827 -0.8482000 0.5351000 
1 1 1   -3    1   19 o   14.370   0.2578   14.490   0.3342   14.260   0.3925 0.2259000 0.5155000 
1 1 1   -3    1   20 o   14.250   0.2716   14.540   0.3476   13.960   0.4175 0.5814000 0.5432000 
1 1 1   -3    1   21 o   23.050   0.2112   22.850   0.2771   23.240   0.3188 -0.3838000 0.4224000 
1 1 1   -3    1   22 o   19.500   0.3475   19.830   0.4034   19.170   0.5660 0.6603000 0.6951000 
1 1 1   -3    1   23 o   23.100   0.2115   23.140   0.2781   23.050   0.3188 0.9638000E-01 0.4230000 
1 1 1   -3    1   24 o   8.4880   0.3549   8.2390   0.4880   8.7380   0.5154 -0.4987000 0.7097000 
1 1 1   -3    1   25 o   15.730   0.2322   15.780   0.3055   15.670   0.3497 0.1075000 0.4644000 
1 1 1   -3    1   26 o   14.340   0.2454   14.460   0.3233   14.230   0.3692 0.2273000 0.4908000 
1 1 1   -3    1   27 o   8.3240   0.3676   8.5790   0.4789   8.0690   0.5578 0.5099000 0.7352000 
1 1 1   -3    1   28 o   7.3630   0.4124   6.4790   0.6180   8.2470   0.5461 -1.768000 0.8247000 
1 1 1   -3    1   29 o   2.5180   0.7160   2.6370   1.0140   2.3990   1.0110 0.2378000 1.432000 
1 1 1   -3    1   30 o   2.9250   0.8270   3.4020   1.2410   2.4490   1.0930 0.9532000 1.654000 
1 1 1   -3    1   31 o   3.6420   0.7820   3.2800   1.0590   4.0040   1.1510 -0.7239000 1.564000 
1 1 1   -3    1   32 o   1.6020   0.5600   1.6380   0.8053   1.5660   0.7785 0.7252000E-01 1.120000 
1 1 1   -3    1   33 o   2.1760   0.6958   2.6010   1.0990   1.7510   0.8534 0.8501000 1.392000 
1 1 1   -3    1   34 o   2.8840   0.9344   2.5930   1.2390   3.1740   1.3990 -0.5807000 1.869000 
1 1 1   -3    3    1 o   14.090   0.1112   14.230   0.1287   13.950   0.1814 0.2809000 0.2224000 
1 1 1   -3    3    2 o   59.410   0.4207   59.760   0.5985   59.060   0.5913 0.7013000 0.8414000 
1 1 1   -3    3    3 o   33.320   0.2983   33.200   0.4858   33.440   0.3464 -0.2382000 0.5967000 
1 1 1   -3    3    4 o   39.430   0.2599   39.020   0.3993   39.840   0.3329 -0.8199000 0.5199000 
1 1 1   -3    3    5 o   42.760   0.2524   42.690   0.3564   42.830   0.3575 -0.1445000 0.5048000 
1 1 1   -3    3    6 o   48.460   0.2847   48.600   0.4037   48.320   0.4015 0.2820000 0.5694000 
1 1 1   -3    3    7 f  101.600   0.5846  101.300   0.8248  101.900   0.8288 -0.5619000 1.169000 
1 1 1   -3    3    8 o   44.250   0.2641   43.860   0.3707   44.640   0.3763 -0.7793000 0.5283000 
1 1 1   -3    3    9 o   54.460   0.4822   54.350   0.5556   54.570   0.7883 -0.2219000 0.9644000 
1 1 1   -3    3   10 o   34.920   0.2187   35.010   0.3098   34.820   0.3089 0.1889000 0.4375000 
1 1 1   -3    3   11 o   19.210   0.1620   19.080   0.2275   19.330   0.2306 -0.2463000 0.3239000 
1 1 1   -3    3   12 o   8.2030   0.2142   7.9580   0.2876   8.4480   0.3174 -0.4898000 0.4283000 
1 1 1   -3    3   13 o   19.560   0.1616   19.680   0.2105   19.440   0.2454 0.2368000 0.3233000 
1 1 1   -3    3   14 o   27.480   0.1844   27.320   0.2407   27.650   0.2793 -0.3310000 0.3687000 
1 1 1   -3    3   15 o   12.440   0.2044   12.430   0.2658   12.450   0.3105 -0.2310000E-01 0.4087000 
1 1 1   -3    3   16 o   44.310   0.2619   44.080   0.3407   44.530   0.3978 -0.4483000 0.5238000 
1 1 1   -3    3   17 o   35.610   0.2707   35.340   0.3388   35.880   0.4222 -0.5400000 0.5413000 
1 1 1   -3    3   18 o   32.120   0.2348   32.090   0.3297   32.140   0.3344 -0.5292000E-01 0.4697000 
1 1 1   -3    3   19 o   22.600   0.2191   22.710   0.2836   22.490   0.3342 0.2235000 0.4383000 
1 1 1   -3    3   20 o   15.030   0.2583   14.890   0.3382   15.170   0.3905 -0.2808000 0.5166000 
1 1 1   -3    3   21 o   12.630   0.2704   12.750   0.3505   12.500   0.4118 0.2531000 0.5408000 
1 1 1   -3    3   22 o   9.7480   0.5178   10.530   0.5623   8.9660   0.8697 1.563000 1.036000 
1 1 1   -3    3   23 o   25.480   0.2102   25.570   0.2765   25.390   0.3167 0.1785000 0.4204000 
1 1 1   -3    3   24 o   11.380   0.2802   11.670   0.3638   11.090   0.4263 0.5851000 0.5605000 
1 1 1   -3    3   25 o   8.3180   0.3560   7.8570   0.5006   8.7800   0.5065 -0.9227000 0.7121000 
1 1 1   -3    3   26 o   10.160   0.3045   10.310   0.3990   10.010   0.4600 0.2998000 0.6089000 
1 1 1   -3    3   27 o   6.3990   0.4603   6.6900   0.5802   6.1080   0.7148 0.5818000 0.9207000 
1 1 1   -3    3   28 o   8.3160   0.3651   8.7620   0.4633   7.8700   0.5644 0.8924000 0.7301000 
1 1 1   -3    3   29 o   4.0710   0.7945   3.9240   0.9930   4.2180   1.2400 -0.2942000 1.589000 
1 1 1   -3    3   30 o   3.1480   0.7197   1.9450   0.9236   4.3520   1.1040 -2.407000 1.439000 
1 1 1   -3    3   31 o   3.5820   0.7409   4.3950   0.9633   2.7690   1.1260 1.626000 1.482000 
1 1 1   -3    3   32 o   6.7980   0.5050   6.9650   0.6298   6.6300   0.7896 0.3347000 1.010000 
1 1 1   -3    3   33 o   3.4620   0.8549   3.4360   1.2100   3.4880   1.2090 -0.5131000E-01 1.710000 
1 1 1   -3    5    1 o   21.650   0.1277   21.560   0.1800   21.740   0.1812 -0.1886000 0.2554000 
1 1 1   -3    5    2 o   21.520   0.1278   21.470   0.1807   21.560   0.1809 -0.8393000E-01 0.2557000 
1 1 1   -3    5    3 o   69.010   0.3999   69.200   0.5669   68.820   0.5641 0.3809000 0.7998000 
1 1 1   -3    5    4 f  107.500   0.6182  107.500   0.8748  107.400   0.8738 0.1055000 1.236000 
1 1 1   -3    5    5 o   33.470   0.2072   33.420   0.2927   33.520   0.2934 -0.1008000 0.4144000 
1 1 1   -3    5    6 o   49.350   0.2922   49.490   0.4143   49.200   0.4122 0.2823000 0.5844000 
1 1 1   -3    5    7 o   16.480   0.1876   16.250   0.2695   16.710   0.2609 -0.4615000 0.3751000 
1 1 1   -3    5    8 o   17.030   0.2252   17.730   0.2697   16.330   0.3607 1.401000 0.4504000 
1 1 1   -3    5    9 o   32.360   0.2081   32.570   0.2950   32.160   0.2935 0.4019000 0.4161000 
1 1 1   -3    5   10 o   23.020   0.1729   23.050   0.2448   22.990   0.2442 0.6625000E-01 0.3458000 
1 1 1   -3    5   11 o   31.410   0.2077   31.780   0.2967   31.040   0.2908 0.7450000 0.4155000 
1 1 1   -3    5   12 o   20.000   0.1926   20.460   0.2484   19.540   0.2943 0.9201000 0.3851000 
1 1 1   -3    5   13 o   12.230   0.2041   12.240   0.2871   12.210   0.2901 0.2238000E-01 0.4081000 
1 1 1   -3    5   14 o   33.900   0.2261   33.350   0.3171   34.450   0.3225 -1.105000 0.4522000 
1 1 1   -3    5   15 o   12.860   0.2379   12.720   0.3384   13.010   0.3346 -0.2919000 0.4759000 
1 1 1   -3    5   16 o   30.000   0.2243   29.980   0.3163   30.010   0.3182 -0.3375000E-01 0.4487000 
1 1 1   -3    5   17 o   17.890   0.2673   17.690   0.3632   18.100   0.3924 -0.4137000 0.5347000 
1 1 1   -3    5   18 o   14.520   0.2489   14.170   0.3237   14.870   0.3781 -0.7001000 0.4978000 
1 1 1   -3    5   19 o   16.530   0.2498   16.770   0.3194   16.280   0.3842 0.4860000 0.4996000 
1 1 1   -3    5   20 o   10.400   0.3249   10.630   0.4137   10.170   0.5012 0.4683000 0.6499000 
1 1 1   -3    5   21 o   31.430   0.2659   31.130   0.3376   31.730   0.4110 -0.5947000 0.5319000 
1 1 1   -3    5   22 o   17.200   0.3503   16.600   0.4293   17.800   0.5536 -1.198000 0.7006000 
1 1 1   -3    5   23 o   10.400   0.3014   10.580   0.4057   10.230   0.4459 0.3510000 0.6028000 
1 1 1   -3    5   24 o   11.510   0.2778   11.220   0.3787   11.810   0.4066 -0.5908000 0.5557000 
1 1 1   -3    5   25 o   4.6470   0.6268   4.0320   0.9525   5.2620   0.8151 -1.230000 1.254000 
1 1 1   -3    5   26 f   8.7030   0.3573   8.5670   0.4718   8.8400   0.5366 -0.2723000 0.7145000 
1 1 1   -3    5   27 o   14.330   0.2493   13.880   0.3317   14.770   0.3723 -0.8930000 0.4987000 
1 1 1   -3    5   28 o   8.3200   0.3725   8.7050   0.4581   7.9340   0.5876 0.7715000 0.7450000 
1 1 1   -3    5   29 f   6.1910   0.6901   6.2840   0.9479   6.0970   1.0030 0.1871000 1.380000 
1 1 1   -3    5   30 o   6.4870   0.5077   6.0120   0.7294   6.9610   0.7065 -0.9492000 1.015000 
1 1 1   -3    5   31 o   6.8750   0.4941   7.0800   0.6213   6.6710   0.7684 0.4091000 0.9882000 
1 1 1   -3    5   32 o   2.2930   0.7048   2.5860   1.0470   2.0000   0.9442 0.5859000 1.410000 
1 1 1   -3    5   33 o   2.1170   0.7292   1.8310   0.8938   2.4040   1.1520 -0.5735000 1.458000 
1 1 1   -3    7    1 o   74.510   0.3742   74.260   0.5276   74.750   0.5309 -0.4827000 0.7485000 
1 1 1   -3    7    2 o   33.770   0.1975   34.210   0.2614   33.320   0.2962 0.8963000 0.3951000 
1 1 1   -3    7    3 o   11.550   0.1795   11.930   0.2747   11.170   0.2311 0.7590000 0.3590000 
1 1 1   -3    7    4 o   8.8870   0.1972   8.7090   0.2890   9.0660   0.2684 -0.3564000 0.3945000 
1 1 1   -3    7    5 o   35.860   0.2744   35.960   0.3895   35.770   0.3867 0.1914000 0.5489000 
1 1 1   -3    7    6 o   49.440   0.4436   49.300   0.5111   49.580   0.7252 -0.2799000 0.8872000 
1 1 1   -3    7    7 o   26.090   0.2025   26.140   0.2582   26.040   0.3119 0.9781000E-01 0.4049000 
1 1 1   -3    7    8 o   8.3110   0.2288   8.2120   0.3249   8.4110   0.3221 -0.1994000 0.4575000 
1 1 1   -3    7    9 o   25.750   0.1857   26.040   0.2648   25.460   0.2603 0.5771000 0.3713000 
1 1 1   -3    7   10 o   20.000   0.1763   20.200   0.2527   19.810   0.2457 0.3920000 0.3525000 
1 1 1   -3    7   11 o   18.960   0.2054   18.450   0.3242   19.470   0.2523 -1.024000 0.4108000 
1 1 1   -3    7   12 o   8.1140   0.2771   8.0840   0.3963   8.1450   0.3875 -0.6110000E-01 0.5543000 
1 1 1   -3    7   13 o   5.2210   0.4530   4.7990   0.6970   5.6430   0.5787 -0.8444000 0.9059000 
1 1 1   -3    7   14 o   57.980   0.3491   58.020   0.4940   57.930   0.4934 0.8248000E-01 0.6981000 
1 1 1   -3    7   15 o   7.5630   0.4116   8.2760   0.5233   6.8510   0.6354 1.424000 0.8231000 
1 1 1   -3    7   16 o   29.410   0.3316   28.720   0.5325   30.100   0.3953 -1.376000 0.6632000 
1 1 1   -3    7   17 o   22.270   0.2474   22.540   0.3791   22.000   0.3180 0.5416000 0.4948000 
1 1 1   -3    7   18 o   15.550   0.2788   15.170   0.4056   15.930   0.3825 -0.7597000 0.5576000 
1 1 1   -3    7   19 o   5.4300   0.6757   5.7570   0.9123   5.1030   0.9970 0.6536000 1.351000 
1 1 1   -3    7   20 o   10.970   0.3237   11.470   0.4424   10.460   0.4726 1.016000 0.6474000 
1 1 1   -3    7   21 o   4.1920   0.8725   5.1420   1.1120   3.2420   1.3450 1.900000 1.745000 
1 1 1   -3    7   22 o   7.8700   0.3968   8.3210   0.4811   7.4180   0.6312 0.9034000 0.7936000 
1 1 1   -3    7   23 o   5.7180   0.5284   5.5720   0.6984   5.8630   0.7932 -0.2914000 1.057000 
1 1 1   -3    7   24 o   14.640   0.2445   14.820   0.3169   14.450   0.3724 0.3662000 0.4890000 
1 1 1   -3    7   25 o   10.050   0.3190   9.7590   0.4250   10.330   0.4759 -0.5724000 0.6381000 
1 1 1   -3    7   26 o   3.3930   0.7529   3.5780   1.0230   3.2080   1.1050 0.3697000 1.506000 
1 1 1   -3    7   27 o   1.8480   0.6133   1.9080   0.8780   1.7870   0.8566 0.1210000 1.227000 
1 1 1   -3    7   28 o   3.1780   0.7723   3.1170   1.0480   3.2380   1.1350 -0.1207000 1.545000 
1 1 1   -3    7   29 o   3.1190   0.8620   3.4160   1.2460   2.8220   1.1910 0.5933000 1.724000 
1 1 1   -3    7   30 o   4.6620   0.6985   4.4200   0.9516   4.9040   1.0230 -0.4832000 1.397000 
1 1 1   -3    7   31 o   2.6970   0.7541   3.0060   1.0860   2.3870   1.0460 0.6195000 1.508000 
1 1 1   -3    7   32 o   4.9310   0.6875   4.5580   0.9780   5.3040   0.9666 -0.7458000 1.375000 
1 1 1   -3    7   33 o   3.9970   1.0080   3.8220   1.3290   4.1710   1.5170 -0.3483000 2.016000 
1 1 1   -3    9    1 o   48.540   0.2921   48.630   0.4138   48.450   0.4123 0.1775000 0.5841000 
1 1 1   -3    9    2 o   46.420   0.2807   46.460   0.3973   46.380   0.3966 0.7868000E-01 0.5613000 
1 1 1   -3    9    3 o   24.790   0.1799   24.940   0.2558   24.640   0.2531 0.3044000 0.3598000 
1 1 1   -3    9    4 o   31.030   0.1922   30.790   0.2891   31.280   0.2535 -0.4834000 0.3845000 
1 1 1   -3    9    5 o   9.8290   0.1991   9.7750   0.3046   9.8820   0.2564 -0.1065000 0.3981000 
1 1 1   -3    9    6 o   13.990   0.1814   14.090   0.2547   13.900   0.2584 0.1887000 0.3628000 
1 1 1   -3    9    7 o   39.610   0.2493   40.110   0.3561   39.110   0.3489 1.001000 0.4986000 
1 1 1   -3    9    8 o   32.940   0.2193   32.920   0.3102   32.970   0.3101 -0.4822000E-01 0.4387000 
1 1 1   -3    9    9 o   12.030   0.2284   12.610   0.3350   11.450   0.3107 1.161000 0.4569000 
1 1 1   -3    9   10 o   20.940   0.1878   20.500   0.2635   21.390   0.2678 -0.8925000 0.3757000 
1 1 1   -3    9   11 o   32.790   0.2234   32.840   0.3165   32.730   0.3154 0.1159000 0.4468000 
1 1 1   -3    9   12 o   59.450   0.3569   59.350   0.5039   59.550   0.5055 -0.2048000 0.7137000 
1 1 1   -3    9   13 o   65.450   0.3903   65.220   0.5508   65.670   0.5532 -0.4478000 0.7807000 
1 1 1   -3    9   14 o   16.620   0.2818   16.150   0.4098   17.080   0.3870 -0.9307000 0.5636000 
1 1 1   -3    9   15 o   25.380   0.5094   25.380   0.5094  ?   ?       ?      ? 
1 1 1   -3    9   16 o   17.880   0.2424   17.380   0.3499   18.380   0.3356 -0.9971000 0.4848000 
1 1 1   -3    9   17 o   16.590   0.2607   16.510   0.3708   16.670   0.3664 -0.1582000 0.5213000 
1 1 1   -3    9   18 o   6.9370   0.5150   7.1670   0.7214   6.7060   0.7353 0.4608000 1.030000 
1 1 1   -3    9   19 o   6.3590   0.5300   6.0860   0.7870   6.6320   0.7100 -0.5459000 1.060000 
1 1 1   -3    9   20 o   23.190   0.3343   23.000   0.3995   23.390   0.5360 -0.3955000 0.6685000 
1 1 1   -3    9   21 o   5.8450   0.6340   6.5190   0.6840   5.1720   1.0680 1.347000 1.268000 
1 1 1   -3    9   22 o   11.900   0.2983   11.810   0.4218   11.980   0.4221 -0.1644000 0.5967000 
1 1 1   -3    9   23 o   10.780   0.3128   10.570   0.4462   10.990   0.4385 -0.4158000 0.6256000 
1 1 1   -3    9   24 o   4.2830   0.7273   3.8750   1.0750   4.6920   0.9795 -0.8163000 1.455000 
1 1 1   -3    9   25 o   9.3800   0.3390   9.5280   0.4358   9.2320   0.5194 0.2962000 0.6780000 
1 1 1   -3    9   26 o   4.8440   0.6345   4.6880   0.8847   5.0000   0.9097 -0.3122000 1.269000 
1 1 1   -3    9   27 o   6.6390   0.4633   6.0450   0.6621   7.2330   0.6482 -1.188000 0.9266000 
1 1 1   -3    9   28 o   14.300   0.3552   14.380   0.4943   14.230   0.5102 0.1415000 0.7104000 
1 1 1   -3    9   29 o   5.3580   0.6740   6.0700   0.8295   4.6470   1.0630 1.424000 1.348000 
1 1 1   -3    9   30 o   3.3250   0.7842   3.7460   1.0770   2.9040   1.1400 0.8420000 1.568000 
1 1 1   -3    9   31 o   3.1450   0.7786   3.5860   1.0910   2.7040   1.1110 0.8818000 1.557000 
1 1 1   -3    9   32 o   2.1750   0.7186   2.1500   0.9991   2.2000   1.0330 -0.4964000E-01 1.437000 
1 1 1   -3   11    1 o   25.070   0.1650   25.110   0.2331   25.030   0.2336 0.8617000E-01 0.3300000 
1 1 1   -3   11    2 o   35.510   0.2000   35.510   0.2828   35.510   0.2829 0.4387000E-02 0.4000000 
1 1 1   -3   11    3 o   18.700   0.1573   18.600   0.2228   18.790   0.2222 -0.1934000 0.3146000 
1 1 1   -3   11    4 o   14.630   0.1795   14.740   0.2691   14.520   0.2375 0.2135000 0.3589000 
1 1 1   -3   11    5 o   25.270   0.1814   25.150   0.2740   25.390   0.2378 -0.2432000 0.3628000 
1 1 1   -3   11    6 o   24.340   0.1807   24.360   0.2726   24.330   0.2372 0.3070000E-01 0.3613000 
1 1 1   -3   11    7 o   30.140   0.2134   30.050   0.3009   30.220   0.3026 -0.1708000 0.4267000 
1 1 1   -3   11    8 o   37.320   0.2444   37.270   0.3456   37.360   0.3458 -0.9263000E-01 0.4889000 
1 1 1   -3   11    9 o   10.760   0.2705   11.180   0.3975   10.350   0.3671 0.8262000 0.5410000 
1 1 1   -3   11   10 o   24.620   0.2048   24.420   0.2881   24.830   0.2913 -0.4110000 0.4097000 
1 1 1   -3   11   11 o   8.7080   0.3275   9.0890   0.4396   8.3270   0.4857 0.7623000 0.6551000 
1 1 1   -3   11   12 o   48.940   0.3752   48.980   0.5301   48.900   0.5310 0.8336000E-01 0.7503000 
1 1 1   -3   11   14 o   23.380   0.2405   23.670   0.3688   23.090   0.3088 0.5838000 0.4810000 
1 1 1   -3   11   15 o   25.080   0.2284   25.150   0.3248   25.010   0.3213 0.1446000 0.4568000 
1 1 1   -3   11   16 o   12.090   0.3145   12.480   0.4385   11.700   0.4510 0.7878000 0.6290000 
1 1 1   -3   11   17 o   15.960   0.2640   15.900   0.3867   16.020   0.3595 -0.1164000 0.5279000 
1 1 1   -3   11   18 o   15.710   0.3298   16.120   0.4858   15.300   0.4461 0.8220000 0.6596000 
1 1 1   -3   11   19 o   17.460   0.3574   17.220   0.4519   17.700   0.5540 -0.4822000 0.7149000 
1 1 1   -3   11   20 o   9.5190   0.3838   9.6030   0.4996   9.4360   0.5829 0.1665000 0.7677000 
1 1 1   -3   11   21 o   24.270   0.2315   24.490   0.3315   24.050   0.3231 0.4375000 0.4629000 
1 1 1   -3   11   22 f   14.780   0.2619   14.320   0.3753   15.240   0.3655 -0.9194000 0.5239000 
1 1 1   -3   11   23 o   4.4840   0.7156   4.4680   1.0160   4.5000   1.0080 -0.3201000E-01 1.431000 
1 1 1   -3   11   24 o   4.1440   0.7321   3.6420   1.0920   4.6450   0.9750 -1.003000 1.464000 
1 1 1   -3   11   25 f   3.6940   0.7035   2.5770   1.0550   4.8110   0.9313 -2.234000 1.407000 
1 1 1   -3   11   26 o   3.0110   0.7224   3.8360   1.0680   2.1850   0.9725 1.651000 1.445000 
1 1 1   -3   11   27 o   7.6410   0.5500   7.3990   0.7711   7.8830   0.7844 -0.4841000 1.100000 
1 1 1   -3   11   28 o   5.2550   0.7158   4.8370   1.1530   5.6740   0.8487 -0.8364000 1.432000 
1 1 1   -3   11   29 o   4.8690   0.6846   5.6610   0.7583   4.0780   1.1400 1.583000 1.369000 
1 1 1   -3   11   30 o   1.8860   0.6306   1.9570   0.9077   1.8150   0.8757 0.1425000 1.261000 
1 1 1   -3   11   31 o   2.6210   0.7964   2.7140   1.1290   2.5280   1.1240 0.1864000 1.593000 
1 1 1   -3   11   32 o   2.5700   1.2400   2.5700   1.2400  ?   ?       ?      ? 
1 1 1   -3   13    1 o   7.9140   0.2771   7.6820   0.4003   8.1470   0.3831 -0.4656000 0.5541000 
1 1 1   -3   13    2 o   41.780   0.2302   41.750   0.3251   41.810   0.3261 -0.6557000E-01 0.4604000 
1 1 1   -3   13    3 o   38.750   0.2183   38.710   0.3082   38.790   0.3091 -0.7667000E-01 0.4365000 
1 1 1   -3   13    4 o   40.310   0.2251   40.400   0.3188   40.220   0.3180 0.1764000 0.4503000 
1 1 1   -3   13    5 o   28.000   0.1977   27.800   0.2978   28.190   0.2601 -0.3938000 0.3954000 
1 1 1   -3   13    6 f   32.760   0.2140   32.650   0.3227   32.880   0.2811 -0.2334000 0.4280000 
1 1 1   -3   13    7 o   63.030   0.3533   63.120   0.5346   62.940   0.4621 0.1737000 0.7066000 
1 1 1   -3   13    8 o   16.630   0.2399   16.080   0.3758   17.170   0.2985 -1.089000 0.4799000 
1 1 1   -3   13    9 o   16.480   0.2535   16.950   0.3116   16.010   0.3999 0.9428000 0.5070000 
1 1 1   -3   13   10 o   38.660   0.3196   38.650   0.4512   38.680   0.4527 -0.2181000E-01 0.6391000 
1 1 1   -3   13   11 o   51.090   0.5556  ?   ?    51.090   0.5556      ?      ? 
1 1 1   -3   13   12 o   22.710   0.2469   22.960   0.3727   22.460   0.3238 0.4964000 0.4937000 
1 1 1   -3   13   13 o   58.560   0.3600   58.480   0.5087   58.640   0.5096 -0.1573000 0.7201000 
1 1 1   -3   13   14 o   13.980   0.2794   13.800   0.3994   14.170   0.3908 -0.3723000 0.5588000 
1 1 1   -3   13   15 o   20.410   0.2368   20.470   0.3378   20.350   0.3320 0.1161000 0.4737000 
1 1 1   -3   13   16 o   22.210   0.2665   22.850   0.4183   21.570   0.3303 1.283000 0.5330000 
1 1 1   -3   13   17 o   20.090   0.2914   19.910   0.4196   20.270   0.4044 -0.3626000 0.5828000 
1 1 1   -3   13   18 o   2.7140   0.7720   2.0970   0.9548   3.3310   1.2130 -1.234000 1.544000 
1 1 1   -3   13   19 o   17.580   0.2638   18.140   0.4016   17.030   0.3422 1.115000 0.5276000 
1 1 1   -3   13   20 o   12.460   0.2942   12.340   0.4224   12.570   0.4098 -0.2234000 0.5885000 
1 1 1   -3   13   21 o   12.140   0.3041   12.050   0.4372   12.220   0.4228 -0.1741000 0.6082000 
1 1 1   -3   13   22 f   8.2430   0.4129   8.1120   0.6016   8.3750   0.5658 -0.2630000 0.8259000 
1 1 1   -3   13   23 o   5.5950   0.5937   5.7150   0.8283   5.4750   0.8507 0.2398000 1.187000 
1 1 1   -3   13   24 o   4.5340   0.7090   5.0140   0.9315   4.0550   1.0690 0.9589000 1.418000 
1 1 1   -3   13   25 o   4.8420   0.6801   4.0150   1.0990   5.6690   0.8020 -1.654000 1.360000 
1 1 1   -3   13   26 o   4.9030   0.8460   5.4600   1.1170   4.3460   1.2710 1.114000 1.692000 
1 1 1   -3   13   27 o   2.1440   0.6979   2.4900   1.0970   1.7980   0.8631 0.6926000 1.396000 
1 1 1   -3   13   28 o   7.5370   0.4803   7.5070   0.6926   7.5660   0.6656 -0.5926000E-01 0.9606000 
1 1 1   -3   13   29 o   2.9890   0.7987   2.5550   1.0920   3.4230   1.1660 -0.8672000 1.597000 
1 1 1   -3   13   30 o   5.6590   0.8040   4.5380   1.3470   6.7800   0.8789 -2.242000 1.608000 
1 1 1   -3   13   31 o   2.6370   0.7732   3.3370   1.2220   1.9360   0.9483 1.401000 1.546000 
1 1 1   -3   15    1 o   31.970   0.1991   32.240   0.2824   31.700   0.2809 0.5475000 0.3983000 
1 1 1   -3   15    2 o   24.720   0.1838   24.580   0.2595   24.850   0.2605 -0.2687000 0.3677000 
1 1 1   -3   15    3 o   44.880   0.2478   44.590   0.3484   45.180   0.3526 -0.5924000 0.4957000 
1 1 1   -3   15    4 o   19.950   0.2623   20.300   0.3649   19.600   0.3769 0.6943000 0.5246000 
1 1 1   -3   15    5 o   22.300   0.2372   22.660   0.3645   21.940   0.3037 0.7194000 0.4745000 
1 1 1   -3   15    6 f   21.190   0.2669   21.890   0.3693   20.500   0.3855 1.391000 0.5339000 
1 1 1   -3   15    7 o   40.000   0.3968   40.210   0.6455   39.780   0.4618 0.4235000 0.7937000 
1 1 1   -3   15    8 o   47.100   0.3341   46.850   0.5146   47.350   0.4262 -0.5043000 0.6682000 
1 1 1   -3   15    9 o   33.620   0.2693   33.620   0.4142   33.630   0.3443 -0.8720000E-02 0.5386000 
1 1 1   -3   15   10 o   16.140   0.2473   15.680   0.3537   16.590   0.3459 -0.9110000 0.4947000 
1 1 1   -3   15   11 o   27.690   0.2357   27.600   0.3326   27.790   0.3340 -0.1965000 0.4714000 
1 1 1   -3   15   12 o   19.420   0.2435   19.620   0.3420   19.220   0.3467 0.4055000 0.4870000 
1 1 1   -3   15   13 f   2.2900   0.7210   2.4610   1.0560   2.1190   0.9821 0.3419000 1.442000 
1 1 1   -3   15   15 o   28.260   0.2942   27.760   0.4202   28.760   0.4120 -0.9955000 0.5885000 
1 1 1   -3   15   16 o   7.6430   0.4823   7.8780   0.5932   7.4080   0.7607 0.4702000 0.9646000 
1 1 1   -3   15   17 o   15.230   0.2638   15.070   0.3735   15.390   0.3727 -0.3225000 0.5276000 
1 1 1   -3   15   18 o   18.070   0.2439   17.840   0.3465   18.300   0.3435 -0.4583000 0.4879000 
1 1 1   -3   15   19 o   9.5660   0.3557   9.5060   0.5043   9.6260   0.5018 -0.1199000 0.7114000 
1 1 1   -3   15   20 f   17.800   0.2482   17.710   0.3549   17.890   0.3472 -0.1774000 0.4965000 
1 1 1   -3   15   21 o   7.3290   0.4554   7.7970   0.5977   6.8610   0.6873 0.9367000 0.9108000 
1 1 1   -3   15   22 o   3.6240   0.7939   3.5780   1.1180   3.6710   1.1270 -0.9322000E-01 1.588000 
1 1 1   -3   15   23 o   8.6920   0.3912   8.4530   0.5679   8.9310   0.5382 -0.4783000 0.7825000 
1 1 1   -3   15   24 o   4.7660   0.8327   5.6820   1.0510   3.8510   1.2920 1.831000 1.665000 
1 1 1   -3   15   25 o   2.5220   0.7626   2.4350   1.0840   2.6080   1.0730 -0.1726000 1.525000 
1 1 1   -3   15   26 o   7.7590   0.4927   7.5070   0.7742   8.0120   0.6095 -0.5047000 0.9853000 
1 1 1   -3   15   27 o   4.3060   0.7715   3.7750   1.1670   4.8360   1.0100 -1.061000 1.543000 
1 1 1   -3   15   28 o   2.9770   0.7843   2.3550   1.0430   3.5990   1.1710 -1.244000 1.569000 
1 1 1   -3   15   29 o   3.4150   0.9260   3.6210   1.3700   3.2090   1.2460 0.4127000 1.852000 
1 1 1   -3   15   30 o   2.2310   1.0720   2.2310   1.0720  ?   ?       ?      ? 
1 1 1   -3   17    1 o   13.360   0.2346   13.240   0.3310   13.490   0.3325 -0.2572000 0.4692000 
1 1 1   -3   17    2 o   31.750   0.2071   31.370   0.2909   32.130   0.2949 -0.7669000 0.4143000 
1 1 1   -3   17    3 o   8.8240   0.3234   9.1360   0.4379   8.5120   0.4760 0.6242000 0.6468000 
1 1 1   -3   17    4 o   18.130   0.2059   18.130   0.2893   18.140   0.2931 -0.3107000E-02 0.4119000 
1 1 1   -3   17    5 o   42.010   0.2620   41.390   0.3922   42.640   0.3475 -1.258000 0.5240000 
1 1 1   -3   17    6 o   17.880   0.2292   17.730   0.3468   18.040   0.2999 -0.3038000 0.4585000 
1 1 1   -3   17    7 o   9.5150   0.3454   10.050   0.5062   8.9760   0.4701 1.078000 0.6908000 
1 1 1   -3   17    8 o   25.070   0.2157   25.010   0.3241   25.120   0.2848 -0.1137000 0.4315000 
1 1 1   -3   17    9 o   10.440   0.3216   10.330   0.4891   10.550   0.4176 -0.2257000 0.6431000 
1 1 1   -3   17   10 o   17.120   0.2345   16.920   0.3558   17.320   0.3056 -0.4000000 0.4690000 
1 1 1   -3   17   11 o   7.7530   0.5543   7.8620   0.8113   7.6430   0.7554 0.2190000 1.109000 
1 1 1   -3   17   12 o   11.500   0.4012   11.770   0.5677   11.230   0.5669 0.5373000 0.8023000 
1 1 1   -3   17   13 o   16.150   0.2889   16.000   0.3636   16.290   0.4491 -0.2907000 0.5779000 
1 1 1   -3   17   14 o   15.160   0.2954   15.200   0.3740   15.130   0.4572 0.6949000E-01 0.5907000 
1 1 1   -3   17   15 o   7.9300   0.4476   8.4870   0.5551   7.3730   0.7024 1.113000 0.8952000 
1 1 1   -3   17   16 o   15.930   0.2628   15.610   0.3706   16.250   0.3726 -0.6413000 0.5256000 
1 1 1   -3   17   17 o   7.5250   0.4444   7.0770   0.6595   7.9720   0.5960 -0.8948000 0.8889000 
1 1 1   -3   17   18 o   10.890   0.3274   11.190   0.4617   10.590   0.4642 0.5997000 0.6547000 
1 1 1   -3   17   19 o   17.280   0.2518   17.170   0.3533   17.390   0.3590 -0.2194000 0.5037000 
1 1 1   -3   17   20 o   9.8180   0.3579   9.2970   0.5191   10.340   0.4928 -1.041000 0.7157000 
1 1 1   -3   17   21 o   5.3900   0.6251   5.2800   0.9014   5.5000   0.8662 -0.2198000 1.250000 
1 1 1   -3   17   22 o   8.7810   0.4065   8.8390   0.5849   8.7220   0.5646 0.1169000 0.8130000 
1 1 1   -3   17   23 o   5.8400   0.7385   6.0590   0.9570   5.6220   1.1250 0.4375000 1.477000 
1 1 1   -3   17   24 o   2.4600   0.7471   3.0210   1.1950   1.8990   0.8966 1.123000 1.494000 
1 1 1   -3   17   25 o   5.7300   0.6088   5.7560   0.8889   5.7030   0.8322 0.5332000E-01 1.218000 
1 1 1   -3   17   26 o   5.3160   0.6847   4.6770   1.0680   5.9550   0.8566 -1.278000 1.369000 
1 1 1   -3   17   27 o   2.7490   0.8263   2.9970   1.2520   2.5020   1.0790 0.4946000 1.653000 
1 1 1   -3   17   28 o   5.0400   0.8116   3.5630   1.3220   6.5160   0.9414 -2.953000 1.623000 
1 1 1   -3   19    1 o   4.4550   0.6574   5.5720   0.7427   3.3370   1.0850 2.235000 1.315000 
1 1 1   -3   19    2 o   21.010   0.2059   20.700   0.2886   21.330   0.2937 -0.6293000 0.4117000 
1 1 1   -3   19    3 o   23.350   0.2023   23.490   0.2845   23.210   0.2877 0.2827000 0.4046000 
1 1 1   -3   19    4 o   14.130   0.2413   13.720   0.3461   14.550   0.3363 -0.8363000 0.4826000 
1 1 1   -3   19    5 o   10.840   0.3150   11.210   0.4617   10.460   0.4287 0.7477000 0.6300000 
1 1 1   -3   19    6 o   23.520   0.2688   23.770   0.4213   23.270   0.3339 0.4978000 0.5376000 
1 1 1   -3   19    7 f   20.250   0.2813   19.940   0.4467   20.570   0.3420 -0.6270000 0.5626000 
1 1 1   -3   19    8 o   4.4680   0.8549   4.6140   1.3010   4.3220   1.1100 0.2929000 1.710000 
1 1 1   -3   19    9 o   15.590   0.2582   15.920   0.3646   15.260   0.3656 0.6629000 0.5163000 
1 1 1   -3   19   10 o   19.940   0.2661   20.610   0.3401   19.260   0.4093 1.355000 0.5321000 
1 1 1   -3   19   11 o   9.7120   0.3367   10.020   0.4966   9.4020   0.4547 0.6186000 0.6733000 
1 1 1   -3   19   12 o   13.780   0.2627   13.940   0.3951   13.620   0.3463 0.3218000 0.5254000 
1 1 1   -3   19   13 o   7.6480   0.4422   7.2700   0.6495   8.0260   0.6003 -0.7560000 0.8844000 
1 1 1   -3   19   14 o   9.8680   0.3570   9.3640   0.5252   10.370   0.4837 -1.008000 0.7141000 
1 1 1   -3   19   15 o   14.110   0.2832   14.010   0.3865   14.210   0.4140 -0.1966000 0.5664000 
1 1 1   -3   19   16 o   2.2720   0.6852   2.8350   1.0860   1.7090   0.8360 1.126000 1.370000 
1 1 1   -3   19   17 o   8.3190   0.4209   8.1690   0.5953   8.4690   0.5951 -0.2997000 0.8418000 
1 1 1   -3   19   18 o   8.5950   0.3979   9.0440   0.5299   8.1450   0.5938 0.8991000 0.7958000 
1 1 1   -3   19   19 o   7.0790   0.4742   7.0120   0.6863   7.1450   0.6547 -0.1331000 0.9485000 
1 1 1   -3   19   20 o   14.860   0.3231   14.870   0.4009   14.850   0.5069 0.1776000E-01 0.6463000 
1 1 1   -3   19   21 o   3.8180   0.8146   2.4810   1.0930   5.1540   1.2080 -2.673000 1.629000 
1 1 1   -3   19   22 o   11.110   0.3654   11.150   0.5533   11.060   0.4775 0.8620000E-01 0.7309000 
1 1 1   -3   19   23 o   3.4730   0.7796   2.7110   1.1040   4.2350   1.1010 -1.524000 1.559000 
1 1 1   -3   19   24 o   2.8970   0.7948   2.7560   1.1190   3.0380   1.1290 -0.2815000 1.590000 
1 1 1   -3   19   25 o   2.1510   0.6972   2.1730   0.9940   2.1280   0.9778 0.4482000E-01 1.394000 
1 1 1   -3   19   26 o   2.8480   0.8592   2.6120   1.1820   3.0840   1.2470 -0.4726000 1.718000 
1 1 1   -3   19   27 o   3.7540   0.8285   4.3960   1.1100   3.1130   1.2300 1.283000 1.657000 
1 1 1   -3   21    1 o   22.550   0.2395   22.440   0.3401   22.660   0.3373 -0.2214000 0.4790000 
1 1 1   -3   21    2 o   14.080   0.2659   13.790   0.3589   14.380   0.3924 -0.5907000 0.5318000 
1 1 1   -3   21    3 o   31.390   0.2157   31.310   0.3030   31.480   0.3070 -0.1726000 0.4314000 
1 1 1   -3   21    4 o   16.550   0.2225   16.620   0.3108   16.480   0.3184 0.1362000 0.4450000 
1 1 1   -3   21    5 o   6.8940   0.4349   7.5170   0.5414   6.2700   0.6808 1.247000 0.8698000 
1 1 1   -3   21    6 o   3.1170   0.7161   4.1500   1.0870   2.0840   0.9321 2.067000 1.432000 
1 1 1   -3   21    7 o   12.700   0.2880   12.490   0.4425   12.900   0.3689 -0.4106000 0.5761000 
1 1 1   -3   21    8 o   11.810   0.3013   11.980   0.4510   11.630   0.3997 0.3494000 0.6026000 
1 1 1   -3   21    9 o   3.0000   0.7639   2.8660   1.1080   3.1350   1.0520 -0.2689000 1.528000 
1 1 1   -3   21   10 o   6.4030   0.4788   6.6790   0.6922   6.1280   0.6616 0.5508000 0.9575000 
1 1 1   -3   21   11 o   6.2860   0.5005   5.6340   0.8121   6.9380   0.5852 -1.305000 1.001000 
1 1 1   -3   21   12 o   2.5740   0.7291   2.4380   1.0310   2.7110   1.0310 -0.2732000 1.458000 
1 1 1   -3   21   13 o   13.640   0.2676   13.650   0.4045   13.630   0.3506 0.1995000E-01 0.5353000 
1 1 1   -3   21   14 o   5.1890   0.5920   5.6710   0.8149   4.7060   0.8588 0.9655000 1.184000 
1 1 1   -3   21   15 o   3.3160   0.7839   2.9660   1.1140   3.6660   1.1030 -0.7000000 1.568000 
1 1 1   -3   21   16 o   7.0250   0.4711   7.0330   0.6620   7.0160   0.6703 0.1649000E-01 0.9421000 
1 1 1   -3   21   17 o   4.1530   0.7334   2.9240   1.1180   5.3830   0.9499 -2.459000 1.467000 
1 1 1   -3   21   18 o   8.8490   0.5401   8.2610   0.7163   9.4370   0.8087 -1.176000 1.080000 
1 1 1   -3   21   19 o   4.9160   0.6928   3.1210   1.1510   6.7120   0.7711 -3.591000 1.386000 
1 1 1   -3   21   20 o   7.8950   0.5068   8.4300   0.7380   7.3610   0.6949 1.070000 1.014000 
1 1 1   -3   21   21 o   8.8830   0.4214   8.6090   0.6188   9.1570   0.5722 -0.5480000 0.8428000 
1 1 1   -3   21   22 o   1.7930   0.6137   1.7050   0.8322   1.8810   0.9021 -0.1755000 1.227000 
1 1 1   -3   21   23 o   4.4910   0.7852   4.8240   1.0440   4.1590   1.1730 0.6645000 1.570000 
1 1 1   -3   21   24 o   3.9740   0.9409   3.8210   1.3520   4.1260   1.3090 -0.3059000 1.882000 
1 1 1   -3   21   25 o   3.2330   0.8511   2.7380   1.1140   3.7280   1.2870 -0.9902000 1.702000 
1 1 1   -3   23    1 o   5.0110   0.5964   5.1840   0.8262   4.8390   0.8603 0.3453000 1.193000 
1 1 1   -3   23    2 o   9.0800   0.3425   9.4620   0.4734   8.6980   0.4951 0.7640000 0.6849000 
1 1 1   -3   23    3 o   10.710   0.2984   11.080   0.4067   10.350   0.4367 0.7338000 0.5968000 
1 1 1   -3   23    4 f   3.3020   0.7332   2.6480   1.0390   3.9550   1.0340 -1.308000 1.466000 
1 1 1   -3   23    5 o   14.190   0.2433   14.320   0.3377   14.060   0.3503 0.2668000 0.4865000 
1 1 1   -3   23    6 o   2.1310   0.6720   2.4930   1.0510   1.7700   0.8378 0.7228000 1.344000 
1 1 1   -3   23    7 o   7.2290   0.4457   7.2850   0.6864   7.1730   0.5687 0.1122000 0.8914000 
1 1 1   -3   23    8 o   2.4290   0.7227   2.6260   1.0800   2.2330   0.9612 0.3926000 1.445000 
1 1 1   -3   23    9 o   12.530   0.2785   12.800   0.4182   12.260   0.3677 0.5444000 0.5569000 
1 1 1   -3   23   10 o   8.8940   0.3518   9.1410   0.5128   8.6480   0.4817 0.4935000 0.7035000 
1 1 1   -3   23   11 o   3.4880   0.7584   3.8530   1.0870   3.1220   1.0570 0.7302000 1.517000 
1 1 1   -3   23   12 o   8.5080   0.3732   8.4920   0.5579   8.5230   0.4957 -0.3145000E-01 0.7463000 
1 1 1   -3   23   13 f   3.2000   0.7576   2.9630   1.1060   3.4380   1.0360 -0.4750000 1.515000 
1 1 1   -3   23   14 o   2.4360   0.7041   2.0560   0.9487   2.8160   1.0410 -0.7594000 1.408000 
1 1 1   -3   23   15 o   12.400   0.3538   11.640   0.5595   13.150   0.4331 -1.503000 0.7075000 
1 1 1   -3   23   16 o   3.6330   0.7980   3.1910   1.2180   4.0750   1.0310 -0.8840000 1.596000 
1 1 1   -3   23   17 o   10.930   0.3766   11.080   0.5644   10.770   0.4989 0.3007000 0.7533000 
1 1 1   -3   23   18 o   4.9230   0.7621   4.6490   1.1850   5.1970   0.9591 -0.5480000 1.524000 
1 1 1   -3   23   19 o   5.8620   0.6345   6.3770   0.8216   5.3460   0.9670 1.031000 1.269000 
1 1 1   -3   23   20 o   3.1570   0.8034   3.7610   1.1790   2.5520   1.0920 1.208000 1.607000 
1 1 1   -3   23   21 o   2.4710   0.7856   2.1600   1.0350   2.7810   1.1820 -0.6212000 1.571000 
1 1 1   -3   23   22 o   4.3190   0.8947   3.4190   1.3330   5.2200   1.1940 -1.801000 1.789000 
1 1 1   -3   23   23 o   2.0280   0.6868   1.8400   0.8869   2.2160   1.0490 -0.3756000 1.374000 
1 1 1   -3   25    1 o   2.3960   0.6991   2.5850   1.0210   2.2080   0.9550 0.3769000 1.398000 
1 1 1   -3   25    2 o   9.7930   0.3165   9.7290   0.4512   9.8570   0.4441 -0.1273000 0.6331000 
1 1 1   -3   25    3 o   5.8050   0.5113   5.5070   0.7632   6.1020   0.6807 -0.5947000 1.023000 
1 1 1   -3   25    4 o   15.640   0.2351   15.620   0.3334   15.660   0.3316 -0.3359000E-01 0.4702000 
1 1 1   -3   25    5 o   20.820   0.2164   20.570   0.3042   21.080   0.3078 -0.5098000 0.4327000 
1 1 1   -3   25    6 o   4.4180   0.7232   4.1500   1.1110   4.6860   0.9257 -0.5360000 1.446000 
1 1 1   -3   25    7 o   8.7230   0.3848   8.5840   0.5944   8.8620   0.4887 -0.2777000 0.7696000 
1 1 1   -3   25    8 o   4.6070   0.6887   4.9840   0.9903   4.2290   0.9575 0.7551000 1.377000 
1 1 1   -3   25    9 o   5.3390   0.6131   4.8510   1.0020   5.8270   0.7062 -0.9753000 1.226000 
1 1 1   -3   25   10 o   6.5420   0.6241   5.5320   1.0540   7.5520   0.6695 -2.020000 1.248000 
1 1 1   -3   25   11 o   6.6330   0.5957   6.0830   0.9609   7.1830   0.7043 -1.100000 1.191000 
1 1 1   -3   25   12 o   5.9450   0.6319   6.1390   0.9657   5.7510   0.8154 0.3880000 1.264000 
1 1 1   -3   25   13 o   5.9050   0.6350   6.1080   0.9412   5.7030   0.8527 0.4044000 1.270000 
1 1 1   -3   25   14 o   2.3930   0.7489   2.5390   1.1090   2.2470   1.0060 0.2918000 1.498000 
1 1 1   -3   25   15 o   1.9720   0.6401   1.6430   0.8026   2.3010   0.9972 -0.6580000 1.280000 
1 1 1   -3   25   16 o   4.2880   0.7393   3.8820   1.1220   4.6940   0.9626 -0.8118000 1.479000 
1 1 1   -3   25   17 o   4.5310   0.7276   4.7620   1.0430   4.3000   1.0150 0.4612000 1.455000 
1 1 1   -3   25   18 o   3.4150   0.8249   3.3780   1.2010   3.4520   1.1310 -0.7358000E-01 1.650000 
1 1 1   -3   25   19 o   3.4220   0.9341   3.3610   1.3210   3.4830   1.3210 -0.1223000 1.868000 
1 1 1   -3   25   20 o   2.1340   0.6970   2.2450   1.0150   2.0230   0.9557 0.2223000 1.394000 
1 1 1   -3   27    1 o   3.1700   0.8548   3.5320   1.2210   2.8070   1.1960 0.7241000 1.710000 
1 1 1   -3   27    2 o   2.3050   0.7516   2.3150   1.0580   2.2950   1.0680 0.2006000E-01 1.503000 
1 1 1   -3   27    3 o   6.7940   0.6508   6.1470   0.9688   7.4410   0.8694 -1.294000 1.302000 
1 1 1   -3   27    4 o   2.4850   0.7710   2.8770   1.1770   2.0920   0.9967 0.7858000 1.542000 
1 1 1   -3   27    5 o   3.9470   0.7188   5.2540   0.9338   2.6390   1.0930 2.616000 1.438000 
1 1 1   -3   27    6 o   5.1980   0.7357   4.6020   1.1990   5.7930   0.8527 -1.191000 1.471000 
1 1 1   -3   27    7 o   13.250   0.3397   13.060   0.5334   13.440   0.4208 -0.3857000 0.6794000 
1 1 1   -3   27    8 o   7.0490   0.5720   6.4830   0.9457   7.6150   0.6439 -1.133000 1.144000 
1 1 1   -3   27    9 o   5.8640   0.5586   5.9630   0.8262   5.7650   0.7520 0.1976000 1.117000 
1 1 1   -3   27   10 o   7.0800   0.4624   7.4120   0.6557   6.7480   0.6522 0.6639000 0.9248000 
1 1 1   -3   27   11 o   2.4010   0.7246   2.3670   1.0340   2.4360   1.0160 -0.6915000E-01 1.449000 
1 1 1   -3   27   12 o   8.9790   0.3927   8.6060   0.6047   9.3520   0.5013 -0.7455000 0.7855000 
1 1 1   -3   27   13 o   7.6620   0.4604   6.9420   0.7340   8.3820   0.5558 -1.440000 0.9207000 
1 1 1   -3   27   14 o   2.4320   0.7334   2.5660   1.0770   2.2990   0.9953 0.2673000 1.467000 
1 1 1   -3   27   15 o   3.0080   0.8001   2.2930   1.0660   3.7230   1.1940 -1.429000 1.600000 
1 1 1   -3   27   16 o   2.1520   0.7076   1.9020   0.9309   2.4030   1.0660 -0.5013000 1.415000 
1 1 1   -3   27   17 o   4.8300   0.7412   5.9040   0.8604   3.7550   1.2070 2.149000 1.482000 
1 1 1   -3   29    1 o   7.4360   0.4358   7.0900   0.6511   7.7810   0.5795 -0.6904000 0.8716000 
1 1 1   -3   29    2 f   1.9000   0.6272   1.9350   0.8992   1.8650   0.8746 0.7045000E-01 1.254000 
1 1 1   -3   29    3 o   2.7540   0.7218   3.4390   1.1010   2.0690   0.9331 1.370000 1.444000 
1 1 1   -3   29    4 o   3.4030   0.7597   3.0050   1.0920   3.8000   1.0560 -0.7950000 1.519000 
1 1 1   -3   29    5 o   2.2180   0.6897   1.9270   0.9171   2.5080   1.0300 -0.5811000 1.379000 
1 1 1   -3   29    6 o   2.9430   0.6973   1.9520   0.9203   3.9330   1.0480 -1.981000 1.395000 
1 1 1   -3   29    7 o   2.7090   0.7753   2.8610   1.1480   2.5570   1.0420 0.3043000 1.551000 
1 1 1   -3   29    8 o   8.7760   0.4079   9.1840   0.5998   8.3680   0.5530 0.8154000 0.8159000 
1 1 1   -3   29    9 o   3.4630   0.8776   4.3780   1.3720   2.5480   1.0950 1.830000 1.755000 
1 1 1   -3   29   10 o   3.6080   0.8305   2.8020   1.2190   4.4140   1.1280 -1.612000 1.661000 
1 1 1   -3   29   11 o   3.6680   0.7980   2.6130   1.1690   4.7230   1.0870 -2.111000 1.596000 
1 1 1   -3   29   12 o   2.2640   0.7177   2.3110   1.0240   2.2160   1.0060 0.9480000E-01 1.435000 
1 1 1   -3   29   13 o   2.4040   0.7398   2.6250   1.0940   2.1820   0.9967 0.4432000 1.480000 
1 1 1   -3   31    1 o   2.2210   0.7313   2.2320   1.0250   2.2090   1.0430 0.2297000E-01 1.463000 
1 1 1   -3   31    2 o   2.3960   0.7531   2.4490   1.0800   2.3430   1.0500 0.1059000 1.506000 
1 1 1   -3   31    3 o   1.8460   0.6265   1.5380   0.7709   2.1540   0.9878 -0.6155000 1.253000 
1 1 1   -3   31    4 o   3.3550   0.8360   3.1990   1.1740   3.5100   1.1900 -0.3112000 1.672000 
1 1 1   -3   31    5 o   1.7410   0.6028   1.6040   0.7970   1.8780   0.9045 -0.2742000 1.206000 
1 1 1   -2    0    2 o   7.6510   0.0799   7.6510   0.0799   7.6510   0.0799 -0.000000 0.000000 
1 1 1   -2    0    3 o   7.7250   0.0987   7.7250   0.0987   7.7250   0.0987 -0.000000 0.000000 
1 1 1   -2    0    4 o   35.910   0.2990   35.910   0.2990   35.910   0.2990 -0.000000 0.000000 
1 1 1   -2    0    5 o   6.8920   0.2140   6.8920   0.2140   6.8920   0.2140 -0.000000 0.000000 
1 1 1   -2    0    6 o   46.420   0.3325   46.420   0.3325   46.420   0.3325 -0.000000 0.000000 
1 1 1   -2    0    7 o  111.100   0.7805  111.100   0.7805  111.100   0.7805 -0.000000 0.000000 
1 1 1   -2    0    8 o   57.590   0.4112   57.590   0.4112   57.590   0.4112 -0.000000 0.000000 
1 1 1   -2    0    9 o   97.840   0.9774   97.840   0.9774   97.840   0.9774 -0.000000 0.000000 
1 1 1   -2    0   10 o   51.240   0.5248   51.240   0.5248   51.240   0.5248 -0.000000 0.000000 
1 1 1   -2    0   11 o   28.510   0.2665   28.510   0.2665   28.510   0.2665 -0.000000 0.000000 
1 1 1   -2    0   12 o   54.320   0.3943   54.320   0.3943   54.320   0.3943 -0.000000 0.000000 
1 1 1   -2    0   13 o   5.8050   0.3934   5.8050   0.3934   5.8050   0.3934 -0.000000 0.000000 
1 1 1   -2    0   14 o   43.300   0.3268   43.300   0.3268   43.300   0.3268 -0.000000 0.000000 
1 1 1   -2    0   15 o   4.0950   0.7086   4.0950   0.7086   4.0950   0.7086 -0.000000 0.000000 
1 1 1   -2    0   16 o   6.7600   0.5147   6.7600   0.5147   6.7600   0.5147 -0.000000 0.000000 
1 1 1   -2    0   17 o   29.540   0.2711   29.540   0.2711   29.540   0.2711 -0.000000 0.000000 
1 1 1   -2    0   18 o   3.7050   1.4990   3.7050   1.4990   3.7050   1.4990 -0.000000 0.000000 
1 1 1   -2    0   19 o   13.900   0.3453   13.900   0.3453   13.900   0.3453 -0.000000 0.000000 
1 1 1   -2    0   20 o   3.8150   1.2780   3.8150   1.2780   3.8150   1.2780 -0.000000 0.000000 
1 1 1   -2    0   21 o   16.800   0.3062   16.800   0.3062   16.800   0.3062 -0.000000 0.000000 
1 1 1   -2    0   22 o   12.790   0.4997   12.790   0.4997   12.790   0.4997 -0.000000 0.000000 
1 1 1   -2    0   23 o   13.890   0.3288   13.890   0.3288   13.890   0.3288 -0.000000 0.000000 
1 1 1   -2    0   24 o   14.360   0.3203   14.360   0.3203   14.360   0.3203 -0.000000 0.000000 
1 1 1   -2    0   25 o   6.8130   0.5599   6.8130   0.5599   6.8130   0.5599 -0.000000 0.000000 
1 1 1   -2    0   26 o   6.8190   0.5778   6.8190   0.5778   6.8190   0.5778 -0.000000 0.000000 
1 1 1   -2    0   27 o   8.6870   0.5358   8.6870   0.5358   8.6870   0.5358 -0.000000 0.000000 
1 1 1   -2    0   28 o   3.5650   1.2840   3.5650   1.2840   3.5650   1.2840 -0.000000 0.000000 
1 1 1   -2    0   29 o   11.370   0.4303   11.370   0.4303   11.370   0.4303 -0.000000 0.000000 
1 1 1   -2    0   30 o   3.9900   1.5020   3.9900   1.5020   3.9900   1.5020 -0.000000 0.000000 
1 1 1   -2    0   31 o   1.4840   1.0130   1.4840   1.0130   1.4840   1.0130 -0.000000 0.000000 
1 1 1   -2    0   32 o   3.7370   1.3910   3.7370   1.3910   3.7370   1.3910 -0.000000 0.000000 
1 1 1   -2    0   33 f   3.2870   1.4540   3.2870   1.4540   3.2870   1.4540 -0.000000 0.000000 
1 1 1   -2    2    1 o   99.370   0.4937   99.250   0.6973   99.490   0.6990 -0.2432000 0.9873000 
1 1 1   -2    2    2 o   59.140   0.3407   59.170   0.4821   59.110   0.4815 0.6738000E-01 0.6813000 
1 1 1   -2    2    3 o   13.160   0.1132   13.570   0.1778   12.750   0.1401 0.8167000 0.2264000 
1 1 1   -2    2    4 o   64.110   0.5568   64.230   0.9110   63.990   0.6404 0.2388000 1.114000 
1 1 1   -2    2    5 f   43.520   0.2554   43.270   0.3592   43.760   0.3632 -0.4930000 0.5109000 
1 1 1   -2    2    6 o   48.240   0.2827   48.190   0.3994   48.280   0.4002 -0.9237000E-01 0.5654000 
1 1 1   -2    2    7 o   64.170   0.3724   64.290   0.5276   64.050   0.5257 0.2406000 0.7448000 
1 1 1   -2    2    8 o   69.260   0.4019   68.890   0.5656   69.630   0.5711 -0.7383000 0.8038000 
1 1 1   -2    2    9 o   69.420   0.6088   69.020   0.6967   69.820   0.9985 -0.8069000 1.218000 
1 1 1   -2    2   10 o   40.170   0.2734   40.800   0.3510   39.540   0.4193 1.259000 0.5468000 
1 1 1   -2    2   11 o   11.080   0.1641   11.070   0.2159   11.090   0.2472 -0.1222000E-01 0.3282000 
1 1 1   -2    2   12 o   9.3070   0.1954   9.2880   0.2550   9.3270   0.2962 -0.3907000E-01 0.3908000 
1 1 1   -2    2   13 o   26.530   0.1889   26.860   0.2689   26.200   0.2653 0.6629000 0.3777000 
1 1 1   -2    2   14 o   59.910   0.3324   60.050   0.4361   59.780   0.5017 0.2769000 0.6647000 
1 1 1   -2    2   15 o   14.750   0.1827   14.490   0.2409   15.010   0.2748 -0.5208000 0.3654000 
1 1 1   -2    2   16 o   43.820   0.2591   43.730   0.3379   43.910   0.3928 -0.1798000 0.5182000 
1 1 1   -2    2   17 o   54.410   0.3711   54.060   0.4659   54.770   0.5778 -0.7121000 0.7422000 
1 1 1   -2    2   18 o   14.250   0.4472  ?   ?    14.250   0.4472      ?      ? 
1 1 1   -2    2   19 o   13.900   0.2696   13.510   0.3549   14.280   0.4058 -0.7716000 0.5391000 
1 1 1   -2    2   20 o   16.110   0.2475   16.370   0.3150   15.860   0.3819 0.5010000 0.4951000 
1 1 1   -2    2   21 o   35.990   0.2362   35.850   0.3081   36.140   0.3582 -0.2831000 0.4725000 
1 1 1   -2    2   22 o   9.6610   0.5327   9.8160   0.6164   9.5070   0.8690 0.3091000 1.065000 
1 1 1   -2    2   23 o   24.360   0.2088   24.500   0.2745   24.220   0.3146 0.2818000 0.4175000 
1 1 1   -2    2   24 o   11.250   0.2813   11.430   0.3649   11.060   0.4284 0.3687000 0.5627000 
1 1 1   -2    2   25 o   3.1740   0.7417   2.7190   1.0190   3.6290   1.0780 -0.9091000 1.483000 
1 1 1   -2    2   26 o   3.8830   0.7291   3.8460   0.9901   3.9190   1.0710 -0.7359000E-01 1.458000 
1 1 1   -2    2   27 o   8.2290   0.3779   8.4540   0.4719   8.0040   0.5904 0.4503000 0.7558000 
1 1 1   -2    2   28 o   10.490   0.3090   10.380   0.4041   10.610   0.4675 -0.2287000 0.6179000 
1 1 1   -2    2   29 o   6.9960   0.5367   7.0120   0.6516   6.9800   0.8529 0.3200000E-01 1.073000 
1 1 1   -2    2   30 o   2.7790   0.7366   3.6990   1.1750   1.8580   0.8888 1.841000 1.473000 
1 1 1   -2    2   31 o   6.4190   0.5237   5.9710   0.7341   6.8670   0.7470 -0.8958000 1.047000 
1 1 1   -2    2   32 o   2.7630   0.7726   2.9750   1.0990   2.5520   1.0860 0.4223000 1.545000 
1 1 1   -2    2   33 o   6.9910   0.6156   6.7810   0.8561   7.2010   0.8849 -0.4200000 1.231000 
1 1 1   -2    2   34 o   2.8020   1.3420   2.8020   1.3420  ?   ?       ?      ? 
1 1 1   -2    4    1 o   29.090   0.2177   28.600   0.3031   29.570   0.3126 -0.9703000 0.4354000 
1 1 1   -2    4    2 o   35.190   0.3656  ?   ?    35.190   0.3656      ?      ? 
1 1 1   -2    4    3 o   55.210   0.3215   54.580   0.4498   55.840   0.4595 -1.267000 0.6430000 
1 1 1   -2    4    4 o   37.620   0.2256   37.920   0.3210   37.330   0.3170 0.5862000 0.4512000 
1 1 1   -2    4    5 o  101.200   0.5821  101.100   0.8227  101.300   0.8238 -0.1312000 1.164000 
1 1 1   -2    4    6 o   31.720   0.1980   31.660   0.2800   31.780   0.2800 -0.1189000 0.3960000 
1 1 1   -2    4    7 o  101.400   0.5843  101.200   0.8250  101.600   0.8277 -0.3652000 1.169000 
1 1 1   -2    4    8 o   32.180   0.2508   32.420   0.3564   31.940   0.3530 0.4837000 0.5016000 
1 1 1   -2    4    9 o   40.520   0.2757   40.640   0.3505   40.400   0.4255 0.2465000 0.5513000 
1 1 1   -2    4   10 o   10.280   0.1841   10.650   0.2552   9.9110   0.2655 0.7398000 0.3683000 
1 1 1   -2    4   11 o   18.920   0.1646   18.920   0.2330   18.920   0.2325 -0.1261000E-02 0.3291000 
1 1 1   -2    4   12 o   20.340   0.1720   20.520   0.2448   20.160   0.2417 0.3578000 0.3440000 
1 1 1   -2    4   13 f   25.560   0.1886   25.640   0.2676   25.470   0.2659 0.1726000 0.3773000 
1 1 1   -2    4   14 o   3.9110   0.5649   4.2090   0.7301   3.6130   0.8622 0.5958000 1.130000 
1 1 1   -2    4   15 o   26.850   0.1909   26.710   0.2483   26.980   0.2902 -0.2681000 0.3819000 
1 1 1   -2    4   16 o   31.200   0.2133   31.130   0.2775   31.270   0.3239 -0.1410000 0.4266000 
1 1 1   -2    4   17 o   5.5040   0.6876   5.6050   0.9054   5.4030   1.0350 0.2023000 1.375000 
1 1 1   -2    4   18 o   33.440   0.2254   33.010   0.2927   33.860   0.3429 -0.8585000 0.4509000 
1 1 1   -2    4   19 o   19.260   0.2328   19.320   0.3002   19.190   0.3559 0.1308000 0.4655000 
1 1 1   -2    4   20 f   18.840   0.2263   18.800   0.2932   18.880   0.3449 -0.7820000E-01 0.4527000 
1 1 1   -2    4   21 o   9.6920   0.3331   9.7300   0.4383   9.6540   0.5016 0.7533000E-01 0.6661000 
1 1 1   -2    4   22 o   12.360   0.6746  ?   ?    12.360   0.6746      ?      ? 
1 1 1   -2    4   23 o   15.220   0.2333   15.380   0.3056   15.050   0.3527 0.3291000 0.4667000 
1 1 1   -2    4   24 o   20.140   0.2160   20.220   0.2806   20.050   0.3283 0.1701000 0.4319000 
1 1 1   -2    4   25 f   3.9240   0.7090   3.1460   1.0350   4.7010   0.9694 -1.555000 1.418000 
1 1 1   -2    4   26 o   3.2590   0.7486   3.5380   1.0070   2.9800   1.1080 0.5581000 1.497000 
1 1 1   -2    4   27 o   3.7070   0.7483   3.3570   1.0420   4.0570   1.0750 -0.7000000 1.497000 
1 1 1   -2    4   28 o   8.7780   0.3533   8.8300   0.4664   8.7260   0.5308 0.1043000 0.7066000 
1 1 1   -2    4   29 o   4.2690   0.8744   4.2940   1.2150   4.2440   1.2580 0.5041000E-01 1.749000 
1 1 1   -2    4   30 o   9.4290   0.3659   8.5990   0.5337   10.260   0.5007 -1.659000 0.7318000 
1 1 1   -2    4   31 o   7.9710   0.4305   7.6800   0.5807   8.2620   0.6357 -0.5822000 0.8610000 
1 1 1   -2    4   32 o   2.3970   0.7287   1.9140   0.8937   2.8800   1.1510 -0.9666000 1.457000 
1 1 1   -2    4   33 o   2.8670   0.9131   2.4350   1.1330   3.3000   1.4320 -0.8649000 1.826000 
1 1 1   -2    6    1 o   27.020   0.1519   26.940   0.2140   27.100   0.2155 -0.1600000 0.3037000 
1 1 1   -2    6    2 o   67.790   0.3408   67.550   0.4802   68.040   0.4837 -0.4856000 0.6816000 
1 1 1   -2    6    3 o   53.320   0.2930   53.080   0.4413   53.570   0.3856 -0.4894000 0.5860000 
1 1 1   -2    6    4 o   51.510   0.3040   51.570   0.4304   51.460   0.4294 0.1054000 0.6079000 
1 1 1   -2    6    5 o   76.530   0.4440   76.330   0.6262   76.740   0.6296 -0.4179000 0.8880000 
1 1 1   -2    6    6 o   84.010   0.5968   83.680   0.8409   84.340   0.8470 -0.6665000 1.194000 
1 1 1   -2    6    7 o   63.940   0.5638   63.720   0.6481   64.170   0.9229 -0.4413000 1.128000 
1 1 1   -2    6    8 o   29.220   0.1958   29.490   0.2783   28.960   0.2754 0.5275000 0.3915000 
1 1 1   -2    6    9 o   17.420   0.1658   17.450   0.2352   17.390   0.2337 0.5400000E-01 0.3316000 
1 1 1   -2    6   10 f   21.600   0.1730   21.490   0.2450   21.700   0.2444 -0.2103000 0.3461000 
1 1 1   -2    6   11 o   24.500   0.1841   24.430   0.2595   24.580   0.2613 -0.1508000 0.3683000 
1 1 1   -2    6   12 o   32.150   0.2157   32.200   0.3062   32.100   0.3038 0.9404000E-01 0.4314000 
1 1 1   -2    6   13 o   39.900   0.2530   40.320   0.3613   39.490   0.3543 0.8244000 0.5061000 
1 1 1   -2    6   14 o   44.210   0.2767   44.440   0.3937   43.980   0.3891 0.4555000 0.5535000 
1 1 1   -2    6   15 o   4.2990   0.6970   4.5710   0.9433   4.0280   1.0260 0.5429000 1.394000 
1 1 1   -2    6   16 o   31.970   0.2845   31.630   0.3999   32.320   0.4047 -0.6941000 0.5689000 
1 1 1   -2    6   17 o   22.950   0.2424   22.500   0.3720   23.390   0.3108 -0.8854000 0.4848000 
1 1 1   -2    6   18 o   27.980   0.2360   27.670   0.3336   28.290   0.3340 -0.6133000 0.4721000 
1 1 1   -2    6   19 o   31.200   0.2434   31.430   0.3456   30.960   0.3428 0.4663000 0.4868000 
1 1 1   -2    6   20 o   12.240   0.2805   12.180   0.3768   12.310   0.4157 -0.1321000 0.5611000 
1 1 1   -2    6   21 o   26.770   0.3419   26.630   0.4092   26.900   0.5478 -0.2666000 0.6838000 
1 1 1   -2    6   22 o   14.440   0.2931   14.370   0.3729   14.520   0.4522 -0.1542000 0.5861000 
1 1 1   -2    6   23 o   2.5620   0.7087   2.9830   1.0370   2.1410   0.9663 0.8420000 1.417000 
1 1 1   -2    6   24 o   6.3500   0.4697   5.7350   0.6828   6.9640   0.6452 -1.229000 0.9394000 
1 1 1   -2    6   25 o   6.6590   0.4568   7.0800   0.5583   6.2390   0.7232 0.8411000 0.9136000 
1 1 1   -2    6   26 o   5.8920   0.5080   5.6780   0.6896   6.1070   0.7462 -0.4289000 1.016000 
1 1 1   -2    6   27 o   4.0810   0.7158   3.9960   0.9786   4.1660   1.0450 -0.1697000 1.432000 
1 1 1   -2    6   28 o   2.6970   0.7068   1.8750   0.8622   3.5190   1.1200 -1.644000 1.414000 
1 1 1   -2    6   29 o   2.2610   0.7378   2.0120   0.9673   2.5090   1.1140 -0.4971000 1.476000 
1 1 1   -2    6   30 o   4.5170   0.7167   4.1900   0.9981   4.8430   1.0290 -0.6533000 1.433000 
1 1 1   -2    6   31 o   2.8590   0.7733   3.1110   1.0990   2.6060   1.0880 0.5051000 1.547000 
1 1 1   -2    6   32 o   2.2690   0.6972   2.6140   1.0520   1.9240   0.9153 0.6906000 1.394000 
1 1 1   -2    6   33 o   4.5150   1.0200   4.2540   1.3680   4.7770   1.5130 -0.5231000 2.040000 
1 1 1   -2    8    1 o   15.690   0.1572   15.800   0.2229   15.580   0.2218 0.2255000 0.3144000 
1 1 1   -2    8    2 o   65.250   0.3823   64.920   0.5381   65.590   0.5433 -0.6758000 0.7647000 
1 1 1   -2    8    3 o   45.700   0.3375   45.580   0.4763   45.820   0.4781 -0.2391000 0.6749000 
1 1 1   -2    8    4 o   64.060   0.4610   63.710   0.6489   64.410   0.6551 -0.7027000 0.9221000 
1 1 1   -2    8    5 o   17.460   0.1801   17.090   0.2298   17.830   0.2775 -0.7386000 0.3603000 
1 1 1   -2    8    6 o   37.850   0.2370   37.910   0.3358   37.780   0.3346 0.1297000 0.4740000 
1 1 1   -2    8    7 f   25.280   0.1842   25.180   0.2596   25.380   0.2615 -0.2017000 0.3685000 
1 1 1   -2    8    8 o   41.770   0.2594   41.730   0.3665   41.820   0.3673 -0.9009000E-01 0.5189000 
1 1 1   -2    8    9 o   37.600   0.2400   37.770   0.3407   37.430   0.3381 0.3440000 0.4799000 
1 1 1   -2    8   10 o   14.740   0.1879   14.300   0.2691   15.180   0.2622 -0.8791000 0.3757000 
1 1 1   -2    8   11 o   12.460   0.2114   12.080   0.3049   12.850   0.2929 -0.7677000 0.4228000 
1 1 1   -2    8   12 o   18.470   0.1927   18.300   0.2743   18.630   0.2706 -0.3301000 0.3853000 
1 1 1   -2    8   13 o   16.500   0.2587   16.260   0.3783   16.750   0.3531 -0.4940000 0.5175000 
1 1 1   -2    8   14 o   20.380   0.2113   20.190   0.2996   20.570   0.2980 -0.3896000 0.4226000 
1 1 1   -2    8   15 o   28.920   0.2744   28.540   0.3855   29.300   0.3907 -0.7547000 0.5489000 
1 1 1   -2    8   16 o   35.220   0.2732   35.360   0.4216   35.080   0.3476 0.2815000 0.5464000 
1 1 1   -2    8   17 o   23.950   0.2327   23.610   0.3307   24.300   0.3275 -0.6897000 0.4654000 
1 1 1   -2    8   18 o   21.120   0.2394   20.710   0.3407   21.540   0.3363 -0.8315000 0.4787000 
1 1 1   -2    8   19 o   28.560   0.2351   28.310   0.3346   28.810   0.3305 -0.5037000 0.4703000 
1 1 1   -2    8   20 o   5.4380   0.7671   5.7200   1.0930   5.1560   1.0770 0.5643000 1.534000 
1 1 1   -2    8   21 o   6.1870   0.6036   6.5110   0.7121   5.8640   0.9748 0.6472000 1.207000 
1 1 1   -2    8   22 o   18.910   0.2342   18.910   0.3296   18.920   0.3329 -0.8238000E-02 0.4685000 
1 1 1   -2    8   23 o   7.0960   0.4537   6.9720   0.6482   7.2200   0.6349 -0.2489000 0.9073000 
1 1 1   -2    8   24 o   11.500   0.2871   11.320   0.3824   11.670   0.4284 -0.3544000 0.5743000 
1 1 1   -2    8   25 f   11.760   0.2858   12.140   0.3650   11.370   0.4399 0.7734000 0.5716000 
1 1 1   -2    8   26 o   3.0320   0.7400   3.4090   1.0230   2.6550   1.0690 0.7540000 1.480000 
1 1 1   -2    8   27 o   2.3020   0.6748   2.7280   1.0180   1.8770   0.8857 0.8512000 1.350000 
1 1 1   -2    8   28 o   4.1990   0.8438   3.9890   1.1170   4.4080   1.2650 -0.4190000 1.688000 
1 1 1   -2    8   29 o   6.3260   0.5663   5.6290   0.8932   7.0230   0.6963 -1.394000 1.133000 
1 1 1   -2    8   30 o   2.4390   0.7300   2.1070   0.9453   2.7710   1.1130 -0.6635000 1.460000 
1 1 1   -2    8   31 o   4.0760   0.7481   4.7630   0.9318   3.3890   1.1710 1.375000 1.496000 
1 1 1   -2    8   32 o   2.5460   0.7740   1.8990   0.9145   3.1920   1.2490 -1.292000 1.548000 
1 1 1   -2   10    1 o   41.950   0.2252   42.220   0.3198   41.690   0.3171 0.5385000 0.4504000 
1 1 1   -2   10    2 o   41.030   0.2212   40.900   0.3118   41.160   0.3137 -0.2644000 0.4423000 
1 1 1   -2   10    3 o   25.040   0.1615   25.070   0.2290   25.020   0.2277 0.4568000E-01 0.3229000 
1 1 1   -2   10    4 o   24.240   0.1734   24.260   0.2622   24.220   0.2270 0.4044000E-01 0.3468000 
1 1 1   -2   10    5 f   8.1290   0.2491   8.4280   0.3704   7.8300   0.3331 0.5981000 0.4982000 
1 1 1   -2   10    6 o   24.250   0.1877   24.360   0.2649   24.130   0.2660 0.2334000 0.3754000 
1 1 1   -2   10    7 o   13.810   0.1969   13.880   0.2747   13.750   0.2821 0.1266000 0.3938000 
1 1 1   -2   10    8 o   26.650   0.1995   26.750   0.2811   26.560   0.2831 0.1854000 0.3989000 
1 1 1   -2   10    9 o   22.550   0.1917   22.420   0.2716   22.690   0.2708 -0.2660000 0.3835000 
1 1 1   -2   10   10 o   15.910   0.1997   16.240   0.2760   15.580   0.2889 0.6563000 0.3995000 
1 1 1   -2   10   11 o   8.6010   0.3012   9.0490   0.4025   8.1520   0.4481 0.8976000 0.6024000 
1 1 1   -2   10   12 o   29.490   0.2432   29.170   0.3106   29.810   0.3744 -0.6348000 0.4865000 
1 1 1   -2   10   13 o   54.000   0.4062   54.280   0.5772   53.710   0.5718 0.5720000 0.8124000 
1 1 1   -2   10   14 o   26.070   0.3192   26.130   0.5086   26.000   0.3859 0.1353000 0.6384000 
1 1 1   -2   10   15 o   4.2380   0.7815   4.7680   1.1170   3.7090   1.0930 1.059000 1.563000 
1 1 1   -2   10   16 o   25.290   0.2333   25.350   0.3360   25.240   0.3237 0.1081000 0.4666000 
1 1 1   -2   10   17 o   10.850   0.3434   11.470   0.4770   10.230   0.4942 1.236000 0.6869000 
1 1 1   -2   10   18 o   21.450   0.2357   21.440   0.3455   21.460   0.3206 -0.2599000E-01 0.4713000 
1 1 1   -2   10   19 o   4.2080   0.8930   3.9730   1.3160   4.4420   1.2080 -0.4686000 1.786000 
1 1 1   -2   10   20 o   11.110   0.3493   10.840   0.4575   11.370   0.5279 -0.5377000 0.6985000 
1 1 1   -2   10   21 o   6.7870   0.4781   7.2180   0.6265   6.3560   0.7223 0.8622000 0.9561000 
1 1 1   -2   10   22 o   13.210   0.3207   12.590   0.5172   13.840   0.3792 -1.254000 0.6414000 
1 1 1   -2   10   23 o   3.0660   0.7537   2.4880   1.0310   3.6430   1.0990 -1.155000 1.507000 
1 1 1   -2   10   24 f   2.3050   0.7044   2.5190   1.0400   2.0920   0.9505 0.4268000 1.409000 
1 1 1   -2   10   25 o   4.9470   0.6676   5.3190   0.8722   4.5760   1.0110 0.7428000 1.335000 
1 1 1   -2   10   26 o   2.0710   0.6635   2.1710   0.9650   1.9710   0.9109 0.1994000 1.327000 
1 1 1   -2   10   27 o   2.4440   0.7624   2.3600   1.0270   2.5290   1.1270 -0.1687000 1.525000 
1 1 1   -2   10   28 f   3.0050   0.8051   2.9110   1.1370   3.1000   1.1400 -0.1883000 1.610000 
1 1 1   -2   10   29 o   2.7710   0.7746   2.7360   1.0640   2.8060   1.1260 -0.6971000E-01 1.549000 
1 1 1   -2   10   30 o   4.8600   0.6902   5.9080   0.7468   3.8120   1.1610 2.096000 1.380000 
1 1 1   -2   10   31 o   2.3190   0.7456   2.2800   1.0340   2.3580   1.0750 -0.7825000E-01 1.491000 
1 1 1   -2   10   32 o   1.9450   0.6647   1.8480   0.8877   2.0430   0.9895 -0.1959000 1.329000 
1 1 1   -2   12    1 o   41.650   0.2281   41.700   0.3227   41.600   0.3226 0.1008000 0.4563000 
1 1 1   -2   12    2 f   32.610   0.1927   32.270   0.2704   32.940   0.2746 -0.6701000 0.3854000 
1 1 1   -2   12    3 o   57.370   0.2987   57.410   0.4226   57.330   0.4223 0.7728000E-01 0.5975000 
1 1 1   -2   12    4 o   21.980   0.1901   22.430   0.2702   21.530   0.2674 0.8981000 0.3801000 
1 1 1   -2   12    5 o   23.430   0.1827   23.790   0.2777   23.080   0.2375 0.7146000 0.3655000 
1 1 1   -2   12    6 o   43.960   0.2585   44.160   0.3922   43.760   0.3369 0.4004000 0.5171000 
1 1 1   -2   12    7 o   14.850   0.2378   15.080   0.2893   14.620   0.3774 0.4667000 0.4756000 
1 1 1   -2   12    8 o   12.550   0.2346   12.290   0.3284   12.820   0.3352 -0.5278000 0.4693000 
1 1 1   -2   12    9 o   27.220   0.2388   26.780   0.3683   27.660   0.3041 -0.8797000 0.4776000 
1 1 1   -2   12   10 o   12.960   0.2451   12.750   0.3466   13.160   0.3468 -0.4073000 0.4903000 
1 1 1   -2   12   11 o   9.1040   0.4426   9.8360   0.5396   8.3710   0.7017 1.465000 0.8852000 
1 1 1   -2   12   12 o   22.820   0.3226   22.500   0.5095   23.150   0.3957 -0.6530000 0.6451000 
1 1 1   -2   12   13 o   18.570   0.2495   18.390   0.3806   18.750   0.3226 -0.3556000 0.4990000 
1 1 1   -2   12   14 o   24.180   0.2279   24.140   0.3240   24.210   0.3205 -0.7105000E-01 0.4558000 
1 1 1   -2   12   15 o   18.550   0.2431   18.550   0.3446   18.550   0.3430 0.2981000E-02 0.4862000 
1 1 1   -2   12   16 o   38.050   0.2646   38.000   0.3755   38.110   0.3729 -0.1090000 0.5292000 
1 1 1   -2   12   17 o   38.580   0.3284   38.470   0.4700   38.690   0.4586 -0.2214000 0.6567000 
1 1 1   -2   12   18 o   3.9410   0.9178   4.6710   1.2730   3.2100   1.3220 1.461000 1.836000 
1 1 1   -2   12   19 o   9.0120   0.4132   9.1280   0.5425   8.8960   0.6234 0.2328000 0.8264000 
1 1 1   -2   12   20 o   18.410   0.2437   18.530   0.3512   18.280   0.3381 0.2493000 0.4875000 
1 1 1   -2   12   21 o   4.1470   0.7568   3.7900   1.1310   4.5030   1.0060 -0.7133000 1.514000 
1 1 1   -2   12   22 o   9.2060   0.3713   9.0840   0.5375   9.3280   0.5124 -0.2440000 0.7426000 
1 1 1   -2   12   23 o   11.480   0.3179   10.690   0.4826   12.270   0.4140 -1.575000 0.6358000 
1 1 1   -2   12   24 o   9.3200   0.3681   9.4520   0.5232   9.1870   0.5180 0.2652000 0.7362000 
1 1 1   -2   12   25 o   3.1240   0.7787   2.9820   1.0870   3.2660   1.1160 -0.2839000 1.557000 
1 1 1   -2   12   26 o   2.6940   0.8067   2.9690   1.1850   2.4180   1.0950 0.5505000 1.613000 
1 1 1   -2   12   27 o   7.0300   0.5440   6.3030   0.8933   7.7560   0.6210 -1.454000 1.088000 
1 1 1   -2   12   28 o   2.9330   0.7812   3.3970   1.1460   2.4690   1.0620 0.9286000 1.562000 
1 1 1   -2   12   29 o   6.3730   0.5591   6.6030   0.7511   6.1430   0.8285 0.4596000 1.118000 
1 1 1   -2   12   30 o   3.0030   0.8003   3.6300   1.2100   2.3750   1.0480 1.256000 1.601000 
1 1 1   -2   12   31 o   2.3920   0.7949   1.8950   0.9083   2.8890   1.3050 -0.9939000 1.590000 
1 1 1   -2   14    1 o   28.260   0.1853   28.240   0.2617   28.280   0.2625 -0.4636000E-01 0.3706000 
1 1 1   -2   14    2 o   28.140   0.1848   28.360   0.2610   27.930   0.2616 0.4324000 0.3696000 
1 1 1   -2   14    3 o   18.510   0.1916   18.300   0.2509   18.710   0.2897 -0.4093000 0.3833000 
1 1 1   -2   14    4 o   54.030   0.3093   54.090   0.4682   53.970   0.4042 0.1213000 0.6185000 
1 1 1   -2   14    5 o   24.560   0.1943   24.600   0.2924   24.510   0.2558 0.8805000E-01 0.3885000 
1 1 1   -2   14    6 o   31.220   0.2139   31.240   0.3231   31.210   0.2804 0.3265000E-01 0.4278000 
1 1 1   -2   14    7 o   42.990   0.3101   42.610   0.4775   43.380   0.3958 -0.7794000 0.6202000 
1 1 1   -2   14    8 o   33.700   0.2669   33.430   0.4104   33.980   0.3414 -0.5496000 0.5338000 
1 1 1   -2   14    9 o   20.550   0.3125   20.820   0.4937   20.280   0.3834 0.5404000 0.6251000 
1 1 1   -2   14   10 o   30.790   0.2584   30.660   0.3949   30.930   0.3332 -0.2674000 0.5167000 
1 1 1   -2   14   11 o   32.280   0.2414   32.550   0.3426   32.000   0.3402 0.5430000 0.4828000 
1 1 1   -2   14   12 o   14.760   0.2706   14.790   0.3731   14.730   0.3921 0.5560000E-01 0.5413000 
1 1 1   -2   14   13 f   20.080   0.2731   19.850   0.4263   20.320   0.3416 -0.4721000 0.5463000 
1 1 1   -2   14   14 o   19.920   0.2411   19.990   0.3387   19.860   0.3432 0.1321000 0.4822000 
1 1 1   -2   14   15 o   22.640   0.2892   22.890   0.4171   22.390   0.4008 0.5021000 0.5785000 
1 1 1   -2   14   16 f   21.080   0.2908   21.410   0.4181   20.750   0.4044 0.6628000 0.5816000 
1 1 1   -2   14   17 o   10.290   0.3740   10.400   0.4782   10.180   0.5752 0.2174000 0.7480000 
1 1 1   -2   14   18 o   3.3830   0.7936   3.0050   1.1140   3.7600   1.1310 -0.7554000 1.587000 
1 1 1   -2   14   19 o   22.250   0.2332   22.000   0.3337   22.510   0.3258 -0.5155000 0.4663000 
1 1 1   -2   14   20 o   14.430   0.2699   14.100   0.3903   14.750   0.3731 -0.6433000 0.5399000 
1 1 1   -2   14   21 o   8.9250   0.3765   9.1710   0.5214   8.6790   0.5433 0.4921000 0.7530000 
1 1 1   -2   14   22 o   6.1660   0.5290   6.1260   0.7575   6.2060   0.7387 -0.7983000E-01 1.058000 
1 1 1   -2   14   23 o   8.2380   0.4177   7.9320   0.6063   8.5450   0.5747 -0.6126000 0.8354000 
1 1 1   -2   14   24 o   3.6180   0.7911   3.2310   1.1470   4.0050   1.0890 -0.7734000 1.582000 
1 1 1   -2   14   25 o   6.1820   0.7096   6.4650   0.9254   5.9000   1.0760 0.5655000 1.419000 
1 1 1   -2   14   26 o   5.1570   0.7282   4.5100   1.1940   5.8040   0.8343 -1.294000 1.456000 
1 1 1   -2   14   27 o   2.7100   0.7767   2.9140   1.1350   2.5070   1.0600 0.4066000 1.553000 
1 1 1   -2   14   28 o   4.0000   0.7855   3.3010   1.1760   4.7000   1.0410 -1.399000 1.571000 
1 1 1   -2   14   29 o   3.6240   0.9068   4.5410   1.3840   2.7080   1.1720 1.833000 1.814000 
1 1 1   -2   14   30 o   1.8390   0.6337   1.9770   0.9414   1.7000   0.8485 0.2771000 1.267000 
1 1 1   -2   16    1 o   10.370   0.3700   10.260   0.5190   10.480   0.5275 -0.2164000 0.7400000 
1 1 1   -2   16    2 o   55.690   0.4198   55.740   0.5936   55.630   0.5937 0.1023000 0.8396000 
1 1 1   -2   16    3 o   16.150   0.2846   15.570   0.4029   16.720   0.4020 -1.151000 0.5691000 
1 1 1   -2   16    4 o   23.090   0.2442   23.450   0.3715   22.720   0.3171 0.7225000 0.4884000 
1 1 1   -2   16    5 o   33.610   0.2699   33.730   0.4164   33.490   0.3435 0.2406000 0.5398000 
1 1 1   -2   16    6 o   19.770   0.2501   19.320   0.3871   20.220   0.3167 -0.8945000 0.5002000 
1 1 1   -2   16    7 o   3.0310   0.7582   3.1370   1.1130   2.9260   1.0300 0.2108000 1.516000 
1 1 1   -2   16    8 o   18.100   0.2227   18.470   0.3323   17.730   0.2967 0.7330000 0.4454000 
1 1 1   -2   16    9 o   15.880   0.2379   15.820   0.3583   15.950   0.3131 -0.1318000 0.4758000 
1 1 1   -2   16   10 o   18.260   0.2403   18.410   0.3393   18.100   0.3403 0.3129000 0.4805000 
1 1 1   -2   16   11 o   35.270   0.2553   34.910   0.3606   35.630   0.3615 -0.7162000 0.5107000 
1 1 1   -2   16   12 o   22.010   0.2382   21.810   0.3357   22.210   0.3380 -0.4001000 0.4764000 
1 1 1   -2   16   13 o   21.710   0.2938   21.640   0.4222   21.780   0.4087 -0.1388000 0.5877000 
1 1 1   -2   16   14 o   2.4920   0.7988   1.7290   0.8527   3.2540   1.3510 -1.525000 1.598000 
1 1 1   -2   16   15 o   2.7050   0.7855   2.7250   1.0880   2.6850   1.1340 0.4023000E-01 1.571000 
1 1 1   -2   16   16 o   10.130   0.3471   10.050   0.4876   10.210   0.4941 -0.1532000 0.6942000 
1 1 1   -2   16   17 o   13.940   0.2777   14.230   0.3861   13.650   0.3992 0.5845000 0.5554000 
1 1 1   -2   16   18 o   6.8020   0.4909   6.7860   0.6896   6.8180   0.6988 -0.3242000E-01 0.9817000 
1 1 1   -2   16   19 o   7.0820   0.4750   6.8510   0.6834   7.3130   0.6598 -0.4615000 0.9500000 
1 1 1   -2   16   20 o   9.1870   0.3712   8.6840   0.5475   9.6900   0.5014 -1.006000 0.7424000 
1 1 1   -2   16   21 o   2.4330   0.7276   2.5110   1.0470   2.3540   1.0100 0.1568000 1.455000 
1 1 1   -2   16   22 o   2.8850   0.7537   2.3240   1.0150   3.4470   1.1150 -1.123000 1.507000 
1 1 1   -2   16   23 o   9.9760   0.4505   10.120   0.6001   9.8360   0.6720 0.2813000 0.9009000 
1 1 1   -2   16   24 o   2.6130   0.8063   2.3810   1.0740   2.8450   1.2020 -0.4638000 1.613000 
1 1 1   -2   16   25 o   6.6780   0.5669   6.9520   0.8504   6.4040   0.7498 0.5486000 1.134000 
1 1 1   -2   16   26 o   6.4070   0.5601   6.7680   0.7478   6.0460   0.8341 0.7223000 1.120000 
1 1 1   -2   16   27 o   2.3400   0.7290   2.1820   0.9920   2.4980   1.0680 -0.3156000 1.458000 
1 1 1   -2   16   28 o   3.8730   0.9322   3.9060   1.3450   3.8390   1.2910 0.6663000E-01 1.864000 
1 1 1   -2   16   29 o   3.7880   0.8698   3.2450   1.1830   4.3300   1.2760 -1.085000 1.740000 
1 1 1   -2   18    1 o   33.730   0.2157   33.610   0.3035   33.850   0.3066 -0.2351000 0.4314000 
1 1 1   -2   18    2 o   20.580   0.2027   20.920   0.2832   20.240   0.2902 0.6819000 0.4055000 
1 1 1   -2   18    3 o   22.940   0.1999   22.830   0.2813   23.050   0.2841 -0.2199000 0.3998000 
1 1 1   -2   18    4 o   14.950   0.2501   14.680   0.3771   15.220   0.3286 -0.5464000 0.5002000 
1 1 1   -2   18    5 o   17.220   0.2331   17.080   0.3504   17.370   0.3076 -0.2855000 0.4663000 
1 1 1   -2   18    6 o   6.6170   0.4920   7.4810   0.6715   5.7530   0.7193 1.728000 0.9840000 
1 1 1   -2   18    7 o   16.840   0.2402   17.010   0.3665   16.670   0.3106 0.3476000 0.4804000 
1 1 1   -2   18    8 o   16.480   0.2394   16.330   0.3618   16.630   0.3137 -0.3020000 0.4789000 
1 1 1   -2   18    9 o   13.600   0.3268   13.960   0.5060   13.230   0.4137 0.7262000 0.6536000 
1 1 1   -2   18   10 o   18.370   0.2817   18.450   0.4397   18.290   0.3521 0.1599000 0.5633000 
1 1 1   -2   18   11 o   7.7210   0.4375   7.4170   0.6456   8.0250   0.5907 -0.6082000 0.8750000 
1 1 1   -2   18   12 o   16.530   0.2771   16.700   0.3552   16.350   0.4253 0.3502000 0.5541000 
1 1 1   -2   18   13 o   16.640   0.2547   16.800   0.3620   16.480   0.3584 0.3196000 0.5094000 
1 1 1   -2   18   14 o   19.310   0.2453   19.350   0.3399   19.260   0.3538 0.8238000E-01 0.4906000 
1 1 1   -2   18   15 o   3.9870   0.7964   3.7630   1.1130   4.2110   1.1400 -0.4481000 1.593000 
1 1 1   -2   18   16 o   3.0170   0.7928   2.7620   1.0760   3.2710   1.1640 -0.5085000 1.586000 
1 1 1   -2   18   17 o   8.3560   0.4051   8.6110   0.5512   8.1020   0.5938 0.5087000 0.8102000 
1 1 1   -2   18   18 o   8.1450   0.4059   8.2070   0.5732   8.0840   0.5748 0.1234000 0.8117000 
1 1 1   -2   18   19 o   13.930   0.2790   13.990   0.3904   13.860   0.3987 0.1309000 0.5580000 
1 1 1   -2   18   20 o   17.020   0.2584   16.730   0.3710   17.310   0.3598 -0.5844000 0.5168000 
1 1 1   -2   18   21 o   8.2860   0.4931   7.9920   0.6233   8.5800   0.7642 -0.5886000 0.9862000 
1 1 1   -2   18   22 f   9.0830   0.4979   8.8270   0.6884   9.3380   0.7196 -0.5110000 0.9958000 
1 1 1   -2   18   23 o   8.7490   0.4350   9.1080   0.6523   8.3910   0.5757 0.7170000 0.8700000 
1 1 1   -2   18   24 o   2.1240   0.6850   1.9860   0.9357   2.2630   1.0010 -0.2771000 1.370000 
1 1 1   -2   18   25 o   3.7270   0.8107   3.3290   1.1650   4.1260   1.1270 -0.7971000 1.621000 
1 1 1   -2   18   26 o   4.2170   0.7939   4.7110   1.0610   3.7220   1.1810 0.9888000 1.588000 
1 1 1   -2   18   27 o   5.1010   0.8370   3.8060   1.3590   6.3970   0.9769 -2.592000 1.674000 
1 1 1   -2   18   28 o   3.5010   1.5050   3.5010   1.5050  ?   ?       ?      ? 
1 1 1   -2   20    1 o   13.810   0.3557   13.370   0.5249   14.240   0.4802 -0.8677000 0.7114000 
1 1 1   -2   20    2 o   6.9990   0.6202   6.4390   0.9545   7.5590   0.7921 -1.120000 1.240000 
1 1 1   -2   20    3 o   4.8050   0.8526   4.9360   1.2050   4.6750   1.2060 0.2610000 1.705000 
1 1 1   -2   20    4 o   23.220   0.2902   23.350   0.4131   23.080   0.4078 0.2742000 0.5805000 
1 1 1   -2   20    5 o   12.150   0.3806   13.120   0.5147   11.180   0.5608 1.937000 0.7611000 
1 1 1   -2   20    6 o   9.5920   0.3781   8.4150   0.5898   10.770   0.4732 -2.354000 0.7561000 
1 1 1   -2   20    7 o   20.280   0.2396   19.890   0.3447   20.670   0.3329 -0.7816000 0.4792000 
1 1 1   -2   20    8 o   9.5620   0.3558   8.8720   0.5662   10.250   0.4312 -1.379000 0.7117000 
1 1 1   -2   20    9 o   13.950   0.2601   13.990   0.3886   13.900   0.3459 0.9065000E-01 0.5202000 
1 1 1   -2   20   10 o   13.750   0.2625   13.670   0.3953   13.840   0.3456 -0.1710000 0.5251000 
1 1 1   -2   20   11 o   7.4860   0.4210   7.1010   0.6593   7.8710   0.5239 -0.7706000 0.8421000 
1 1 1   -2   20   12 o   10.730   0.3099   11.040   0.4516   10.420   0.4246 0.6230000 0.6198000 
1 1 1   -2   20   13 o   7.6620   0.4165   8.1050   0.5995   7.2190   0.5782 0.8858000 0.8329000 
1 1 1   -2   20   14 o   2.5480   0.7459   2.6920   1.0800   2.4040   1.0290 0.2879000 1.492000 
1 1 1   -2   20   15 o   11.630   0.3072   11.470   0.4339   11.790   0.4350 -0.3190000 0.6144000 
1 1 1   -2   20   16 o   6.2370   0.5525   6.5320   0.6919   5.9410   0.8616 0.5907000 1.105000 
1 1 1   -2   20   17 o   10.340   0.3517   10.130   0.4894   10.550   0.5052 -0.4198000 0.7033000 
1 1 1   -2   20   18 o   10.160   0.3538   9.9810   0.5029   10.330   0.4978 -0.3509000 0.7076000 
1 1 1   -2   20   19 o   6.8050   0.6722   5.9990   1.0120   7.6120   0.8850 -1.613000 1.344000 
1 1 1   -2   20   20 o   7.9850   0.5565   8.1210   0.7332   7.8490   0.8374 0.2716000 1.113000 
1 1 1   -2   20   21 o   11.030   0.3788   10.750   0.5809   11.310   0.4862 -0.5606000 0.7575000 
1 1 1   -2   20   22 o   2.7430   0.7855   2.7020   1.1060   2.7840   1.1150 -0.8161000E-01 1.571000 
1 1 1   -2   20   23 o   2.5460   0.7616   2.3710   1.0360   2.7210   1.1170 -0.3499000 1.523000 
1 1 1   -2   20   24 o   3.3190   0.8309   3.3530   1.1780   3.2850   1.1720 0.6818000E-01 1.662000 
1 1 1   -2   20   25 o   2.8310   0.8483   3.2790   1.3010   2.3840   1.0890 0.8949000 1.697000 
1 1 1   -2   20   26 o   1.7290   0.6003   1.8860   0.9043   1.5720   0.7896 0.3141000 1.201000 
1 1 1   -2   22    1 o   11.800   0.2795   11.860   0.3871   11.740   0.4032 0.1158000 0.5589000 
1 1 1   -2   22    2 o   8.3460   0.3690   8.6150   0.5018   8.0780   0.5411 0.5371000 0.7379000 
1 1 1   -2   22    3 o   17.820   0.2214   17.940   0.3121   17.690   0.3143 0.2552000 0.4429000 
1 1 1   -2   22    4 o   11.760   0.2784   11.850   0.3881   11.660   0.3993 0.1898000 0.5568000 
1 1 1   -2   22    5 o   12.600   0.2839   12.210   0.4336   13.000   0.3666 -0.7880000 0.5678000 
1 1 1   -2   22    6 o   6.6380   0.4882   6.5180   0.7534   6.7580   0.6212 -0.2405000 0.9765000 
1 1 1   -2   22    7 o   9.0960   0.3665   9.1820   0.5546   9.0110   0.4794 0.1706000 0.7330000 
1 1 1   -2   22    8 o   12.680   0.2894   12.270   0.4502   13.080   0.3638 -0.8064000 0.5788000 
1 1 1   -2   22    9 o   3.6870   0.7564   3.5010   1.1310   3.8730   1.0050 -0.3721000 1.513000 
1 1 1   -2   22   10 o   6.2960   0.4954   6.9340   0.6740   5.6570   0.7262 1.276000 0.9908000 
1 1 1   -2   22   11 o   9.5340   0.3386   8.6830   0.5356   10.380   0.4144 -1.701000 0.6772000 
1 1 1   -2   22   12 o   3.0290   0.7407   3.7120   1.1080   2.3460   0.9832 1.366000 1.481000 
1 1 1   -2   22   13 o   7.8080   0.4053   7.5870   0.6216   8.0300   0.5202 -0.4432000 0.8106000 
1 1 1   -2   22   14 o   9.6470   0.3393   9.9160   0.4987   9.3790   0.4601 0.5374000 0.6785000 
1 1 1   -2   22   15 o   1.9310   0.6282   2.4650   1.0470   1.3970   0.6947 1.068000 1.256000 
1 1 1   -2   22   16 o   5.3560   0.7980   5.0370   1.1250   5.6750   1.1320 -0.6380000 1.596000 
1 1 1   -2   22   17 o   3.2070   0.7824   4.3440   1.2020   2.0710   1.0020 2.273000 1.565000 
1 1 1   -2   22   18 o   3.4230   0.8395   3.0490   1.1880   3.7980   1.1870 -0.7485000 1.679000 
1 1 1   -2   22   19 o   4.2950   0.8175   3.7390   1.2520   4.8520   1.0510 -1.113000 1.635000 
1 1 1   -2   22   20 o   4.9500   0.7314   5.0940   1.0210   4.8060   1.0480 0.2882000 1.463000 
1 1 1   -2   22   21 o   2.4140   0.7491   2.3690   1.0510   2.4580   1.0680 -0.8894000E-01 1.498000 
1 1 1   -2   22   22 o   2.2960   0.7281   2.4540   1.0660   2.1370   0.9919 0.3169000 1.456000 
1 1 1   -2   22   23 o   11.940   0.4392   12.030   0.6302   11.840   0.6119 0.1904000 0.8784000 
1 1 1   -2   22   24 o   3.1020   0.8341   3.4840   1.1780   2.7210   1.1810 0.7628000 1.668000 
1 1 1   -2   24    1 o   6.9540   0.4300   7.1510   0.5945   6.7560   0.6213 0.3955000 0.8599000 
1 1 1   -2   24    2 o   3.4150   0.6910   4.3510   0.9417   2.4790   1.0120 1.873000 1.382000 
1 1 1   -2   24    3 o   6.9540   0.4557   8.3610   0.5085   5.5460   0.7564 2.815000 0.9114000 
1 1 1   -2   24    4 o   11.090   0.2933   11.290   0.4059   10.890   0.4234 0.4001000 0.5865000 
1 1 1   -2   24    5 o   12.800   0.2843   12.590   0.4350   13.020   0.3660 -0.4263000 0.5685000 
1 1 1   -2   24    6 o   15.350   0.2559   15.330   0.3890   15.370   0.3327 -0.4173000E-01 0.5118000 
1 1 1   -2   24    7 o   16.320   0.2510   15.790   0.3861   16.840   0.3207 -1.045000 0.5019000 
1 1 1   -2   24    8 o   10.080   0.3357   10.320   0.5025   9.8440   0.4453 0.4734000 0.6714000 
1 1 1   -2   24    9 o   7.4750   0.4319   7.0000   0.6777   7.9490   0.5357 -0.9493000 0.8639000 
1 1 1   -2   24   10 o   8.9240   0.3684   8.7120   0.5647   9.1350   0.4731 -0.4229000 0.7367000 
1 1 1   -2   24   11 o   3.0490   0.7290   3.8830   1.0940   2.2150   0.9634 1.668000 1.458000 
1 1 1   -2   24   12 o   5.2250   0.6708   6.2140   0.7544   4.2360   1.1090 1.978000 1.342000 
1 1 1   -2   24   13 o   2.2880   0.7239   2.0970   0.9815   2.4790   1.0640 -0.3824000 1.448000 
1 1 1   -2   24   14 o   3.5960   0.8892   3.7450   1.2380   3.4460   1.2770 0.2990000 1.778000 
1 1 1   -2   24   15 o   4.1670   0.7673   5.3310   1.0180   3.0030   1.1480 2.328000 1.535000 
1 1 1   -2   24   16 o   2.8360   0.8011   2.5620   1.1060   3.1090   1.1590 -0.5467000 1.602000 
1 1 1   -2   24   17 o   3.6710   0.7610   4.3750   1.0540   2.9670   1.0980 1.408000 1.522000 
1 1 1   -2   24   18 o   2.2150   0.7073   2.2070   0.9920   2.2230   1.0090 -0.1598000E-01 1.415000 
1 1 1   -2   24   19 o   3.7420   0.8290   3.3620   1.1680   4.1220   1.1770 -0.7596000 1.658000 
1 1 1   -2   24   20 o   2.7440   0.8386   3.0970   1.2680   2.3910   1.0980 0.7055000 1.677000 
1 1 1   -2   24   21 o   1.9460   0.6557   1.8330   0.8862   2.0600   0.9666 -0.2272000 1.311000 
1 1 1   -2   24   22 o   5.1390   1.0130   5.4870   1.2650   4.7920   1.5830 0.6943000 2.026000 
1 1 1   -2   26    1 o   4.7850   0.6055   4.6440   0.8652   4.9250   0.8473 -0.2805000 1.211000 
1 1 1   -2   26    2 f   2.0500   0.6469   1.9440   0.8841   2.1560   0.9447 -0.2129000 1.294000 
1 1 1   -2   26    3 o   5.6390   0.5140   5.5420   0.7448   5.7360   0.7087 -0.1938000 1.028000 
1 1 1   -2   26    4 o   4.3290   0.6624   4.2800   0.9352   4.3770   0.9385 -0.9666000E-01 1.325000 
1 1 1   -2   26    5 o   11.210   0.3071   11.790   0.4486   10.640   0.4195 1.141000 0.6142000 
1 1 1   -2   26    6 o   10.820   0.3758   10.670   0.5777   10.970   0.4809 -0.3039000 0.7516000 
1 1 1   -2   26    7 o   2.3510   0.7449   2.3400   1.0720   2.3630   1.0350 -0.2338000E-01 1.490000 
1 1 1   -2   26    8 o   6.7440   0.5810   6.8690   0.8713   6.6190   0.7689 0.2501000 1.162000 
1 1 1   -2   26    9 o   2.8430   0.8622   2.7120   1.2180   2.9740   1.2200 -0.2622000 1.724000 
1 1 1   -2   26   10 o   5.2190   0.7094   5.7770   0.9882   4.6600   1.0180 1.117000 1.419000 
1 1 1   -2   26   11 o   8.7960   0.4410   8.9110   0.6721   8.6810   0.5712 0.2300000 0.8820000 
1 1 1   -2   26   12 o   4.4400   0.7054   3.7700   1.1290   5.1090   0.8463 -1.339000 1.411000 
1 1 1   -2   26   13 o   11.460   0.3151   11.720   0.4611   11.190   0.4296 0.5262000 0.6303000 
1 1 1   -2   26   14 o   4.7930   0.6764   3.5590   1.1350   6.0260   0.7360 -2.467000 1.353000 
1 1 1   -2   26   15 o   2.9750   0.7773   2.7680   1.1020   3.1820   1.0960 -0.4137000 1.555000 
1 1 1   -2   26   16 o   4.5410   0.7283   4.3220   1.1000   4.7600   0.9544 -0.4387000 1.457000 
1 1 1   -2   26   17 o   1.9660   0.6704   2.0110   0.9752   1.9210   0.9200 0.9062000E-01 1.341000 
1 1 1   -2   26   18 o   2.0080   0.6513   2.5300   1.0700   1.4870   0.7424 1.043000 1.303000 
1 1 1   -2   26   19 f   1.7070   0.5917   1.8020   0.8717   1.6120   0.8003 0.1898000 1.183000 
1 1 1   -2   28    1 o   2.9130   0.7718   2.3210   0.9921   3.5060   1.1820 -1.185000 1.544000 
1 1 1   -2   28    2 o   6.0400   0.5039   6.4670   0.6681   5.6130   0.7545 0.8533000 1.008000 
1 1 1   -2   28    3 o   2.3910   0.6937   2.8920   1.0730   1.8910   0.8790 1.002000 1.387000 
1 1 1   -2   28    4 o   3.5990   0.7474   3.7880   1.0420   3.4100   1.0710 0.3781000 1.495000 
1 1 1   -2   28    5 o   5.2720   0.6573   4.3450   1.1130   6.1990   0.6995 -1.854000 1.315000 
1 1 1   -2   28    6 o   2.8000   0.7733   2.8430   1.1260   2.7570   1.0600 0.8593000E-01 1.547000 
1 1 1   -2   28    7 o   4.3950   0.7329   3.7170   1.1870   5.0730   0.8607 -1.355000 1.466000 
1 1 1   -2   28    8 f   4.2750   0.7054   5.7840   0.9210   2.7650   1.0690 3.019000 1.411000 
1 1 1   -2   28    9 o   5.3410   0.6453   5.9950   0.8852   4.6860   0.9392 1.309000 1.291000 
1 1 1   -2   28   10 o   6.7180   0.5000   6.6520   0.7656   6.7840   0.6435 -0.1317000 1.000000 
1 1 1   -2   28   11 f   4.1880   0.7363   5.2520   0.9796   3.1230   1.0990 2.129000 1.473000 
1 1 1   -2   28   12 o   5.2010   0.7994   4.5280   1.3240   5.8730   0.8967 -1.345000 1.599000 
1 1 1   -2   28   13 o   1.9790   0.6765   2.4390   1.1190   1.5190   0.7609 0.9197000 1.353000 
1 1 1   -2   28   14 o   2.2710   0.7203   1.8690   0.9156   2.6720   1.1120 -0.8037000 1.441000 
1 1 1   -2   28   15 o   2.5350   0.7563   2.8350   1.1270   2.2360   1.0090 0.5992000 1.513000 
1 1 1   -2   30    1 o   3.3730   0.7695   2.8580   1.0930   3.8880   1.0840 -1.030000 1.539000 
1 1 1   -2   30    2 o   2.1210   0.6729   2.3780   1.0200   1.8650   0.8777 0.5129000 1.346000 
1 1 1   -2   30    3 o   2.2940   0.7057   2.3830   1.0210   2.2050   0.9741 0.1780000 1.411000 
1 1 1   -2   30    4 o   2.2070   0.7014   2.7180   1.1300   1.6950   0.8318 1.023000 1.403000 
1 1 1   -2   30    5 o   2.7330   0.8000   2.3020   1.0770   3.1640   1.1840 -0.8626000 1.600000 
1 1 1   -2   30    6 o   3.2450   0.8700   2.9170   1.2640   3.5730   1.1960 -0.6559000 1.740000 
1 1 1   -2   30    7 o   5.3480   0.7553   3.3190   1.3300   7.3770   0.7161 -4.058000 1.511000 
1 1 1   -2   30    8 o   3.3890   0.8961   4.0700   1.3510   2.7080   1.1770 1.361000 1.792000 
1 1 1   -2   30    9 o   3.0490   0.7943   3.6870   1.1880   2.4100   1.0540 1.277000 1.589000 
1 1 1   -2   30   10 o   2.2900   0.7160   2.7000   1.1180   1.8790   0.8952 0.8204000 1.432000 
1 1 1   -1    1    1 o   40.990   0.2643   41.200   0.3364   40.780   0.4077 0.4185000 0.5286000 
1 1 1   -1    1    2 o   8.7590   0.0754   8.9030   0.1068   8.6160   0.1064 0.2875000 0.1508000 
1 1 1   -1    1    3 o   15.910   0.1054   16.030   0.1500   15.780   0.1482 0.2480000 0.2108000 
1 1 1   -1    1    4 o   26.230   0.2397   26.550   0.3939   25.920   0.2733 0.6356000 0.4794000 
1 1 1   -1    1    5 o   3.8200   0.1966   3.3650   0.2901   4.2740   0.2653 -0.9093000 0.3931000 
1 1 1   -1    1    6 o   14.820   0.1484   15.730   0.2097   13.920   0.2100 1.813000 0.2968000 
1 1 1   -1    1    7 o   31.450   0.1812   31.260   0.2356   31.650   0.2754 -0.3922000 0.3624000 
1 1 1   -1    1    8 o   46.880   0.2592   46.850   0.3390   46.920   0.3922 -0.6589000E-01 0.5184000 
1 1 1   -1    1    9 o   32.830   0.2514   33.250   0.3597   32.400   0.3514 0.8475000 0.5028000 
1 1 1   -1    1   10 o   49.460   0.2544   49.080   0.3572   49.840   0.3623 -0.7659000 0.5088000 
1 1 1   -1    1   11 o   7.8190   0.1895   7.7740   0.2704   7.8640   0.2654 -0.8970000E-01 0.3789000 
1 1 1   -1    1   12 o   20.480   0.1438   20.680   0.2043   20.280   0.2023 0.4001000 0.2875000 
1 1 1   -1    1   13 o   20.470   0.1494   20.510   0.2106   20.430   0.2119 0.7564000E-01 0.2987000 
1 1 1   -1    1   14 o   45.650   0.2418   45.570   0.3414   45.730   0.3424 -0.1598000 0.4835000 
1 1 1   -1    1   15 o   30.510   0.1827   30.300   0.2574   30.720   0.2594 -0.4173000 0.3655000 
1 1 1   -1    1   16 o   54.840   0.2875   54.960   0.4072   54.720   0.4059 0.2354000 0.5750000 
1 1 1   -1    1   17 o   39.210   0.2898   38.830   0.3662   39.590   0.4491 -0.7569000 0.5795000 
1 1 1   -1    1   18 o   16.880   0.2809   16.990   0.3920   16.770   0.4024 0.2242000 0.5618000 
1 1 1   -1    1   19 o   5.0350   0.6845   4.9430   0.9053   5.1260   1.0270 -0.1834000 1.369000 
1 1 1   -1    1   20 o   4.7580   0.7015   6.0080   0.7384   3.5070   1.1930 2.500000 1.403000 
1 1 1   -1    1   21 o   28.370   0.2157   28.320   0.2824   28.430   0.3262 -0.1158000 0.4315000 
1 1 1   -1    1   22 f   6.7810   0.7342   5.8300   0.9968   7.7320   1.0780 -1.901000 1.468000 
1 1 1   -1    1   23 o   29.270   0.2186   29.180   0.2858   29.360   0.3308 -0.1863000 0.4371000 
1 1 1   -1    1   24 o   10.080   0.3119   10.230   0.4040   9.9300   0.4754 0.2993000 0.6239000 
1 1 1   -1    1   25 o   3.2120   0.7273   3.6800   0.9864   2.7440   1.0690 0.9362000 1.455000 
1 1 1   -1    1   26 o   14.490   0.2491   14.580   0.3209   14.400   0.3810 0.1811000 0.4981000 
1 1 1   -1    1   27 f   5.5760   0.5600   5.6280   0.7175   5.5240   0.8600 0.1044000 1.120000 
1 1 1   -1    1   28 o   5.2720   0.5956   5.9220   0.6764   4.6220   0.9806 1.300000 1.191000 
1 1 1   -1    1   29 o   9.8890   0.4312   9.8540   0.6038   9.9250   0.6158 -0.7047000E-01 0.8624000 
1 1 1   -1    1   30 o   4.6160   0.6754   3.1400   1.0860   6.0930   0.8031 -2.953000 1.351000 
1 1 1   -1    1   31 o   2.7720   0.7511   1.9980   0.9400   3.5460   1.1720 -1.548000 1.502000 
1 1 1   -1    1   32 o   2.0680   0.6760   1.8240   0.8807   2.3120   1.0260 -0.4884000 1.352000 
1 1 1   -1    1   33 o   2.7900   0.9196   3.1590   1.4190   2.4200   1.1710 0.7390000 1.839000 
1 1 1   -1    3    1 o   7.7020   0.0973   7.6890   0.1479   7.7160   0.1265 -0.2689000E-01 0.1947000 
1 1 1   -1    3    2 o   14.120   0.1335   13.690   0.1854   14.560   0.1922 -0.8720000 0.2670000 
1 1 1   -1    3    3 o   22.740   0.2153   22.280   0.3459   23.190   0.2565 -0.9129000 0.4306000 
1 1 1   -1    3    4 o   52.410   0.3053   52.090   0.4293   52.740   0.4342 -0.6496000 0.6106000 
1 1 1   -1    3    5 o   46.960   0.2759   47.080   0.3911   46.840   0.3892 0.2324000 0.5518000 
1 1 1   -1    3    6 o   57.860   0.3371   57.940   0.4774   57.790   0.4761 0.1552000 0.6742000 
1 1 1   -1    3    7 o   36.050   0.2196   35.800   0.3090   36.300   0.3123 -0.4947000 0.4393000 
1 1 1   -1    3    8 o  133.800   0.7705  133.300   1.0860  134.200   1.0930 -0.8828000 1.541000 
1 1 1   -1    3    9 f   43.420   0.3918   43.350   0.4528   43.500   0.6394 -0.1481000 0.7835000 
1 1 1   -1    3   10 o   10.650   0.1773   10.910   0.2466   10.390   0.2548 0.5134000 0.3546000 
1 1 1   -1    3   11 o   15.080   0.1625   15.090   0.2288   15.070   0.2309 0.1673000E-01 0.3251000 
1 1 1   -1    3   12 f   13.410   0.1641   13.510   0.2168   13.310   0.2463 0.2048000 0.3281000 
1 1 1   -1    3   13 o   31.680   0.1975   31.680   0.2588   31.680   0.2984 0.5064000E-02 0.3950000 
1 1 1   -1    3   14 o   14.240   0.1786   14.100   0.2356   14.380   0.2686 -0.2800000 0.3573000 
1 1 1   -1    3   15 o   7.5160   0.3132   8.1760   0.3649   6.8570   0.5092 1.319000 0.6265000 
1 1 1   -1    3   16 o   51.610   0.2966   51.460   0.3868   51.760   0.4497 -0.3019000 0.5931000 
1 1 1   -1    3   17 f   11.860   0.3387   11.530   0.4784   12.200   0.4795 -0.6725000 0.6774000 
1 1 1   -1    3   18 o   14.280   0.2446   14.720   0.3125   13.830   0.3764 0.8905000 0.4892000 
1 1 1   -1    3   19 o   23.120   0.2194   23.130   0.2832   23.120   0.3351 0.1488000E-01 0.4388000 
1 1 1   -1    3   20 o   35.440   0.2360   35.140   0.3071   35.750   0.3585 -0.6107000 0.4721000 
1 1 1   -1    3   21 o   14.250   0.2515   14.350   0.3277   14.160   0.3815 0.1978000 0.5029000 
1 1 1   -1    3   22 o   8.0850   0.6803   9.5810   0.6307   6.5880   1.2060 2.993000 1.361000 
1 1 1   -1    3   23 o   13.340   0.2542   13.410   0.3278   13.280   0.3885 0.1285000 0.5083000 
1 1 1   -1    3   24 o   8.8490   0.3449   8.6570   0.4578   9.0410   0.5160 -0.3833000 0.6898000 
1 1 1   -1    3   25 o   17.080   0.2253   17.160   0.2942   16.990   0.3414 0.1667000 0.4506000 
1 1 1   -1    3   26 o   3.3440   0.7348   2.7030   1.0120   3.9840   1.0660 -1.281000 1.470000 
1 1 1   -1    3   27 o   2.7510   0.7436   2.5080   0.9953   2.9950   1.1050 -0.4870000 1.487000 
1 1 1   -1    3   28 o   1.7000   0.5725   1.8770   0.8612   1.5220   0.7544 0.3544000 1.145000 
1 1 1   -1    3   29 o   2.6470   0.7677   1.8450   0.8994   3.4500   1.2450 -1.605000 1.535000 
1 1 1   -1    3   30 o   2.8700   0.7831   2.6810   1.0710   3.0580   1.1430 -0.3768000 1.566000 
1 1 1   -1    3   31 o   2.7820   0.7807   2.7840   1.0850   2.7810   1.1230 0.3395000E-02 1.561000 
1 1 1   -1    3   32 o   2.6570   0.7574   2.9900   1.1080   2.3230   1.0330 0.6667000 1.515000 
1 1 1   -1    3   33 o   6.3070   0.9193   6.8810   1.0490   5.7330   1.5100 1.148000 1.839000 
1 1 1   -1    5    1 o   72.400   0.3623   72.670   0.5143   72.140   0.5105 0.5357000 0.7247000 
1 1 1   -1    5    2 o   71.230   0.3855   71.270   0.5831   71.200   0.5043 0.6474000E-01 0.7709000 
1 1 1   -1    5    3 o   25.990   0.1683   26.120   0.2384   25.850   0.2375 0.2693000 0.3365000 
1 1 1   -1    5    4 o   88.650   0.5110   88.460   0.7210   88.850   0.7243 -0.3902000 1.022000 
1 1 1   -1    5    5 o   80.050   0.4630   79.610   0.6513   80.490   0.6581 -0.8774000 0.9259000 
1 1 1   -1    5    6 o   63.290   0.3693   63.190   0.5216   63.390   0.5230 -0.2009000 0.7386000 
1 1 1   -1    5    7 o   70.300   0.5021   69.910   0.7063   70.700   0.7138 -0.7854000 1.004000 
1 1 1   -1    5    8 o   34.590   0.3235   34.910   0.3809   34.270   0.5231 0.6373000 0.6471000 
1 1 1   -1    5    9 o   32.280   0.2082   32.250   0.2946   32.300   0.2941 -0.4275000E-01 0.4163000 
1 1 1   -1    5   10 o   14.010   0.1707   14.010   0.2437   14.010   0.2391 -0.1274000E-02 0.3414000 
1 1 1   -1    5   11 o   8.9260   0.2267   9.5760   0.3071   8.2760   0.3336 1.300000 0.4535000 
1 1 1   -1    5   12 o   29.430   0.2024   29.470   0.2868   29.400   0.2856 0.7434000E-01 0.4048000 
1 1 1   -1    5   13 o   27.310   0.1973   27.340   0.2794   27.280   0.2787 0.6522000E-01 0.3947000 
1 1 1   -1    5   14 o   21.650   0.2132   21.320   0.3332   21.980   0.2660 -0.6640000 0.4263000 
1 1 1   -1    5   15 o   18.800   0.2061   18.960   0.2909   18.630   0.2921 0.3292000 0.4122000 
1 1 1   -1    5   16 o   7.6780   0.4961   6.9230   0.7511   8.4330   0.6483 -1.511000 0.9922000 
1 1 1   -1    5   17 o   4.4790   0.7591   3.0750   1.1550   5.8820   0.9856 -2.807000 1.518000 
1 1 1   -1    5   18 o   28.180   0.2172   27.620   0.2822   28.750   0.3304 -1.122000 0.4345000 
1 1 1   -1    5   19 o   44.030   0.2703   43.560   0.3503   44.510   0.4118 -0.9565000 0.5407000 
1 1 1   -1    5   20 o   16.250   0.2389   16.270   0.3121   16.240   0.3617 0.3390000E-01 0.4777000 
1 1 1   -1    5   21 o   10.980   0.3654   10.770   0.4872   11.190   0.5446 -0.4225000 0.7307000 
1 1 1   -1    5   22 o   23.020   0.2525   22.910   0.3197   23.130   0.3910 -0.2207000 0.5050000 
1 1 1   -1    5   23 o   17.610   0.2215   17.400   0.2921   17.820   0.3331 -0.4181000 0.4431000 
1 1 1   -1    5   24 o   8.6330   0.3562   8.9430   0.4485   8.3240   0.5534 0.6185000 0.7123000 
1 1 1   -1    5   25 o   7.6650   0.3923   7.4020   0.5392   7.9270   0.5701 -0.5254000 0.7847000 
1 1 1   -1    5   26 o   5.7520   0.5227   5.8510   0.6652   5.6530   0.8065 0.1982000 1.045000 
1 1 1   -1    5   27 o   11.090   0.2967   11.100   0.3929   11.080   0.4448 0.2148000E-01 0.5935000 
1 1 1   -1    5   28 o   8.9110   0.3503   9.2190   0.4403   8.6030   0.5450 0.6161000 0.7006000 
1 1 1   -1    5   29 o   5.8150   0.7445   5.2800   1.1150   6.3500   0.9874 -1.070000 1.489000 
1 1 1   -1    5   30 o   7.8560   0.4320   8.1820   0.5378   7.5300   0.6762 0.6515000 0.8640000 
1 1 1   -1    5   31 o   7.4360   0.4812   8.2910   0.5606   6.5820   0.7821 1.709000 0.9623000 
1 1 1   -1    5   32 o   2.2690   0.7134   2.2330   0.9892   2.3040   1.0280 -0.7126000E-01 1.427000 
1 1 1   -1    5   33 o   2.8140   0.8889   2.5690   1.1690   3.0590   1.3400 -0.4901000 1.778000 
1 1 1   -1    7    1 o   74.470   0.3740   74.490   0.5290   74.450   0.5290 0.3420000E-01 0.7481000 
1 1 1   -1    7    2 o   64.160   0.3242   64.120   0.4582   64.190   0.4589 -0.7291000E-01 0.6485000 
1 1 1   -1    7    3 o   39.560   0.2255   39.400   0.3399   39.710   0.2964 -0.3111000 0.4510000 
1 1 1   -1    7    4 o   23.420   0.2064   23.220   0.2904   23.610   0.2933 -0.3893000 0.4127000 
1 1 1   -1    7    5 o   27.470   0.2744   27.450   0.3223   27.500   0.4442 -0.4725000E-01 0.5488000 
1 1 1   -1    7    6 o   21.190   0.2435   21.240   0.2893   21.140   0.3918 0.1006000 0.4870000 
1 1 1   -1    7    7 o   35.240   0.2239   34.990   0.3140   35.490   0.3192 -0.4902000 0.4477000 
1 1 1   -1    7    8 o   24.160   0.1801   23.980   0.2538   24.340   0.2556 -0.3680000 0.3602000 
1 1 1   -1    7    9 o   13.640   0.2058   13.220   0.3288   14.050   0.2475 -0.8252000 0.4115000 
1 1 1   -1    7   10 o   17.970   0.1781   18.260   0.2547   17.670   0.2491 0.5852000 0.3563000 
1 1 1   -1    7   11 o   15.080   0.2152   15.430   0.2693   14.720   0.3356 0.7184000 0.4303000 
1 1 1   -1    7   12 o   12.240   0.2093   12.020   0.3007   12.460   0.2912 -0.4454000 0.4186000 
1 1 1   -1    7   13 o   20.350   0.1896   20.210   0.2678   20.500   0.2686 -0.2920000 0.3793000 
1 1 1   -1    7   14 o   46.980   0.2924   47.080   0.4147   46.890   0.4124 0.1958000 0.5849000 
1 1 1   -1    7   15 o   23.550   0.2629   23.440   0.3691   23.670   0.3745 -0.2301000 0.5258000 
1 1 1   -1    7   16 o   18.630   0.3253   18.100   0.5218   19.160   0.3886 -1.063000 0.6506000 
1 1 1   -1    7   17 o   23.240   0.2260   23.210   0.3231   23.270   0.3161 -0.6085000E-01 0.4520000 
1 1 1   -1    7   18 o   19.030   0.2481   19.150   0.3559   18.920   0.3457 0.2372000 0.4962000 
1 1 1   -1    7   19 o   10.550   0.3559   10.520   0.5115   10.580   0.4951 -0.5855000E-01 0.7118000 
1 1 1   -1    7   20 o   18.410   0.2941   18.040   0.4311   18.780   0.4001 -0.7466000 0.5882000 
1 1 1   -1    7   21 f   3.6700   0.9518   3.3820   1.2550   3.9580   1.4310 -0.5763000 1.904000 
1 1 1   -1    7   22 o   10.930   0.2990   11.310   0.3752   10.540   0.4657 0.7733000 0.5981000 
1 1 1   -1    7   23 o  10.0000   0.3175   10.040   0.4114   9.9670   0.4836 0.6959000E-01 0.6350000 
1 1 1   -1    7   24 o   11.580   0.2834   11.610   0.3660   11.550   0.4326 0.6524000E-01 0.5667000 
1 1 1   -1    7   25 o   7.9550   0.3792   7.7450   0.5067   8.1650   0.5642 -0.4202000 0.7583000 
1 1 1   -1    7   26 o   2.2090   0.6765   1.8100   0.8429   2.6080   1.0590 -0.7987000 1.353000 
1 1 1   -1    7   27 o   3.3120   0.7495   2.8890   1.0330   3.7350   1.0860 -0.8468000 1.499000 
1 1 1   -1    7   28 o   7.5800   0.5042   7.5750   0.6272   7.5850   0.7897 -0.1023000E-01 1.008000 
1 1 1   -1    7   29 o   5.0030   0.6875   4.3080   1.0790   5.6980   0.8528 -1.390000 1.375000 
1 1 1   -1    7   30 o   1.9700   0.6489   1.9570   0.9036   1.9840   0.9315 -0.2681000E-01 1.298000 
1 1 1   -1    7   31 o   2.1950   0.6960   2.0990   0.9475   2.2900   1.0200 -0.1912000 1.392000 
1 1 1   -1    7   32 o   3.1380   0.8489   3.4460   1.2080   2.8310   1.1930 0.6150000 1.698000 
1 1 1   -1    7   33 o   2.1950   0.7100   2.6100   1.1120   1.7800   0.8836 0.8306000 1.420000 
1 1 1   -1    9    1 f   31.440   0.2303   31.750   0.3584   31.130   0.2895 0.6237000 0.4607000 
1 1 1   -1    9    2 o   54.920   0.3061   54.300   0.3965   55.540   0.4665 -1.245000 0.6122000 
1 1 1   -1    9    3 o   39.350   0.2121   39.190   0.2987   39.510   0.3011 -0.3245000 0.4241000 
1 1 1   -1    9    4 o   20.100   0.1594   20.370   0.2413   19.820   0.2085 0.5548000 0.3188000 
1 1 1   -1    9    5 o   8.7680   0.2279   8.8650   0.3184   8.6720   0.3262 0.1931000 0.4558000 
1 1 1   -1    9    6 o   20.570   0.1756   20.920   0.2482   20.210   0.2486 0.7026000 0.3512000 
1 1 1   -1    9    7 o   49.590   0.3008   50.010   0.4285   49.160   0.4221 0.8530000 0.6015000 
1 1 1   -1    9    8 o   16.170   0.1822   16.300   0.2551   16.050   0.2602 0.2493000 0.3644000 
1 1 1   -1    9    9 o   51.700   0.3136   51.410   0.4407   52.000   0.4461 -0.5878000 0.6271000 
1 1 1   -1    9   10 o   17.780   0.1877   17.800   0.2649   17.760   0.2661 0.3988000E-01 0.3755000 
1 1 1   -1    9   11 o   25.270   0.1982   25.320   0.2807   25.220   0.2799 0.9993000E-01 0.3964000 
1 1 1   -1    9   12 o   29.620   0.2149   29.700   0.3045   29.530   0.3033 0.1736000 0.4298000 
1 1 1   -1    9   13 o   13.040   0.2718   12.400   0.3673   13.680   0.4008 -1.281000 0.5436000 
1 1 1   -1    9   14 o   31.730   0.2869   31.410   0.4083   32.050   0.4032 -0.6344000 0.5738000 
1 1 1   -1    9   15 o   48.680   0.3403   48.560   0.5252   48.800   0.4329 -0.2362000 0.6806000 
1 1 1   -1    9   16 o   62.120   0.3769   61.880   0.5316   62.350   0.5344 -0.4741000 0.7538000 
1 1 1   -1    9   17 o   8.0140   0.4575   7.9560   0.6510   8.0730   0.6430 -0.1165000 0.9150000 
1 1 1   -1    9   18 f   5.7520   0.6154   5.7340   0.8786   5.7700   0.8621 -0.3621000E-01 1.231000 
1 1 1   -1    9   19 o   12.180   0.3729   11.530   0.5673   12.830   0.4840 -1.293000 0.7457000 
1 1 1   -1    9   20 o   8.7210   0.5586   7.8300   0.7789   9.6130   0.8010 -1.783000 1.117000 
1 1 1   -1    9   21 o   8.7700   0.3820   9.0190   0.5252   8.5210   0.5547 0.4975000 0.7639000 
1 1 1   -1    9   22 o   12.190   0.2934   11.540   0.4325   12.840   0.3967 -1.301000 0.5869000 
1 1 1   -1    9   23 o   13.010   0.2823   12.960   0.3978   13.060   0.4007 -0.9829000E-01 0.5646000 
1 1 1   -1    9   24 o   9.9280   0.3419   10.060   0.4726   9.7950   0.4943 0.2679000 0.6838000 
1 1 1   -1    9   25 o   4.3610   0.6906   4.1520   0.9511   4.5690   1.0020 -0.4174000 1.381000 
1 1 1   -1    9   26 o   3.9190   0.7375   3.9050   0.9889   3.9330   1.0940 -0.2836000E-01 1.475000 
1 1 1   -1    9   27 o   3.2870   0.8055   3.4030   1.0440   3.1700   1.2270 0.2330000 1.611000 
1 1 1   -1    9   28 o   4.1050   0.9082   4.1500   1.2770   4.0600   1.2910 0.9053000E-01 1.816000 
1 1 1   -1    9   29 o   7.7850   0.4309   7.4640   0.5912   8.1060   0.6271 -0.6424000 0.8618000 
1 1 1   -1    9   30 o   2.2770   0.6824   2.8480   1.0820   1.7060   0.8323 1.142000 1.365000 
1 1 1   -1    9   31 o   2.0150   0.6611   2.0330   0.9308   1.9970   0.9392 0.3636000E-01 1.322000 
1 1 1   -1    9   32 o   2.3340   0.7829   2.3150   1.0790   2.3520   1.1350 -0.3699000E-01 1.566000 
1 1 1   -1   11    1 o   47.850   0.2533   47.930   0.3585   47.760   0.3580 0.1688000 0.5066000 
1 1 1   -1   11    2 o   14.590   0.1796   15.120   0.2690   14.050   0.2382 1.073000 0.3593000 
1 1 1   -1   11    3 o   31.710   0.2019   31.550   0.2628   31.870   0.3067 -0.3159000 0.4039000 
1 1 1   -1   11    4 o   22.080   0.1980   21.910   0.3224   22.250   0.2299 -0.3447000 0.3959000 
1 1 1   -1   11    5 o   13.140   0.1943   13.230   0.2954   13.040   0.2524 0.1876000 0.3885000 
1 1 1   -1   11    6 o   16.100   0.1781   16.120   0.2684   16.080   0.2343 0.4732000E-01 0.3563000 
1 1 1   -1   11    7 o   31.390   0.2178   31.510   0.3084   31.270   0.3076 0.2387000 0.4356000 
1 1 1   -1   11    8 o   32.560   0.2242   32.560   0.3165   32.560   0.3178 -0.2136000E-03 0.4485000 
1 1 1   -1   11    9 o   21.490   0.1959   21.500   0.2770   21.470   0.2771 0.3063000E-01 0.3918000 
1 1 1   -1   11   10 o   12.340   0.2384   12.470   0.3318   12.200   0.3423 0.2717000 0.4767000 
1 1 1   -1   11   11 o   13.660   0.2395   13.700   0.3353   13.620   0.3422 0.7940000E-01 0.4791000 
1 1 1   -1   11   12 o   10.690   0.3680   11.090   0.4968   10.300   0.5430 0.7896000 0.7360000 
1 1 1   -1   11   13 o   28.900   0.3333   28.720   0.5371   29.080   0.3949 -0.3619000 0.6667000 
1 1 1   -1   11   14 o   19.640   0.2475   19.640   0.3783   19.650   0.3194 -0.1304000E-01 0.4951000 
1 1 1   -1   11   15 o   14.630   0.2727   14.360   0.3888   14.890   0.3825 -0.5261000 0.5453000 
1 1 1   -1   11   16 o   22.600   0.2795   22.800   0.3926   22.400   0.3979 0.4021000 0.5590000 
1 1 1   -1   11   17 o   27.910   0.2366   27.630   0.3396   28.190   0.3296 -0.5588000 0.4732000 
1 1 1   -1   11   18 o   10.370   0.4395   10.200   0.6734   10.540   0.5651 -0.3399000 0.8791000 
1 1 1   -1   11   19 o   13.180   0.3126   13.350   0.4058   13.000   0.4757 0.3485000 0.6253000 
1 1 1   -1   11   20 f   4.7750   0.6810   3.5350   1.1390   6.0150   0.7465 -2.480000 1.362000 
1 1 1   -1   11   21 o   27.170   0.2357   26.990   0.3375   27.350   0.3292 -0.3677000 0.4714000 
1 1 1   -1   11   22 o   11.780   0.3009   11.570   0.4319   11.990   0.4191 -0.4219000 0.6018000 
1 1 1   -1   11   23 o   4.8270   0.6718   4.3830   0.9967   5.2720   0.9012 -0.8898000 1.344000 
1 1 1   -1   11   24 o   11.850   0.3001   11.680   0.4255   12.010   0.4233 -0.3322000 0.6002000 
1 1 1   -1   11   25 o   4.9270   0.6470   5.2360   0.8570   4.6190   0.9695 0.6168000 1.294000 
1 1 1   -1   11   26 o   2.8700   0.7683   2.7620   1.0680   2.9780   1.1050 -0.2162000 1.537000 
1 1 1   -1   11   27 o   4.2460   0.9247   5.0830   1.3270   3.4100   1.2880 1.673000 1.849000 
1 1 1   -1   11   28 o   4.7050   0.7244   4.7490   1.0160   4.6620   1.0330 0.8678000E-01 1.449000 
1 1 1   -1   11   29 o   3.7550   0.7868   3.4850   1.0820   4.0260   1.1430 -0.5413000 1.574000 
1 1 1   -1   11   30 o   3.8410   0.8004   3.7550   1.0960   3.9270   1.1670 -0.1720000 1.601000 
1 1 1   -1   11   31 o   2.1300   0.7082   2.1250   0.9898   2.1340   1.0130 -0.9345000E-02 1.416000 
1 1 1   -1   13    1 o   30.130   0.1867   30.350   0.2642   29.920   0.2638 0.4361000 0.3733000 
1 1 1   -1   13    2 o   10.510   0.2204   10.300   0.3122   10.730   0.3111 -0.4312000 0.4407000 
1 1 1   -1   13    3 o   32.400   0.1952   32.450   0.2760   32.350   0.2760 0.1018000 0.3903000 
1 1 1   -1   13    4 o   44.100   0.2598   44.190   0.3928   44.000   0.3402 0.1880000 0.5197000 
1 1 1   -1   13    5 o   19.360   0.1873   19.270   0.2832   19.460   0.2452 -0.1952000 0.3746000 
1 1 1   -1   13    6 o   10.250   0.2969   9.9790   0.4593   10.510   0.3764 -0.5338000 0.5938000 
1 1 1   -1   13    7 o   25.980   0.2188   26.230   0.3539   25.730   0.2574 0.5035000 0.4376000 
1 1 1   -1   13    8 o   33.200   0.2334   33.170   0.3303   33.230   0.3300 -0.6627000E-01 0.4669000 
1 1 1   -1   13    9 o   14.740   0.2975   15.190   0.3963   14.290   0.4439 0.8977000 0.5951000 
1 1 1   -1   13   10 o   63.900   0.6684  ?   ?    63.900   0.6684      ?      ? 
1 1 1   -1   13   11 o   56.590   0.3863   56.190   0.5945   56.990   0.4935 -0.7917000 0.7727000 
1 1 1   -1   13   12 o   14.140   0.2618   13.890   0.3695   14.390   0.3709 -0.5077000 0.5236000 
1 1 1   -1   13   13 o   45.650   0.2964   45.460   0.4179   45.840   0.4204 -0.3804000 0.5928000 
1 1 1   -1   13   14 o   34.730   0.2526   34.860   0.3600   34.600   0.3545 0.2591000 0.5053000 
1 1 1   -1   13   15 f   13.030   0.2921   12.870   0.4186   13.200   0.4076 -0.3284000 0.5842000 
1 1 1   -1   13   16 o   3.2720   0.8912   3.2560   1.2800   3.2880   1.2410 -0.3106000E-01 1.782000 
1 1 1   -1   13   17 o   10.210   0.4849   9.5330   0.6405   10.890   0.7281 -1.358000 0.9698000 
1 1 1   -1   13   18 o   14.070   0.2970   13.830   0.3892   14.300   0.4487 -0.4729000 0.5940000 
1 1 1   -1   13   19 o   13.160   0.2834   13.570   0.3926   12.740   0.4087 0.8303000 0.5667000 
1 1 1   -1   13   20 o  10.0000   0.3399   10.210   0.4777   9.7950   0.4836 0.4123000 0.6798000 
1 1 1   -1   13   21 o   11.930   0.3025   11.780   0.4368   12.070   0.4185 -0.2903000 0.6049000 
1 1 1   -1   13   22 f   15.130   0.2637   15.070   0.3786   15.200   0.3671 -0.1308000 0.5274000 
1 1 1   -1   13   23 o   6.9670   0.4778   6.7900   0.7071   7.1440   0.6429 -0.3540000 0.9557000 
1 1 1   -1   13   24 o   7.7900   0.4324   7.6890   0.6215   7.8910   0.6015 -0.2015000 0.8649000 
1 1 1   -1   13   25 o   5.2390   0.7974   4.1240   1.2470   6.3540   0.9948 -2.230000 1.595000 
1 1 1   -1   13   26 o   3.7330   0.9385   3.4490   1.3380   4.0170   1.3170 -0.5685000 1.877000 
1 1 1   -1   13   27 o   7.1480   0.4964   7.5900   0.6662   6.7070   0.7362 0.8826000 0.9929000 
1 1 1   -1   13   28 o   7.1410   0.5013   7.4170   0.6927   6.8650   0.7248 0.5520000 1.003000 
1 1 1   -1   13   29 o   3.4210   0.8269   3.5710   1.1670   3.2720   1.1720 0.2988000 1.654000 
1 1 1   -1   13   30 f   2.7880   0.8482   2.8910   1.2330   2.6840   1.1650 0.2076000 1.696000 
1 1 1   -1   15    1 o   24.150   0.1811   24.120   0.2557   24.180   0.2565 -0.6603000E-01 0.3622000 
1 1 1   -1   15    2 o   44.330   0.2452   44.330   0.3468   44.330   0.3467 -0.4181000E-02 0.4904000 
1 1 1   -1   15    3 o   38.110   0.2213   38.440   0.3146   37.790   0.3114 0.6483000 0.4426000 
1 1 1   -1   15    4 o   9.9620   0.2634  10.0000   0.3672   9.9200   0.3778 0.8352000E-01 0.5268000 
1 1 1   -1   15    5 o   48.340   0.3397   48.190   0.5250   48.490   0.4313 -0.2992000 0.6794000 
1 1 1   -1   15    6 o   14.280   0.3480   14.520   0.5434   14.050   0.4350 0.4711000 0.6961000 
1 1 1   -1   15    7 o   13.520   0.3661   13.710   0.5742   13.340   0.4544 0.3735000 0.7323000 
1 1 1   -1   15    8 o   32.560   0.2648   32.230   0.4068   32.890   0.3392 -0.6629000 0.5297000 
1 1 1   -1   15    9 o   21.050   0.2245   21.360   0.3163   20.730   0.3187 0.6229000 0.4491000 
1 1 1   -1   15   10 o   19.800   0.2330   19.750   0.3305   19.840   0.3284 -0.9119000E-01 0.4659000 
1 1 1   -1   15   11 o   31.700   0.2434   31.770   0.3441   31.620   0.3442 0.1512000 0.4868000 
1 1 1   -1   15   12 o   4.2330   0.7908   3.8900   1.1440   4.5760   1.0920 -0.6861000 1.582000 
1 1 1   -1   15   13 o   11.140   0.3281   11.160   0.4528   11.130   0.4750 0.2744000E-01 0.6562000 
1 1 1   -1   15   14 o   28.770   0.2961   28.520   0.4198   29.020   0.4177 -0.4928000 0.5922000 
1 1 1   -1   15   15 o   9.0570   0.5774   6.8690   0.9018   11.250   0.7214 -4.376000 1.155000 
1 1 1   -1   15   16 o   13.740   0.3033   13.450   0.3990   14.030   0.4568 -0.5792000 0.6065000 
1 1 1   -1   15   17 o   17.750   0.2488   17.390   0.3515   18.120   0.3522 -0.7381000 0.4975000 
1 1 1   -1   15   18 o   10.410   0.3369   10.420   0.4709   10.390   0.4818 0.2858000E-01 0.6737000 
1 1 1   -1   15   19 o   21.010   0.2369   20.970   0.3361   21.050   0.3339 -0.8008000E-01 0.4738000 
1 1 1   -1   15   20 f   11.540   0.3147   11.680   0.4443   11.390   0.4458 0.2908000 0.6294000 
1 1 1   -1   15   21 o   4.2140   0.7344   4.7860   0.9528   3.6420   1.1180 1.144000 1.469000 
1 1 1   -1   15   22 o   8.3140   0.3927   8.4060   0.5532   8.2220   0.5576 0.1838000 0.7855000 
1 1 1   -1   15   23 o   12.660   0.2958   12.880   0.4169   12.450   0.4197 0.4266000 0.5916000 
1 1 1   -1   15   24 o   3.3150   0.8382   2.3150   1.0570   4.3150   1.3010 -2.000000 1.676000 
1 1 1   -1   15   25 o   4.1010   0.8045   4.6910   1.1430   3.5110   1.1320 1.181000 1.609000 
1 1 1   -1   15   26 o   3.6160   0.8112   3.9190   1.1560   3.3140   1.1380 0.6050000 1.622000 
1 1 1   -1   15   27 o   2.4420   0.7485   2.5440   1.0820   2.3390   1.0350 0.2052000 1.497000 
1 1 1   -1   15   28 f   2.2710   0.7189   2.1050   0.9730   2.4370   1.0580 -0.3326000 1.438000 
1 1 1   -1   15   29 o   3.6280   0.9228   4.2390   1.3800   3.0170   1.2250 1.222000 1.846000 
1 1 1   -1   17    1 o   17.410   0.2045   17.120   0.2908   17.690   0.2877 -0.5734000 0.4091000 
1 1 1   -1   17    2 o   15.610   0.2155   15.520   0.3042   15.710   0.3053 -0.1900000 0.4310000 
1 1 1   -1   17    3 o   16.330   0.2129   16.590   0.2974   16.070   0.3047 0.5184000 0.4257000 
1 1 1   -1   17    4 o   7.9960   0.3556   7.9000   0.5069   8.0920   0.4988 -0.1914000 0.7112000 
1 1 1   -1   17    5 o   18.750   0.2215   18.860   0.3318   18.640   0.2934 0.2184000 0.4430000 
1 1 1   -1   17    6 o   42.820   0.2665   42.950   0.4038   42.680   0.3480 0.2677000 0.5331000 
1 1 1   -1   17    7 o   29.700   0.2512   29.250   0.4070   30.160   0.2945 -0.9149000 0.5024000 
1 1 1   -1   17    8 o   12.670   0.2748   12.710   0.4110   12.620   0.3649 0.8706000E-01 0.5496000 
1 1 1   -1   17    9 o   19.360   0.2282   19.240   0.3443   19.470   0.2995 -0.2310000 0.4563000 
1 1 1   -1   17   10 o   19.770   0.2238   19.310   0.3377   20.230   0.2936 -0.9206000 0.4475000 
1 1 1   -1   17   11 o   18.080   0.3109   17.910   0.4524   18.240   0.4267 -0.3336000 0.6219000 
1 1 1   -1   17   12 o   13.930   0.4033   13.740   0.5197   14.120   0.6168 -0.3724000 0.8065000 
1 1 1   -1   17   13 o   10.740   0.3772   10.830   0.4692   10.640   0.5907 0.1886000 0.7543000 
1 1 1   -1   17   14 o   8.5950   0.4234   8.8790   0.5385   8.3100   0.6534 0.5687000 0.8467000 
1 1 1   -1   17   15 o   20.520   0.2434   20.270   0.3362   20.770   0.3521 -0.4972000 0.4868000 
1 1 1   -1   17   16 o   3.4480   0.8018   3.2750   1.1300   3.6210   1.1380 -0.3459000 1.604000 
1 1 1   -1   17   17 o   18.200   0.2453   17.890   0.3493   18.520   0.3444 -0.6205000 0.4906000 
1 1 1   -1   17   18 o   2.5820   0.7480   2.7570   1.0840   2.4080   1.0320 0.3485000 1.496000 
1 1 1   -1   17   19 o   3.2230   0.7894   3.3280   1.1080   3.1170   1.1250 0.2107000 1.579000 
1 1 1   -1   17   20 o   19.440   0.2452   19.580   0.3446   19.310   0.3488 0.2672000 0.4904000 
1 1 1   -1   17   21 o   12.990   0.2937   12.650   0.4265   13.330   0.4040 -0.6766000 0.5875000 
1 1 1   -1   17   22 o   7.8880   0.5501   7.0190   0.8270   8.7570   0.7257 -1.738000 1.100000 
1 1 1   -1   17   23 o   10.160   0.4506   10.450   0.6046   9.8680   0.6684 0.5834000 0.9013000 
1 1 1   -1   17   24 o   6.5160   0.5778   6.6800   0.8724   6.3520   0.7578 0.3275000 1.156000 
1 1 1   -1   17   25 o   3.5360   0.7868   2.8930   1.1270   4.1790   1.0980 -1.286000 1.574000 
1 1 1   -1   17   26 o   2.9550   0.7881   3.4400   1.1670   2.4700   1.0600 0.9702000 1.576000 
1 1 1   -1   17   27 o   3.5480   0.9214   3.4210   1.3180   3.6740   1.2880 -0.2531000 1.843000 
1 1 1   -1   17   28 o   3.2900   0.8074   4.0910   1.1570   2.4890   1.1260 1.602000 1.615000 
1 1 1   -1   19    1 o   27.440   0.2047   27.770   0.2883   27.110   0.2908 0.6572000 0.4095000 
1 1 1   -1   19    2 o   28.260   0.2076   28.370   0.2925   28.160   0.2945 0.2086000 0.4151000 
1 1 1   -1   19    3 o   21.200   0.2047   21.260   0.2870   21.140   0.2919 0.1162000 0.4093000 
1 1 1   -1   19    4 o   5.7350   0.5310   6.0750   0.6805   5.3940   0.8153 0.6812000 1.062000 
1 1 1   -1   19    5 f   13.030   0.2755   13.370   0.4049   12.690   0.3738 0.6798000 0.5511000 
1 1 1   -1   19    6 o   5.6550   0.7179   5.9720   1.0940   5.3380   0.9299 0.6343000 1.436000 
1 1 1   -1   19    7 o   4.6800   0.8343   5.0800   1.2540   4.2810   1.1010 0.7984000 1.669000 
1 1 1   -1   19    8 o   5.0950   0.8060   5.5850   1.1070   4.6050   1.1720 0.9804000 1.612000 
1 1 1   -1   19    9 o   18.660   0.2414   18.820   0.3445   18.510   0.3381 0.3064000 0.4827000 
1 1 1   -1   19   10 o   14.220   0.2725   14.350   0.3834   14.090   0.3874 0.2614000 0.5451000 
1 1 1   -1   19   11 o   15.290   0.2467   15.020   0.3734   15.570   0.3225 -0.5440000 0.4934000 
1 1 1   -1   19   12 o   10.730   0.3152   10.410   0.4782   11.060   0.4106 -0.6417000 0.6303000 
1 1 1   -1   19   13 o   6.2050   0.5424   6.6820   0.7081   5.7280   0.8218 0.9540000 1.085000 
1 1 1   -1   19   14 f   6.6510   0.5058   6.3730   0.7319   6.9300   0.6984 -0.5579000 1.012000 
1 1 1   -1   19   15 o   14.300   0.2839   14.590   0.3860   14.020   0.4165 0.5677000 0.5679000 
1 1 1   -1   19   16 o   10.380   0.3502   10.530   0.4791   10.240   0.5110 0.2849000 0.7005000 
1 1 1   -1   19   17 o   8.3830   0.4121   8.3550   0.5707   8.4120   0.5946 -0.5711000E-01 0.8242000 
1 1 1   -1   19   18 f   14.070   0.2748   14.080   0.3865   14.060   0.3907 0.1838000E-01 0.5496000 
1 1 1   -1   19   19 o   13.740   0.2831   13.620   0.4045   13.850   0.3961 -0.2341000 0.5662000 
1 1 1   -1   19   20 o   4.5710   0.8808   4.4300   1.2290   4.7130   1.2620 -0.2836000 1.762000 
1 1 1   -1   19   21 o   4.1410   0.8956   3.5150   1.2430   4.7680   1.2890 -1.253000 1.791000 
1 1 1   -1   19   22 o   8.4800   0.4681   8.8800   0.6892   8.0800   0.6337 0.8003000 0.9362000 
1 1 1   -1   19   23 o   5.0500   0.7054   4.6080   1.0980   5.4910   0.8865 -0.8829000 1.411000 
1 1 1   -1   19   24 f   3.0500   0.8168   2.9670   1.1550   3.1330   1.1550 -0.1669000 1.634000 
1 1 1   -1   19   25 o   2.2620   0.7163   2.1110   0.9743   2.4130   1.0500 -0.3018000 1.433000 
1 1 1   -1   19   26 o   5.7170   0.8096   5.9980   1.1530   5.4360   1.1370 0.5619000 1.619000 
1 1 1   -1   19   27 o   1.8980   0.6602   1.8840   0.9326   1.9120   0.9347 -0.2841000E-01 1.320000 
1 1 1   -1   21    1 o   11.220   0.2861   11.250   0.4034   11.200   0.4058 0.4409000E-01 0.5722000 
1 1 1   -1   21    2 o   2.3680   0.6853   2.8530   1.0540   1.8820   0.8759 0.9716000 1.371000 
1 1 1   -1   21    3 o   18.070   0.2187   18.320   0.3045   17.820   0.3140 0.4993000 0.4374000 
1 1 1   -1   21    4 o   18.200   0.2164   18.320   0.3025   18.070   0.3095 0.2497000 0.4328000 
1 1 1   -1   21    5 o   7.2150   0.4581   6.8300   0.7176   7.5990   0.5697 -0.7695000 0.9163000 
1 1 1   -1   21    6 o   12.970   0.2794   12.790   0.4227   13.150   0.3654 -0.3606000 0.5588000 
1 1 1   -1   21    7 o   12.890   0.2802   13.090   0.4198   12.690   0.3714 0.3905000 0.5605000 
1 1 1   -1   21    8 o   12.770   0.2828   12.840   0.4259   12.700   0.3721 0.1418000 0.5656000 
1 1 1   -1   21    9 o   5.1870   0.6126   4.8900   0.9691   5.4850   0.7497 -0.5950000 1.225000 
1 1 1   -1   21   10 o   2.3300   0.7039   2.4740   1.0380   2.1860   0.9508 0.2878000 1.408000 
1 1 1   -1   21   11 o   6.5110   0.4722   6.6600   0.6890   6.3620   0.6458 0.2986000 0.9444000 
1 1 1   -1   21   12 o   5.0270   0.6269   6.2790   0.7378   3.7740   1.0140 2.505000 1.254000 
1 1 1   -1   21   13 o   14.300   0.2585   14.510   0.3815   14.100   0.3488 0.4179000 0.5169000 
1 1 1   -1   21   14 o   11.000   0.3021   11.040   0.4517   10.960   0.4014 0.8302000E-01 0.6043000 
1 1 1   -1   21   15 o   15.660   0.2682   15.920   0.3754   15.410   0.3833 0.5180000 0.5365000 
1 1 1   -1   21   16 o   6.3000   0.5466   5.9310   0.7962   6.6690   0.7490 -0.7383000 1.093000 
1 1 1   -1   21   17 o   7.9350   0.4536   8.6040   0.5613   7.2660   0.7127 1.338000 0.9072000 
1 1 1   -1   21   18 o   12.460   0.4036   12.050   0.5356   12.870   0.6039 -0.8215000 0.8072000 
1 1 1   -1   21   19 f   2.0620   0.6818   2.2740   1.0350   1.8500   0.8878 0.4244000 1.364000 
1 1 1   -1   21   20 o   3.0380   0.8293   2.8340   1.1830   3.2410   1.1630 -0.4062000 1.659000 
1 1 1   -1   21   21 o   5.6280   0.6396   5.8300   0.8595   5.4260   0.9475 0.4038000 1.279000 
1 1 1   -1   21   22 o   2.4050   0.7157   3.1050   1.1620   1.7060   0.8353 1.398000 1.431000 
1 1 1   -1   21   23 o   2.1780   0.6948   1.7170   0.8395   2.6380   1.1070 -0.9217000 1.390000 
1 1 1   -1   21   24 o   3.2100   0.9064   3.6220   1.3580   2.7990   1.2010 0.8232000 1.813000 
1 1 1   -1   21   25 o   3.7030   0.8168   4.5800   1.1150   2.8270   1.1940 1.754000 1.634000 
1 1 1   -1   23    1 o   6.2780   0.4760   6.9600   0.5859   5.5970   0.7503 1.363000 0.9519000 
1 1 1   -1   23    2 o   6.0680   0.4883   6.4790   0.6441   5.6570   0.7341 0.8213000 0.9766000 
1 1 1   -1   23    3 f   10.890   0.3115   10.330   0.4336   11.450   0.4473 -1.121000 0.6230000 
1 1 1   -1   23    4 o   12.810   0.2609   13.050   0.3650   12.570   0.3728 0.4780000 0.5218000 
1 1 1   -1   23    5 o   10.080   0.3319   10.160   0.4988   10.010   0.4380 0.1543000 0.6638000 
1 1 1   -1   23    6 o   13.920   0.2715   13.920   0.4142   13.910   0.3510 0.1593000E-01 0.5429000 
1 1 1   -1   23    7 o   2.9700   0.7176   4.0860   1.1460   1.8530   0.8641 2.233000 1.435000 
1 1 1   -1   23    8 o   6.2240   0.5148   6.1730   0.7928   6.2740   0.6570 -0.1003000 1.030000 
1 1 1   -1   23    9 o   12.370   0.2847   12.330   0.4276   12.410   0.3758 -0.7989000E-01 0.5693000 
1 1 1   -1   23   10 o   5.9190   0.5283   5.5470   0.8357   6.2910   0.6466 -0.7448000 1.057000 
1 1 1   -1   23   11 o   2.7780   0.7393   3.2230   1.1080   2.3330   0.9786 0.8901000 1.479000 
1 1 1   -1   23   12 o   4.8440   0.6299   5.6170   0.8138   4.0720   0.9618 1.545000 1.260000 
1 1 1   -1   23   13 o   4.5220   0.6655   4.6410   0.9607   4.4040   0.9214 0.2366000 1.331000 
1 1 1   -1   23   14 o   4.0960   0.7208   3.4140   1.1270   4.7780   0.8993 -1.364000 1.442000 
1 1 1   -1   23   15 o   8.7140   0.4549   8.3080   0.7015   9.1200   0.5792 -0.8120000 0.9098000 
1 1 1   -1   23   16 o   3.5990   0.8065   2.8360   1.1870   4.3630   1.0920 -1.527000 1.613000 
1 1 1   -1   23   17 o   6.0290   0.6475   6.1070   0.9441   5.9500   0.8864 0.1577000 1.295000 
1 1 1   -1   23   18 o   2.5100   0.7561   2.5600   1.0690   2.4610   1.0700 0.9879000E-01 1.512000 
1 1 1   -1   23   19 o   3.1000   0.7542   4.0710   1.1410   2.1300   0.9865 1.940000 1.508000 
1 1 1   -1   23   20 f   3.0100   0.8112   3.2880   1.1660   2.7320   1.1280 0.5560000 1.622000 
1 1 1   -1   23   21 o   3.1400   0.8943   3.2230   1.2950   3.0560   1.2330 0.1673000 1.789000 
1 1 1   -1   23   22 o   5.8870   0.8035   5.0010   1.2810   6.7740   0.9698 -1.773000 1.607000 
1 1 1   -1   23   23 o   2.7130   0.8285   2.5680   1.1030   2.8570   1.2370 -0.2891000 1.657000 
1 1 1   -1   25    1 o   2.0990   0.6415   1.6240   0.7844   2.5740   1.0150 -0.9504000 1.283000 
1 1 1   -1   25    2 o   4.1870   0.6785   4.5710   0.8935   3.8030   1.0210 0.7686000 1.357000 
1 1 1   -1   25    3 o   13.030   0.2572   12.800   0.3661   13.250   0.3613 -0.4450000 0.5144000 
1 1 1   -1   25    4 o   5.4580   0.5453   5.9110   0.7007   5.0050   0.8358 0.9063000 1.091000 
1 1 1   -1   25    5 o   12.270   0.2952   12.050   0.4502   12.490   0.3820 -0.4437000 0.5904000 
1 1 1   -1   25    6 o   6.9520   0.4740   7.9320   0.6314   5.9720   0.7072 1.960000 0.9480000 
1 1 1   -1   25    7 o   11.890   0.3031   11.520   0.4722   12.260   0.3803 -0.7444000 0.6063000 
1 1 1   -1   25    8 o   7.3830   0.4469   7.4870   0.6796   7.2780   0.5806 0.2087000 0.8938000 
1 1 1   -1   25    9 o   6.3230   0.4928   6.7000   0.7064   5.9470   0.6875 0.7531000 0.9857000 
1 1 1   -1   25   10 o   2.5290   0.7571   2.1420   1.0020   2.9150   1.1350 -0.7733000 1.514000 
1 1 1   -1   25   11 o   4.8480   0.7724   4.9080   1.1490   4.7890   1.0320 0.1183000 1.545000 
1 1 1   -1   25   12 o   3.0820   0.8228   2.5700   1.1920   3.5940   1.1340 -1.024000 1.646000 
1 1 1   -1   25   13 f   2.8880   0.7905   3.5350   1.2240   2.2410   1.0010 1.293000 1.581000 
1 1 1   -1   25   14 o   3.0410   0.7737   2.8590   1.1080   3.2230   1.0800 -0.3631000 1.547000 
1 1 1   -1   25   15 o   4.4080   0.7150   3.7480   1.1300   5.0680   0.8764 -1.320000 1.430000 
1 1 1   -1   25   16 o   3.0330   0.6832   4.2630   1.0650   1.8030   0.8564 2.460000 1.366000 
1 1 1   -1   25   17 o   6.0210   0.5621   6.3680   0.7787   5.6750   0.8108 0.6926000 1.124000 
1 1 1   -1   25   18 o   2.8530   0.8279   2.5100   1.1390   3.1970   1.2020 -0.6864000 1.656000 
1 1 1   -1   25   19 o   3.6500   0.9464   3.6240   1.3410   3.6760   1.3360 -0.5268000E-01 1.893000 
1 1 1   -1   25   20 o   3.5300   0.8570   3.8520   1.1860   3.2080   1.2370 0.6434000 1.714000 
1 1 1   -1   27    1 o   3.4660   0.8674   3.9770   1.2300   2.9550   1.2240 1.022000 1.735000 
1 1 1   -1   27    2 f   5.0330   0.8277   4.5020   1.2060   5.5650   1.1340 -1.063000 1.655000 
1 1 1   -1   27    3 o   2.4730   0.7856   2.2620   1.0410   2.6840   1.1770 -0.4224000 1.571000 
1 1 1   -1   27    4 o   3.2930   0.8833   3.3240   1.2220   3.2620   1.2760 0.6141000E-01 1.767000 
1 1 1   -1   27    5 o   5.6950   0.8585   4.3780   1.4680   7.0120   0.8904 -2.634000 1.717000 
1 1 1   -1   27    6 o   7.5530   0.5274   7.2920   0.8371   7.8150   0.6418 -0.5233000 1.055000 
1 1 1   -1   27    7 o   7.9720   0.4902   8.0630   0.7563   7.8810   0.6240 0.1824000 0.9805000 
1 1 1   -1   27    8 o   5.7330   0.5883   5.4900   0.9341   5.9750   0.7153 -0.4848000 1.177000 
1 1 1   -1   27    9 f   2.4330   0.6654   1.6150   0.7972   3.2500   1.0660 -1.636000 1.331000 
1 1 1   -1   27   10 o   5.5310   0.5908   5.4810   0.8850   5.5800   0.7829 -0.9925000E-01 1.182000 
1 1 1   -1   27   11 o   7.2120   0.4621   7.4210   0.6689   7.0030   0.6377 0.4187000 0.9241000 
1 1 1   -1   27   12 o   5.7700   0.6041   4.8970   1.0080   6.6430   0.6664 -1.746000 1.208000 
1 1 1   -1   27   13 o   6.7270   0.5108   6.2950   0.8023   7.1600   0.6324 -0.8648000 1.022000 
1 1 1   -1   27   14 o   3.0930   0.7869   3.0140   1.1320   3.1720   1.0930 -0.1577000 1.574000 
1 1 1   -1   27   15 o   3.3310   0.8664   3.1060   1.2510   3.5550   1.1990 -0.4488000 1.733000 
1 1 1   -1   27   16 o   2.5160   0.7741   3.1840   1.2660   1.8480   0.8912 1.336000 1.548000 
1 1 1   -1   27   17 o   3.2610   0.7995   3.8830   1.1570   2.6390   1.1030 1.243000 1.599000 
1 1 1   -1   29    1 o   3.3860   0.7480   4.0240   1.0500   2.7490   1.0650 1.275000 1.496000 
1 1 1   -1   29    2 o   2.4600   0.7266   2.5700   1.0530   2.3500   1.0010 0.2208000 1.453000 
1 1 1   -1   29    3 o   2.3130   0.6822   1.7490   0.8398   2.8780   1.0750 -1.129000 1.364000 
1 1 1   -1   29    4 o   2.5070   0.7241   2.2360   0.9796   2.7780   1.0670 -0.5420000 1.448000 
1 1 1   -1   29    5 o   2.3430   0.7126   2.0960   0.9707   2.5890   1.0440 -0.4935000 1.425000 
1 1 1   -1   29    6 o   2.9950   0.7674   2.5190   1.0880   3.4710   1.0830 -0.9520000 1.535000 
1 1 1   -1   29    7 o   2.4230   0.7251   2.1590   0.9971   2.6860   1.0530 -0.5276000 1.450000 
1 1 1   -1   29    8 o   4.6460   0.7436   4.5720   1.1440   4.7210   0.9502 -0.1483000 1.487000 
1 1 1   -1   29    9 o   3.4880   0.8553   2.9600   1.2490   4.0160   1.1690 -1.056000 1.711000 
1 1 1   -1   29   10 f   2.1270   0.7054   2.1000   1.0070   2.1530   0.9886 -0.5211000E-01 1.411000 
1 1 1   -1   29   11 f   1.9260   0.6604   1.9810   0.9658   1.8710   0.9009 0.1101000 1.321000 
1 1 1   -1   29   12 o   2.5870   0.7641   2.2790   1.0210   2.8950   1.1370 -0.6157000 1.528000 
1 1 1   -1   29   13 o   2.0130   0.6676   1.8480   0.8890   2.1770   0.9961 -0.3284000 1.335000 
1 1 1   -1   31    1 o   2.4940   0.8040   2.6270   1.1830   2.3620   1.0890 0.2646000 1.608000 
1 1 1   -1   31    2 o   2.7080   0.8411   2.8810   1.2420   2.5360   1.1340 0.3449000 1.682000 
1 1 1   -1   31    3 o   5.2320   0.7457   5.4310   1.0460   5.0320   1.0630 0.3994000 1.491000 
1 1 1   -1   31    4 o   3.9050   0.7566   2.6460   1.1090   5.1640   1.0290 -2.518000 1.513000 
1 1 1   -1   31    5 o   1.9380   0.6531   2.0020   0.9448   1.8750   0.9021 0.1276000 1.306000 
1 1 1    0    0    2 o   30.450   0.2172   30.450   0.2172   30.450   0.2172 0.000000 0.000000 
1 1 1    0    0    3 o   27.450   0.1994   27.450   0.1994   27.450   0.1994 0.000000 0.000000 
1 1 1    0    0    4 o   21.780   0.2357   21.780   0.2357   21.780   0.2357 0.000000 0.000000 
1 1 1    0    0    5 o   13.660   0.1577   13.660   0.1577   13.660   0.1577 0.000000 0.000000 
1 1 1    0    0    6 o   69.800   0.4935   69.800   0.4935   69.800   0.4935 0.000000 0.000000 
1 1 1    0    0    7 o  108.900   0.7656  108.900   0.7656  108.900   0.7656 0.000000 0.000000 
1 1 1    0    0    8 o   40.510   0.2971   40.510   0.2971   40.510   0.2971 0.000000 0.000000 
1 1 1    0    0    9 o   35.710   0.3800   35.710   0.3800   35.710   0.3800 0.000000 0.000000 
1 1 1    0    0   10 o   10.450   0.2069   10.450   0.2069   10.450   0.2069 0.000000 0.000000 
1 1 1    0    0   11 o   6.2570   0.3272   6.2570   0.3272   6.2570   0.3272 0.000000 0.000000 
1 1 1    0    0   12 o   7.3910   0.3014   7.3910   0.3014   7.3910   0.3014 0.000000 0.000000 
1 1 1    0    0   13 o   21.030   0.2140   21.030   0.2140   21.030   0.2140 0.000000 0.000000 
1 1 1    0    0   14 o   27.460   0.2392   27.460   0.2392   27.460   0.2392 0.000000 0.000000 
1 1 1    0    0   15 f   66.190   0.4783   66.190   0.4783   66.190   0.4783 0.000000 0.000000 
1 1 1    0    0   16 o   47.720   0.3620   47.720   0.3620   47.720   0.3620 0.000000 0.000000 
1 1 1    0    0   17 o   9.1460   0.6192   9.1460   0.6192   9.1460   0.6192 0.000000 0.000000 
1 1 1    0    0   18 o   8.6810   0.4751   8.6810   0.4751   8.6810   0.4751 0.000000 0.000000 
1 1 1    0    0   19 o   3.7270   1.2940   3.7270   1.2940   3.7270   1.2940 0.000000 0.000000 
1 1 1    0    0   20 o   7.2670   0.6142   7.2670   0.6142   7.2670   0.6142 0.000000 0.000000 
1 1 1    0    0   21 o   9.1070   0.4653   9.1070   0.4653   9.1070   0.4653 0.000000 0.000000 
1 1 1    0    0   22 o   6.2860   0.9643   6.2860   0.9643   6.2860   0.9643 0.000000 0.000000 
1 1 1    0    0   23 o   12.180   0.3632   12.180   0.3632   12.180   0.3632 0.000000 0.000000 
1 1 1    0    0   24 o   8.0810   0.5074   8.0810   0.5074   8.0810   0.5074 0.000000 0.000000 
1 1 1    0    0   25 o   1.9190   1.1380   1.9190   1.1380   1.9190   1.1380 0.000000 0.000000 
1 1 1    0    0   26 o   14.370   0.4584   14.370   0.4584   14.370   0.4584 0.000000 0.000000 
1 1 1    0    0   27 f   4.4120   1.1520   4.4120   1.1520   4.4120   1.1520 0.000000 0.000000 
1 1 1    0    0   28 o   1.2660   0.8884   1.2660   0.8884   1.2660   0.8884 0.000000 0.000000 
1 1 1    0    0   29 o   1.5320   1.0550   1.5320   1.0550   1.5320   1.0550 0.000000 0.000000 
1 1 1    0    0   30 o   6.9130   0.7203   6.9130   0.7203   6.9130   0.7203 0.000000 0.000000 
1 1 1    0    0   31 o   1.1830   0.8492   1.1830   0.8492   1.1830   0.8492 0.000000 0.000000 
1 1 1    0    0   32 o   3.1020   1.4240   3.1020   1.4240   3.1020   1.4240 0.000000 0.000000 
1 1 1    0    0   33 o   2.1220   1.4350   2.1220   1.4350   2.1220   1.4350 0.000000 0.000000 
1 1 1    0    2    0 o   86.600   0.6096   86.320   0.8592   86.890   0.8649 -0.5674000 1.219000 
1 1 1    0    2    1 o   22.710   0.1376   22.510   0.1934   22.910   0.1959 -0.3964000 0.2753000 
1 1 1    0    2    2 o   64.870   0.3734   65.030   0.5293   64.710   0.5267 0.3235000 0.7467000 
1 1 1    0    2    3 o   20.710   0.2284  ?   ?    20.710   0.2284      ?      ? 
1 1 1    0    2    4 o   52.110   0.4550   52.300   0.7448   51.920   0.5228 0.3833000 0.9099000 
1 1 1    0    2    5 o   57.020   0.3310   56.910   0.4673   57.120   0.4689 -0.2045000 0.6620000 
1 1 1    0    2    6 o   29.040   0.2012   28.720   0.3088   29.360   0.2582 -0.6428000 0.4025000 
1 1 1    0    2    7 o   47.170   0.2784   47.410   0.3958   46.940   0.3917 0.4643000 0.5569000 
1 1 1    0    2    8 o   19.730   0.1789   19.730   0.2528   19.720   0.2532 0.8741000E-02 0.3578000 
1 1 1    0    2    9 o   21.610   0.2371   21.740   0.2782   21.470   0.3840 0.2763000 0.4742000 
1 1 1    0    2   10 o   56.970   0.3138   57.020   0.4111   56.920   0.4742 0.1042000 0.6276000 
1 1 1    0    2   11 o   35.290   0.2082   35.150   0.2715   35.430   0.3156 -0.2749000 0.4163000 
1 1 1    0    2   12 o   20.060   0.1577   20.040   0.2066   20.070   0.2382 -0.2717000E-01 0.3153000 
1 1 1    0    2   13 o   21.670   0.1649   21.500   0.2161   21.850   0.2493 -0.3489000 0.3299000 
1 1 1    0    2   14 o   31.630   0.1990   31.690   0.2613   31.580   0.3001 0.1148000 0.3979000 
1 1 1    0    2   15 o   22.530   0.1775   22.530   0.2329   22.540   0.2678 -0.8884000E-02 0.3549000 
1 1 1    0    2   16 o   42.440   0.2533   42.770   0.3334   42.110   0.3815 0.6562000 0.5067000 
1 1 1    0    2   17 o   66.560   0.4860   66.100   0.6821   67.030   0.6924 -0.9342000 0.9719000 
1 1 1    0    2   18 o   24.260   0.2049   24.140   0.2681   24.380   0.3100 -0.2329000 0.4099000 
1 1 1    0    2   19 o   8.0090   0.4391   7.9740   0.5669   8.0450   0.6707 -0.7061000E-01 0.8782000 
1 1 1    0    2   20 o   12.720   0.2874   13.030   0.3629   12.420   0.4457 0.6100000 0.5747000 
1 1 1    0    2   21 o   34.100   0.2301   34.310   0.3026   33.890   0.3468 0.4167000 0.4602000 
1 1 1    0    2   22 o   19.430   0.3465   19.040   0.4108   19.810   0.5580 -0.7744000 0.6929000 
1 1 1    0    2   23 o   11.810   0.2779   11.870   0.3599   11.750   0.4236 0.1195000 0.5558000 
1 1 1    0    2   24 o   1.8600   0.6143   1.5110   0.7375   2.2090   0.9827 -0.6983000 1.229000 
1 1 1    0    2   25 o   20.210   0.2181   20.100   0.2837   20.310   0.3312 -0.2053000 0.4361000 
1 1 1    0    2   26 o   8.0830   0.3884   8.0130   0.5148   8.1540   0.5816 -0.1413000 0.7767000 
1 1 1    0    2   27 o   11.420   0.2931   11.460   0.3853   11.380   0.4419 0.8168000E-01 0.5863000 
1 1 1    0    2   28 o   4.1140   0.7177   4.0730   0.9711   4.1550   1.0570 -0.8212000E-01 1.435000 
1 1 1    0    2   29 o   2.8490   0.8296   3.0410   1.2000   2.6560   1.1460 0.3855000 1.659000 
1 1 1    0    2   30 o   2.2670   0.7071   1.9800   0.9130   2.5540   1.0800 -0.5741000 1.414000 
1 1 1    0    2   31 o   2.1850   0.6952   2.3190   1.0060   2.0510   0.9594 0.2675000 1.390000 
1 1 1    0    2   32 o   2.1990   0.6942   2.3730   1.0140   2.0260   0.9484 0.3477000 1.388000 
1 1 1    0    2   33 o   2.8440   0.9007   2.9200   1.2640   2.7690   1.2830 0.1512000 1.801000 
1 1 1    0    4    0 o   60.260   0.6065   59.570   0.8479   60.940   0.8675 -1.366000 1.213000 
1 1 1    0    4    1 o   45.840   0.3289   45.530   0.4621   46.150   0.4682 -0.6127000 0.6579000 
1 1 1    0    4    2 o   20.160   0.2034   19.560   0.3266   20.770   0.2424 -1.212000 0.4068000 
1 1 1    0    4    3 o   44.950   0.2646   44.820   0.3731   45.080   0.3752 -0.2609000 0.5292000 
1 1 1    0    4    4 o   87.390   0.5038   87.260   0.7114   87.530   0.7137 -0.2691000 1.008000 
1 1 1    0    4    5 o   56.890   0.3319   56.820   0.4690   56.950   0.4698 -0.1255000 0.6639000 
1 1 1    0    4    6 o   40.790   0.2447   40.730   0.3455   40.840   0.3465 -0.1041000 0.4893000 
1 1 1    0    4    7 o  118.200   0.6802  118.200   0.9621  118.100   0.9617 0.7465000E-01 1.360000 
1 1 1    0    4    8 o   44.140   0.3969   44.320   0.4620   43.960   0.6454 0.3579000 0.7937000 
1 1 1    0    4    9 o   31.510   0.2029   31.840   0.2895   31.180   0.2845 0.6521000 0.4059000 
1 1 1    0    4   10 o   53.000   0.3154   53.020   0.4462   52.970   0.4459 0.4130000E-01 0.6308000 
1 1 1    0    4   11 o   14.430   0.1708   14.410   0.2428   14.440   0.2402 -0.2932000E-01 0.3415000 
1 1 1    0    4   12 o   7.4010   0.2741   7.6330   0.3800   7.1690   0.3952 0.4640000 0.5482000 
1 1 1    0    4   13 o   34.110   0.2233   33.790   0.3139   34.420   0.3178 -0.6235000 0.4467000 
1 1 1    0    4   14 o   16.090   0.1872   16.080   0.2653   16.100   0.2643 -0.2330000E-01 0.3745000 
1 1 1    0    4   15 f   16.550   0.1924   16.560   0.2519   16.540   0.2910 0.2091000E-01 0.3849000 
1 1 1    0    4   16 o   44.590   0.2641   45.000   0.3484   44.180   0.3971 0.8172000 0.5283000 
1 1 1    0    4   17 o   2.9080   0.7910   3.5480   1.1950   2.2690   1.0360 1.278000 1.582000 
1 1 1    0    4   18 o   25.690   0.2112   26.060   0.2760   25.320   0.3197 0.7398000 0.4224000 
1 1 1    0    4   19 o   38.780   0.2497   38.800   0.3260   38.760   0.3784 0.4061000E-01 0.4994000 
1 1 1    0    4   20 o   29.420   0.2205   29.280   0.2879   29.560   0.3340 -0.2871000 0.4409000 
1 1 1    0    4   21 o   15.930   0.2819   15.630   0.3678   16.230   0.4272 -0.5921000 0.5638000 
1 1 1    0    4   22 o   16.680   0.2793   16.780   0.3526   16.580   0.4333 0.2021000 0.5586000 
1 1 1    0    4   23 o   2.1400   0.6640   1.6390   0.7860   2.6400   1.0700 -1.002000 1.328000 
1 1 1    0    4   24 o   15.950   0.2326   15.990   0.3066   15.920   0.3499 0.7537000E-01 0.4652000 
1 1 1    0    4   25 o   11.020   0.2954   10.700   0.3973   11.330   0.4371 -0.6228000 0.5907000 
1 1 1    0    4   26 o   7.4240   0.4336   8.4500   0.4780   6.3970   0.7234 2.053000 0.8671000 
1 1 1    0    4   27 o   4.3950   0.6775   4.4410   0.8830   4.3490   1.0280 0.9225000E-01 1.355000 
1 1 1    0    4   28 o   3.2810   0.7564   3.4180   1.0210   3.1450   1.1160 0.2726000 1.513000 
1 1 1    0    4   29 o   5.8450   0.7410   7.1520   0.8157   4.5380   1.2370 2.614000 1.482000 
1 1 1    0    4   30 o   9.6020   0.3690   9.5050   0.4996   9.6990   0.5432 -0.1935000 0.7380000 
1 1 1    0    4   31 o   9.6320   0.3719   9.6140   0.4931   9.6500   0.5569 -0.3568000E-01 0.7438000 
1 1 1    0    4   32 o   2.0930   0.6792   1.8790   0.8861   2.3070   1.0300 -0.4284000 1.358000 
1 1 1    0    4   33 o   3.8240   0.9987   2.6990   1.2120   4.9500   1.5880 -2.251000 1.997000 
1 1 1    0    6    0 o   74.350   0.5275   74.050   0.7433   74.640   0.7487 -0.5868000 1.055000 
1 1 1    0    6    1 o   65.250   0.3286   64.860   0.4621   65.630   0.4673 -0.7669000 0.6572000 
1 1 1    0    6    2 o   74.440   0.3732   74.550   0.5285   74.330   0.5270 0.2275000 0.7464000 
1 1 1    0    6    3 o   60.990   0.3560   61.000   0.5036   60.980   0.5033 0.1997000E-01 0.7120000 
1 1 1    0    6    4 o   43.850   0.2624   43.950   0.3720   43.740   0.3703 0.2077000 0.5249000 
1 1 1    0    6    5 o   68.880   0.4009   68.660   0.5651   69.110   0.5689 -0.4507000 0.8019000 
1 1 1    0    6    6 o   70.280   0.6164   69.910   0.7066   70.650   1.0100 -0.7420000 1.233000 
1 1 1    0    6    7 o   36.460   0.3396   36.300   0.3933   36.610   0.5538 -0.3176000 0.6792000 
1 1 1    0    6    8 o   13.850   0.1677   13.810   0.2382   13.890   0.2360 -0.8499000E-01 0.3353000 
1 1 1    0    6    9 o   17.370   0.1675   17.200   0.2385   17.540   0.2352 -0.3417000 0.3349000 
1 1 1    0    6   10 o   7.3920   0.2639   7.4980   0.3708   7.2860   0.3756 0.2118000 0.5278000 
1 1 1    0    6   11 o   27.690   0.1966   27.900   0.2797   27.490   0.2763 0.4158000 0.3932000 
1 1 1    0    6   12 o   8.5080   0.2628   8.3880   0.3846   8.6290   0.3583 -0.2410000 0.5256000 
1 1 1    0    6   13 o   38.940   0.2488   38.760   0.3513   39.130   0.3523 -0.3649000 0.4976000 
1 1 1    0    6   14 o   43.490   0.2736   43.390   0.3865   43.590   0.3875 -0.1967000 0.5473000 
1 1 1    0    6   15 o   23.560   0.2110   23.440   0.2985   23.680   0.2983 -0.2337000 0.4220000 
1 1 1    0    6   16 o   28.770   0.3304   28.790   0.5358   28.750   0.3867 0.3959000E-01 0.6607000 
1 1 1    0    6   17 o   4.7640   0.6836   4.8090   0.9600   4.7190   0.9736 0.9092000E-01 1.367000 
1 1 1    0    6   18 o   38.650   0.2659   38.620   0.3763   38.690   0.3759 -0.7089000E-01 0.5319000 
1 1 1    0    6   19 o   47.750   0.3063   47.820   0.4354   47.670   0.4308 0.1519000 0.6125000 
1 1 1    0    6   20 o   8.0990   0.3999   8.3610   0.5104   7.8370   0.6157 0.5247000 0.7998000 
1 1 1    0    6   21 o   29.220   0.3513   29.340   0.4183   29.100   0.5646 0.2388000 0.7026000 
1 1 1    0    6   22 o   15.360   0.2383   14.920   0.3159   15.800   0.3568 -0.8767000 0.4765000 
1 1 1    0    6   23 o   2.2610   0.6821   1.7390   0.8205   2.7830   1.0900 -1.045000 1.364000 
1 1 1    0    6   24 o   14.140   0.2482   14.420   0.3190   13.860   0.3805 0.5590000 0.4965000 
1 1 1    0    6   25 o   2.9170   0.6159   4.1810   0.9316   1.6520   0.8058 2.530000 1.232000 
1 1 1    0    6   26 f   3.3990   0.7480   3.7410   1.0050   3.0560   1.1090 0.6852000 1.496000 
1 1 1    0    6   27 o   13.760   0.2551   13.780   0.3344   13.740   0.3854 0.3388000E-01 0.5103000 
1 1 1    0    6   28 o   6.5410   0.6084   7.3890   0.6317   5.6930   1.0400 1.695000 1.217000 
1 1 1    0    6   29 o   7.8620   0.4525   7.4300   0.6735   8.2950   0.6046 -0.8653000 0.9051000 
1 1 1    0    6   30 o   3.5250   0.7959   3.0960   1.1000   3.9550   1.1510 -0.8595000 1.592000 
1 1 1    0    6   31 o   2.8290   0.7850   2.7510   1.0820   2.9070   1.1370 -0.1558000 1.570000 
1 1 1    0    6   32 o   4.9360   0.7605   6.5940   0.8741   3.2780   1.2450 3.316000 1.521000 
1 1 1    0    6   33 o   3.7750   0.8971   3.7650   1.2160   3.7850   1.3190 -0.2015000E-01 1.794000 
1 1 1    0    8    0 o   70.710   0.6210   70.870   1.0150   70.550   0.7151 0.3230000 1.242000 
1 1 1    0    8    1 o   33.600   0.2607   33.320   0.3670   33.880   0.3704 -0.5622000 0.5214000 
1 1 1    0    8    2 o   63.650   0.4573   63.140   0.6417   64.170   0.6515 -1.028000 0.9145000 
1 1 1    0    8    3 f   44.210   0.3279   44.270   0.4645   44.150   0.4630 0.1264000 0.6559000 
1 1 1    0    8    4 o   49.230   0.3627   48.550   0.5050   49.910   0.5206 -1.361000 0.7253000 
1 1 1    0    8    5 o   18.140   0.1641   18.080   0.2298   18.190   0.2344 -0.1126000 0.3283000 
1 1 1    0    8    6 o   27.740   0.1913   27.860   0.2709   27.610   0.2701 0.2550000 0.3825000 
1 1 1    0    8    7 o   8.1920   0.2405   8.2650   0.3385   8.1190   0.3417 0.1457000 0.4810000 
1 1 1    0    8    8 o   4.3100   0.4565   4.4280   0.6152   4.1920   0.6746 0.2358000 0.9130000 
1 1 1    0    8    9 o   37.460   0.2392   37.600   0.3391   37.330   0.3375 0.2735000 0.4785000 
1 1 1    0    8   10 o   19.340   0.1829   19.380   0.2586   19.300   0.2587 0.7581000E-01 0.3658000 
1 1 1    0    8   11 o   10.800   0.2335   10.810   0.3333   10.780   0.3273 0.3113000E-01 0.4671000 
1 1 1    0    8   12 o   37.070   0.2431   37.060   0.3451   37.090   0.3424 -0.2609000E-01 0.4862000 
1 1 1    0    8   13 o   27.140   0.2095   27.360   0.3001   26.920   0.2925 0.4375000 0.4190000 
1 1 1    0    8   14 o   48.410   0.3018   48.620   0.4288   48.210   0.4249 0.4104000 0.6036000 
1 1 1    0    8   15 o   30.350   0.3375   31.140   0.5502   29.560   0.3910 1.571000 0.6750000 
1 1 1    0    8   16 o   41.640   0.2746   41.090   0.3866   42.180   0.3900 -1.093000 0.5492000 
1 1 1    0    8   17 o   18.690   0.2475   18.840   0.3529   18.530   0.3472 0.3035000 0.4951000 
1 1 1    0    8   18 o   22.730   0.2344   22.490   0.3339   22.960   0.3291 -0.4694000 0.4689000 
1 1 1    0    8   19 o   9.2690   0.3790   9.5470   0.5302   8.9910   0.5417 0.5562000 0.7580000 
1 1 1    0    8   20 o   7.3010   0.6782   7.6220   0.8032   6.9810   1.0930 0.6407000 1.356000 
1 1 1    0    8   21 o   5.5970   0.5898   5.7940   0.8002   5.4000   0.8667 0.3942000 1.180000 
1 1 1    0    8   22 o   4.8310   0.6798   4.9790   0.9300   4.6830   0.9917 0.2953000 1.360000 
1 1 1    0    8   23 o   11.160   0.3131   10.870   0.4518   11.460   0.4338 -0.5936000 0.6263000 
1 1 1    0    8   24 o   3.6430   0.7501   3.1310   1.0520   4.1550   1.0700 -1.024000 1.500000 
1 1 1    0    8   25 o   7.3340   0.4204   7.4980   0.5379   7.1700   0.6462 0.3277000 0.8407000 
1 1 1    0    8   26 o   2.0120   0.6463   1.6250   0.7827   2.3980   1.0290 -0.7724000 1.293000 
1 1 1    0    8   27 o   6.0730   0.4951   5.9840   0.6528   6.1620   0.7445 -0.1779000 0.9902000 
1 1 1    0    8   28 o   6.1410   0.7080   6.9220   0.8247   5.3600   1.1510 1.563000 1.416000 
1 1 1    0    8   29 f   2.8430   0.7362   3.4680   1.0840   2.2170   0.9966 1.251000 1.472000 
1 1 1    0    8   30 o   3.5100   0.7995   3.2440   1.1000   3.7760   1.1610 -0.5320000 1.599000 
1 1 1    0    8   31 o   2.7710   0.7796   2.5900   1.0560   2.9530   1.1470 -0.3628000 1.559000 
1 1 1    0    8   32 o   2.5920   0.8471   2.2630   1.0740   2.9210   1.3110 -0.6583000 1.694000 
1 1 1    0   10    0 o   40.760   0.3109   41.070   0.4424   40.440   0.4370 0.6264000 0.6218000 
1 1 1    0   10    1 o   29.160   0.2147   28.840   0.2428   29.490   0.3542 -0.6558000 0.4295000 
1 1 1    0   10    2 o   22.090   0.1664   22.450   0.2525   21.730   0.2169 0.7175000 0.3329000 
1 1 1    0   10    3 o   29.110   0.1745   28.950   0.2455   29.260   0.2481 -0.3106000 0.3490000 
1 1 1    0   10    4 o   11.290   0.1943   11.020   0.2980   11.560   0.2493 -0.5482000 0.3885000 
1 1 1    0   10    5 o   23.420   0.1725   23.370   0.2603   23.460   0.2266 -0.9344000E-01 0.3451000 
1 1 1    0   10    6 o   10.950   0.2216   10.580   0.3180   11.320   0.3089 -0.7408000 0.4433000 
1 1 1    0   10    7 o   10.670   0.2279   10.530   0.3212   10.820   0.3233 -0.2938000 0.4557000 
1 1 1    0   10    8 o   3.9460   0.5681   3.6880   0.8513   4.2030   0.7525 -0.5155000 1.136000 
1 1 1    0   10    9 o   23.860   0.1942   23.990   0.2731   23.740   0.2763 0.2468000 0.3885000 
1 1 1    0   10   10 o   22.990   0.1966   23.140   0.2756   22.840   0.2805 0.2930000 0.3933000 
1 1 1    0   10   11 o   4.8930   0.5154   4.6620   0.7619   5.1230   0.6944 -0.4607000 1.031000 
1 1 1    0   10   12 o   19.820   0.2077   19.770   0.2927   19.860   0.2947 -0.9785000E-01 0.4153000 
1 1 1    0   10   13 o   41.000   0.3300   41.040   0.4673   40.970   0.4661 0.6926000E-01 0.6600000 
1 1 1    0   10   14 o   41.430   0.4040   41.080   0.6539   41.770   0.4747 -0.6883000 0.8080000 
1 1 1    0   10   15 o   32.080   0.2402   32.120   0.3435   32.050   0.3357 0.7280000E-01 0.4803000 
1 1 1    0   10   16 o   24.350   0.2348   24.270   0.3404   24.420   0.3236 -0.1518000 0.4697000 
1 1 1    0   10   17 o   6.0040   0.6043   6.0380   0.8840   5.9700   0.8242 0.6806000E-01 1.209000 
1 1 1    0   10   18 o   16.900   0.2548   16.990   0.3648   16.820   0.3559 0.1625000 0.5096000 
1 1 1    0   10   19 o   7.1410   0.7142   7.7860   0.7998   6.4960   1.1840 1.290000 1.428000 
1 1 1    0   10   20 o   13.050   0.3061   12.530   0.4011   13.580   0.4625 -1.051000 0.6122000 
1 1 1    0   10   21 o   11.440   0.3035   11.710   0.4223   11.180   0.4361 0.5359000 0.6071000 
1 1 1    0   10   22 o   16.110   0.2475   16.180   0.3486   16.030   0.3514 0.1491000 0.4950000 
1 1 1    0   10   23 o   4.1140   0.7435   4.4240   0.9982   3.8030   1.1020 0.6209000 1.487000 
1 1 1    0   10   24 o   2.6880   0.7616   2.7260   1.0800   2.6510   1.0750 0.7592000E-01 1.523000 
1 1 1    0   10   25 o   7.5290   0.4359   7.9850   0.5826   7.0740   0.6484 0.9110000 0.8717000 
1 1 1    0   10   26 o   5.7930   0.5653   5.2220   0.8757   6.3650   0.7152 -1.143000 1.131000 
1 1 1    0   10   27 f   3.6910   0.7816   4.6530   1.0300   2.7280   1.1760 1.924000 1.563000 
1 1 1    0   10   28 o   7.1070   0.4893   7.2550   0.6756   6.9600   0.7081 0.2948000 0.9787000 
1 1 1    0   10   29 o   3.1860   0.7336   2.1360   0.9559   4.2370   1.1130 -2.101000 1.467000 
1 1 1    0   10   30 o   2.1080   0.6803   2.0820   0.9415   2.1330   0.9822 -0.5092000E-01 1.361000 
1 1 1    0   10   31 o   2.4850   0.7683   2.8430   1.1610   2.1270   1.0060 0.7157000 1.537000 
1 1 1    0   10   32 o   2.0080   0.6850   1.8280   0.8900   2.1880   1.0420 -0.3603000 1.370000 
1 1 1    0   12    0 o   28.250   0.2512   28.390   0.3559   28.120   0.3546 0.2681000 0.5024000 
1 1 1    0   12    1 o   16.280   0.1658   16.320   0.2327   16.250   0.2363 0.7640000E-01 0.3317000 
1 1 1    0   12    2 o   17.060   0.1651   17.210   0.2320   16.910   0.2349 0.3066000 0.3301000 
1 1 1    0   12    3 o   8.5050   0.2472   8.3280   0.3569   8.6820   0.3423 -0.3537000 0.4945000 
1 1 1    0   12    4 o   23.080   0.1809   23.340   0.2728   22.820   0.2375 0.5212000 0.3617000 
1 1 1    0   12    5 o   27.360   0.1922   27.360   0.2902   27.350   0.2520 0.7071000E-02 0.3844000 
1 1 1    0   12    6 o   41.920   0.2491   41.860   0.3755   41.980   0.3273 -0.1242000 0.4981000 
1 1 1    0   12    7 o   30.220   0.2666   30.120   0.3777   30.320   0.3764 -0.1949000 0.5332000 
1 1 1    0   12    8 o   36.080   0.2422   35.980   0.3407   36.180   0.3444 -0.2053000 0.4845000 
1 1 1    0   12    9 f   19.540   0.2057   19.620   0.2886   19.460   0.2932 0.1567000 0.4114000 
1 1 1    0   12   10 o   26.640   0.2138   26.860   0.3051   26.430   0.2996 0.4307000 0.4276000 
1 1 1    0   12   11 o   44.880   0.3532   44.860   0.4985   44.900   0.5005 -0.3399000E-01 0.7064000 
1 1 1    0   12   12 f   39.440   0.3930   39.330   0.6357   39.540   0.4622 -0.2109000 0.7860000 
1 1 1    0   12   13 o   11.720   0.2931   11.430   0.4218   12.020   0.4072 -0.5915000 0.5862000 
1 1 1    0   12   14 o   6.7110   0.5115   6.4260   0.7564   6.9960   0.6887 -0.5695000 1.023000 
1 1 1    0   12   15 o   16.130   0.2610   16.170   0.3683   16.080   0.3697 0.8825000E-01 0.5219000 
1 1 1    0   12   16 o   31.990   0.2692   31.500   0.4117   32.470   0.3469 -0.9710000 0.5384000 
1 1 1    0   12   17 o   5.4130   0.7946   4.9510   1.2570   5.8750   0.9719 -0.9235000 1.589000 
1 1 1    0   12   18 o   14.710   0.3044   14.760   0.3953   14.660   0.4631 0.1001000 0.6089000 
1 1 1    0   12   19 o   8.3740   0.4027   8.6320   0.5595   8.1150   0.5793 0.5166000 0.8054000 
1 1 1    0   12   20 o   6.7210   0.5010   7.2390   0.6582   6.2020   0.7555 1.037000 1.002000 
1 1 1    0   12   21 o   15.690   0.2587   15.710   0.3721   15.660   0.3595 0.4967000E-01 0.5174000 
1 1 1    0   12   22 o   6.4990   0.5120   6.1490   0.7700   6.8490   0.6752 -0.7003000 1.024000 
1 1 1    0   12   23 o   5.8530   0.5572   5.9620   0.7864   5.7430   0.7897 0.2190000 1.114000 
1 1 1    0   12   24 o   6.9630   0.4725   6.6200   0.7059   7.3060   0.6284 -0.6860000 0.9450000 
1 1 1    0   12   25 o   2.0150   0.6474   2.4500   1.0350   1.5800   0.7775 0.8699000 1.295000 
1 1 1    0   12   26 o   5.0790   0.8029   4.1870   1.2070   5.9720   1.0590 -1.785000 1.606000 
1 1 1    0   12   27 o   1.9260   0.6490   2.1500   0.9985   1.7020   0.8295 0.4480000 1.298000 
1 1 1    0   12   28 o   5.5000   0.6488   5.6160   0.8796   5.3840   0.9540 0.2318000 1.298000 
1 1 1    0   12   29 o   2.0750   0.6766   2.2200   0.9983   1.9300   0.9136 0.2902000 1.353000 
1 1 1    0   12   30 o   2.7140   0.7923   1.9760   0.9413   3.4520   1.2750 -1.476000 1.585000 
1 1 1    0   12   31 o   2.6800   0.7800   3.2050   1.1750   2.1560   1.0260 1.049000 1.560000 
1 1 1    0   14    0 o   12.950   0.2890   13.070   0.4065   12.830   0.4110 0.2350000 0.5781000 
1 1 1    0   14    1 o   38.720   0.2202   38.720   0.3110   38.730   0.3119 -0.1587000E-02 0.4404000 
1 1 1    0   14    2 o   28.160   0.1861   28.390   0.2637   27.930   0.2626 0.4615000 0.3721000 
1 1 1    0   14    3 o   8.9250   0.2655   8.7280   0.3831   9.1220   0.3678 -0.3939000 0.5310000 
1 1 1    0   14    4 o   6.9740   0.3537   7.0630   0.5231   6.8840   0.4762 0.1791000 0.7074000 
1 1 1    0   14    5 o   19.240   0.1937   19.330   0.2930   19.150   0.2534 0.1800000 0.3873000 
1 1 1    0   14    6 o   56.720   0.3231   56.600   0.4877   56.830   0.4238 -0.2291000 0.6461000 
1 1 1    0   14    7 f   43.580   0.3150   43.660   0.4883   43.500   0.3980 0.1643000 0.6300000 
1 1 1    0   14    8 f   28.440   0.3309   28.350   0.5326   28.530   0.3929 -0.1808000 0.6618000 
1 1 1    0   14    9 o   11.710   0.4245   10.440   0.6922   12.980   0.4914 -2.543000 0.8489000 
1 1 1    0   14   10 o   9.5360   0.3689   9.3140   0.5516   9.7580   0.4901 -0.4436000 0.7379000 
1 1 1    0   14   11 o   27.210   0.2293   27.250   0.3239   27.170   0.3246 0.8319000E-01 0.4585000 
1 1 1    0   14   12 o   28.020   0.2341   27.970   0.3298   28.080   0.3323 -0.1098000 0.4682000 
1 1 1    0   14   13 o   17.830   0.2471   17.650   0.3498   18.020   0.3491 -0.3707000 0.4942000 
1 1 1    0   14   14 o   19.600   0.2405   19.720   0.3408   19.490   0.3395 0.2304000 0.4810000 
1 1 1    0   14   15 o   34.300   0.3116   34.450   0.4474   34.150   0.4339 0.2990000 0.6233000 
1 1 1    0   14   16 o   13.070   0.4214   13.330   0.5220   12.810   0.6616 0.5234000 0.8427000 
1 1 1    0   14   17 o   15.720   0.2807   16.030   0.3531   15.400   0.4364 0.6326000 0.5614000 
1 1 1    0   14   18 o   20.250   0.2371   20.020   0.3361   20.470   0.3344 -0.4497000 0.4741000 
1 1 1    0   14   19 o   15.320   0.2589   15.130   0.3735   15.500   0.3587 -0.3645000 0.5179000 
1 1 1    0   14   20 o   19.390   0.2392   19.260   0.3387   19.510   0.3377 -0.2574000 0.4783000 
1 1 1    0   14   21 o   4.1560   0.7360   4.0010   1.0620   4.3120   1.0200 -0.3112000 1.472000 
1 1 1    0   14   22 o   13.830   0.2767   14.450   0.3814   13.210   0.4011 1.244000 0.5535000 
1 1 1    0   14   23 o   9.4720   0.3647   9.8400   0.5064   9.1030   0.5251 0.7372000 0.7295000 
1 1 1    0   14   24 o   8.2200   0.4198   8.9210   0.5585   7.5190   0.6268 1.402000 0.8395000 
1 1 1    0   14   25 o   2.9580   0.8459   2.4490   1.1050   3.4680   1.2810 -1.019000 1.692000 
1 1 1    0   14   26 o   5.2690   0.9098  ?   ?    5.2690   0.9098      ?      ? 
1 1 1    0   14   27 o   3.9430   0.8161   4.0690   1.1710   3.8180   1.1370 0.2509000 1.632000 
1 1 1    0   14   28 o   3.8150   0.8021   3.2130   1.1720   4.4170   1.0950 -1.204000 1.604000 
1 1 1    0   14   29 o   2.8460   0.8659   2.8850   1.2540   2.8080   1.1940 0.7667000E-01 1.732000 
1 1 1    0   14   30 o   2.2660   0.7300   1.6630   0.8226   2.8690   1.2060 -1.206000 1.460000 
1 1 1    0   16    0 o   51.850   0.5617   52.010   0.7958   51.680   0.7928 0.3346000 1.123000 
1 1 1    0   16    1 o   16.860   0.2793   17.010   0.3908   16.700   0.3993 0.3028000 0.5587000 
1 1 1    0   16    2 o   44.120   0.3495   44.220   0.4945   44.030   0.4941 0.1906000 0.6991000 
1 1 1    0   16    3 o   27.290   0.2732   27.500   0.3834   27.070   0.3894 0.4353000 0.5464000 
1 1 1    0   16    4 o   19.600   0.2708   19.530   0.3800   19.670   0.3860 -0.1422000 0.5416000 
1 1 1    0   16    5 o   24.200   0.2442   23.730   0.3743   24.670   0.3137 -0.9435000 0.4884000 
1 1 1    0   16    6 o   24.330   0.2093   24.270   0.3162   24.390   0.2742 -0.1168000 0.4185000 
1 1 1    0   16    7 o   21.560   0.2102   21.520   0.3160   21.610   0.2774 -0.9274000E-01 0.4205000 
1 1 1    0   16    8 o   9.6300   0.3354   9.8770   0.4928   9.3820   0.4552 0.4946000 0.6709000 
1 1 1    0   16    9 o   14.480   0.2510   14.580   0.3728   14.370   0.3361 0.2110000 0.5020000 
1 1 1    0   16   10 o   25.100   0.2309   25.110   0.3258   25.100   0.3271 0.1318000E-01 0.4617000 
1 1 1    0   16   11 o   26.650   0.2372   26.180   0.3332   27.120   0.3377 -0.9455000 0.4744000 
1 1 1    0   16   12 o   28.680   0.2410   28.390   0.3399   28.970   0.3419 -0.5877000 0.4821000 
1 1 1    0   16   13 o   21.790   0.2981   22.230   0.4244   21.360   0.4187 0.8680000 0.5962000 
1 1 1    0   16   14 o   9.8660   0.3860   9.7240   0.5161   10.010   0.5742 -0.2841000 0.7721000 
1 1 1    0   16   15 o   12.090   0.3054   12.390   0.4094   11.780   0.4533 0.6132000 0.6108000 
1 1 1    0   16   16 o   18.300   0.2433   18.270   0.3480   18.330   0.3403 -0.6759000E-01 0.4867000 
1 1 1    0   16   17 f   6.9620   0.4913   6.2120   0.7646   7.7120   0.6172 -1.500000 0.9827000 
1 1 1    0   16   18 o   15.330   0.2837   15.690   0.4234   14.960   0.3776 0.7284000 0.5674000 
1 1 1    0   16   19 o   9.8640   0.3594   10.900   0.4599   8.8310   0.5526 2.066000 0.7189000 
1 1 1    0   16   20 o   7.2260   0.4620   7.5580   0.6384   6.8930   0.6679 0.6653000 0.9240000 
1 1 1    0   16   21 o   2.1740   0.6849   2.0990   0.9523   2.2500   0.9847 -0.1513000 1.370000 
1 1 1    0   16   22 o   7.3530   0.4603   6.7920   0.7135   7.9140   0.5818 -1.122000 0.9207000 
1 1 1    0   16   23 o   3.6090   0.8888   3.2330   1.2110   3.9860   1.3010 -0.7535000 1.778000 
1 1 1    0   16   24 o   4.3750   0.7874   4.8130   1.1190   3.9370   1.1080 0.8763000 1.575000 
1 1 1    0   16   25 o   6.4170   0.5563   5.9200   0.8654   6.9130   0.6991 -0.9933000 1.113000 
1 1 1    0   16   26 o   1.8990   0.6356   1.8140   0.8716   1.9840   0.9253 -0.1701000 1.271000 
1 1 1    0   16   27 o   2.0160   0.6634   2.2740   1.0150   1.7580   0.8542 0.5166000 1.327000 
1 1 1    0   16   28 o   5.8700   0.7770   6.2220   1.0760   5.5180   1.1220 0.7037000 1.554000 
1 1 1    0   16   29 o   2.6530   0.8086   2.3360   1.0480   2.9700   1.2310 -0.6345000 1.617000 
1 1 1    0   18    0 o   32.010   0.2997   31.620   0.4210   32.400   0.4268 -0.7763000 0.5995000 
1 1 1    0   18    1 o   14.620   0.2312   14.870   0.3219   14.370   0.3321 0.4987000 0.4625000 
1 1 1    0   18    2 o   15.280   0.2268   15.560   0.3172   15.000   0.3243 0.5638000 0.4536000 
1 1 1    0   18    3 o   13.500   0.2451   13.420   0.3469   13.580   0.3463 -0.1571000 0.4902000 
1 1 1    0   18    4 o   11.100   0.2838   10.990   0.4036   11.200   0.3992 -0.2117000 0.5677000 
1 1 1    0   18    5 o   24.760   0.2180   24.480   0.3272   25.030   0.2882 -0.5476000 0.4360000 
1 1 1    0   18    6 o   32.760   0.2493   33.010   0.3523   32.510   0.3528 0.4961000 0.4986000 
1 1 1    0   18    7 o   7.9260   0.4123   8.0370   0.6095   7.8160   0.5555 0.2204000 0.8247000 
1 1 1    0   18    8 o   13.530   0.2887   13.630   0.3965   13.430   0.4196 0.1963000 0.5773000 
1 1 1    0   18    9 o   11.530   0.3668   11.240   0.5819   11.820   0.4468 -0.5864000 0.7336000 
1 1 1    0   18   10 o   15.670   0.3237   15.670   0.4682   15.660   0.4472 0.8613000E-02 0.6475000 
1 1 1    0   18   11 o   4.7550   0.6912   5.2280   0.9116   4.2820   1.0390 0.9451000 1.382000 
1 1 1    0   18   12 o   13.910   0.2775   14.120   0.3839   13.700   0.4008 0.4185000 0.5549000 
1 1 1    0   18   13 o   18.350   0.2494   18.250   0.3545   18.450   0.3510 -0.1965000 0.4989000 
1 1 1    0   18   14 o   16.060   0.2657   16.110   0.3692   16.000   0.3822 0.1034000 0.5314000 
1 1 1    0   18   15 o   3.6040   0.8100   3.3490   1.1380   3.8590   1.1530 -0.5099000 1.620000 
1 1 1    0   18   16 o   6.0290   0.5714   5.4760   0.8594   6.5820   0.7533 -1.106000 1.143000 
1 1 1    0   18   17 o   3.3740   0.7793   2.9850   1.0970   3.7630   1.1070 -0.7779000 1.559000 
1 1 1    0   18   18 o   11.170   0.3142   11.220   0.4460   11.120   0.4426 0.1034000 0.6283000 
1 1 1    0   18   19 o   7.8930   0.4237   7.4710   0.6125   8.3160   0.5855 -0.8441000 0.8474000 
1 1 1    0   18   20 o   4.6750   0.7043   4.0750   1.0800   5.2750   0.9041 -1.200000 1.409000 
1 1 1    0   18   21 o   5.7080   0.7563   5.2070   1.1110   6.2090   1.0260 -1.002000 1.513000 
1 1 1    0   18   22 o   3.9690   0.8942   5.1890   1.3270   2.7490   1.1990 2.441000 1.788000 
1 1 1    0   18   23 o   2.2650   0.7253   2.7560   1.1710   1.7750   0.8560 0.9809000 1.451000 
1 1 1    0   18   24 o   2.6100   0.7615   3.0080   1.1560   2.2130   0.9912 0.7956000 1.523000 
1 1 1    0   18   25 o   2.0050   0.6625   2.1280   0.9765   1.8820   0.8956 0.2460000 1.325000 
1 1 1    0   18   26 o   4.3860   0.9250   4.3370   1.3450   4.4350   1.2700 -0.9848000E-01 1.850000 
1 1 1    0   18   27 o   4.3350   0.9243   4.7160   1.1020   3.9540   1.4840 0.7622000 1.849000 
1 1 1    0   20    0 o   15.350   0.4664   14.800   0.6896   15.890   0.6282 -1.091000 0.9329000 
1 1 1    0   20    1 o   5.7050   0.7524   6.0210   1.0400   5.3890   1.0870 0.6314000 1.505000 
1 1 1    0   20    2 o   3.5030   0.8885   3.0650   1.2440   3.9400   1.2690 -0.8746000 1.777000 
1 1 1    0   20    3 o   24.390   0.2904   25.010   0.4159   23.770   0.4054 1.244000 0.5808000 
1 1 1    0   20    4 o   21.810   0.2948   22.300   0.4215   21.330   0.4124 0.9663000 0.5897000 
1 1 1    0   20    5 o   8.7820   0.4955   8.7080   0.7293   8.8560   0.6709 -0.1476000 0.9909000 
1 1 1    0   20    6 o   2.4560   0.7421   2.7600   1.1160   2.1520   0.9781 0.6074000 1.484000 
1 1 1    0   20    7 o   3.3850   0.7731   4.0940   1.1290   2.6760   1.0560 1.418000 1.546000 
1 1 1    0   20    8 o   7.8010   0.4056   7.6850   0.6051   7.9160   0.5404 -0.2312000 0.8113000 
1 1 1    0   20    9 o   7.3890   0.4269   7.5080   0.6294   7.2700   0.5769 0.2382000 0.8538000 
1 1 1    0   20   10 o   11.730   0.2913   11.450   0.4432   12.000   0.3782 -0.5491000 0.5826000 
1 1 1    0   20   11 o   2.8630   0.7528   3.3190   1.1270   2.4070   0.9980 0.9119000 1.506000 
1 1 1    0   20   12 o   9.7110   0.3389   10.050   0.4939   9.3680   0.4642 0.6849000 0.6778000 
1 1 1    0   20   13 o   3.4750   0.7599   3.9240   1.1050   3.0260   1.0440 0.8983000 1.520000 
1 1 1    0   20   14 o   2.7330   0.7658   2.5680   1.0640   2.8990   1.1020 -0.3313000 1.532000 
1 1 1    0   20   15 o   4.2220   0.7514   3.5870   1.1250   4.8560   0.9963 -1.269000 1.503000 
1 1 1    0   20   16 o   6.5800   0.5505   7.5520   0.6053   5.6070   0.9195 1.945000 1.101000 
1 1 1    0   20   17 o   12.260   0.3155   12.220   0.4288   12.290   0.4629 -0.6938000E-01 0.6310000 
1 1 1    0   20   18 o   3.5250   0.7693   2.7340   1.0880   4.3150   1.0880 -1.581000 1.539000 
1 1 1    0   20   19 o   7.4450   0.6240   8.2940   0.7262   6.5960   1.0150 1.698000 1.248000 
1 1 1    0   20   20 o   5.1700   0.8349   4.7460   1.4000   5.5930   0.9107 -0.8470000 1.670000 
1 1 1    0   20   21 o   7.8920   0.4998   8.0230   0.7455   7.7620   0.6660 0.2611000 0.9996000 
1 1 1    0   20   22 o   2.4130   0.7355   2.7340   1.1090   2.0930   0.9670 0.6411000 1.471000 
1 1 1    0   20   23 o   4.9740   0.7267   4.5530   1.0830   5.3950   0.9694 -0.8424000 1.453000 
1 1 1    0   20   24 o   2.0360   0.6635   1.5980   0.7926   2.4740   1.0640 -0.8759000 1.327000 
1 1 1    0   20   25 f   1.8690   0.6519   2.0140   0.9839   1.7250   0.8556 0.2890000 1.304000 
1 1 1    0   20   26 o   2.1660   0.7138   2.0160   0.9504   2.3160   1.0650 -0.3002000 1.428000 
1 1 1    0   22    0 f   15.920   0.3298   15.980   0.4652   15.860   0.4675 0.1161000 0.6596000 
1 1 1    0   22    1 o   24.910   0.2076   24.970   0.2940   24.850   0.2932 0.1212000 0.4152000 
1 1 1    0   22    2 o   12.890   0.2598   12.550   0.3733   13.220   0.3614 -0.6683000 0.5196000 
1 1 1    0   22    3 o   9.9910   0.3136   9.6570   0.4531   10.330   0.4337 -0.6683000 0.6272000 
1 1 1    0   22    4 o   14.150   0.2444   14.450   0.3367   13.850   0.3543 0.6004000 0.4887000 
1 1 1    0   22    5 o   6.1750   0.5220   5.9320   0.8040   6.4180   0.6658 -0.4858000 1.044000 
1 1 1    0   22    6 o   14.710   0.2613   14.770   0.3937   14.640   0.3438 0.1286000 0.5227000 
1 1 1    0   22    7 o   15.470   0.2549   15.190   0.3910   15.740   0.3271 -0.5447000 0.5098000 
1 1 1    0   22    8 o   4.7770   0.6710   4.3870   1.0780   5.1660   0.7988 -0.7789000 1.342000 
1 1 1    0   22    9 o   9.6200   0.3427   9.7590   0.5163   9.4810   0.4508 0.2779000 0.6855000 
1 1 1    0   22   10 o   8.1490   0.3891   8.8250   0.5368   7.4720   0.5634 1.353000 0.7782000 
1 1 1    0   22   11 o   3.9800   0.7221   4.0080   1.0610   3.9520   0.9799 0.5615000E-01 1.444000 
1 1 1    0   22   12 o   7.8450   0.3923   7.4390   0.6112   8.2500   0.4919 -0.8106000 0.7845000 
1 1 1    0   22   13 o   8.9320   0.3657   9.1740   0.5427   8.6900   0.4903 0.4834000 0.7314000 
1 1 1    0   22   14 o   3.2430   0.7630   3.6680   1.1080   2.8170   1.0490 0.8505000 1.526000 
1 1 1    0   22   15 o   7.4980   0.4280   7.3700   0.6588   7.6250   0.5467 -0.2549000 0.8561000 
1 1 1    0   22   16 o   8.0950   0.5550   8.7690   0.6629   7.4220   0.8902 1.347000 1.110000 
1 1 1    0   22   17 o   5.0950   0.8684   5.4860   1.0690   4.7040   1.3690 0.7818000 1.737000 
1 1 1    0   22   18 o   5.7200   0.7052   6.4820   0.9067   4.9580   1.0800 1.523000 1.410000 
1 1 1    0   22   19 o   2.2390   0.7151   2.0720   0.9556   2.4060   1.0640 -0.3340000 1.430000 
1 1 1    0   22   20 o   3.0440   0.7970   2.4860   1.0630   3.6020   1.1880 -1.116000 1.594000 
1 1 1    0   22   21 o   2.0230   0.6730   1.8720   0.8961   2.1740   1.0040 -0.3020000 1.346000 
1 1 1    0   22   22 o   6.0410   0.8059   5.3980   1.2590   6.6840   1.0060 -1.286000 1.612000 
1 1 1    0   22   23 o   11.170   0.4702   10.790   0.7025   11.560   0.6253 -0.7741000 0.9405000 
1 1 1    0   22   24 o   2.5250   0.7754   2.6950   1.1100   2.3550   1.0830 0.3400000 1.551000 
1 1 1    0   24    0 o   19.110   0.4423  ?   ?    19.110   0.4423      ?      ? 
1 1 1    0   24    1 o   16.020   0.2312   15.860   0.3263   16.180   0.3277 -0.3278000 0.4624000 
1 1 1    0   24    2 o   6.6680   0.4375   6.8590   0.5974   6.4780   0.6393 0.3812000 0.8749000 
1 1 1    0   24    3 o   16.360   0.2274   16.430   0.3201   16.300   0.3231 0.1326000 0.4548000 
1 1 1    0   24    4 o   16.940   0.2253   16.940   0.3192   16.940   0.3180 -0.3389000E-02 0.4506000 
1 1 1    0   24    5 o   8.4020   0.3926   7.7940   0.6238   9.0100   0.4768 -1.216000 0.7851000 
1 1 1    0   24    6 o   18.070   0.2419   17.990   0.3681   18.150   0.3139 -0.1608000 0.4838000 
1 1 1    0   24    7 o   2.9780   0.7534   2.5950   1.0800   3.3610   1.0500 -0.7659000 1.507000 
1 1 1    0   24    8 o   4.2690   0.7171   4.9510   0.9831   3.5870   1.0440 1.364000 1.434000 
1 1 1    0   24    9 o   4.9820   0.6493   4.3540   1.0670   5.6100   0.7400 -1.256000 1.299000 
1 1 1    0   24   10 o   6.6710   0.4801   7.0010   0.7033   6.3420   0.6536 0.6593000 0.9602000 
1 1 1    0   24   11 o   2.8650   0.7310   2.3440   1.0180   3.3850   1.0490 -1.042000 1.462000 
1 1 1    0   24   12 o   2.6540   0.7507   2.1450   0.9626   3.1630   1.1520 -1.018000 1.501000 
1 1 1    0   24   13 o   5.0200   0.7462   4.0610   1.2390   5.9800   0.8319 -1.919000 1.492000 
1 1 1    0   24   14 o   5.2900   0.8867   4.3520   1.4340   6.2280   1.0440 -1.877000 1.773000 
1 1 1    0   24   15 o   3.3860   0.8016   2.7210   1.1480   4.0500   1.1190 -1.329000 1.603000 
1 1 1    0   24   16 o   7.0110   0.4821   8.0030   0.5995   6.0190   0.7551 1.984000 0.9642000 
1 1 1    0   24   17 o   7.0750   0.4773   7.6470   0.6324   6.5030   0.7151 1.145000 0.9546000 
1 1 1    0   24   18 o   2.1650   0.6973   1.9270   0.9089   2.4030   1.0580 -0.4763000 1.395000 
1 1 1    0   24   19 o   4.0110   0.8346   4.2790   1.1540   3.7430   1.2060 0.5365000 1.669000 
1 1 1    0   24   20 o   3.0530   0.8858   2.9770   1.2500   3.1300   1.2550 -0.1536000 1.772000 
1 1 1    0   24   21 o   2.7640   0.8178   2.3150   1.0300   3.2130   1.2700 -0.8980000 1.636000 
1 1 1    0   26    0 o   3.0860   0.8612   2.9440   1.2010   3.2280   1.2350 -0.2842000 1.722000 
1 1 1    0   26    1 o   5.4520   0.5328   5.2430   0.7804   5.6620   0.7254 -0.4194000 1.066000 
1 1 1    0   26    2 o   4.6930   0.6089   4.4830   0.8905   4.9030   0.8307 -0.4198000 1.218000 
1 1 1    0   26    3 o   6.4150   0.4469   6.2790   0.6391   6.5510   0.6250 -0.2713000 0.8939000 
1 1 1    0   26    4 o   4.0880   0.6796   3.6660   1.0200   4.5100   0.8978 -0.8437000 1.359000 
1 1 1    0   26    5 f   12.000   0.2915   11.950   0.4419   12.050   0.3801 -0.1076000 0.5829000 
1 1 1    0   26    6 o   2.4810   0.7470   2.3280   1.0280   2.6350   1.0840 -0.3067000 1.494000 
1 1 1    0   26    7 o   6.2580   0.6156   6.0810   0.9590   6.4350   0.7722 -0.3541000 1.231000 
1 1 1    0   26    8 o   4.5490   0.9229   5.4250   1.3080   3.6730   1.3020 1.752000 1.846000 
1 1 1    0   26    9 o   6.7390   0.7786   5.7710   1.3110   7.7070   0.8399 -1.935000 1.557000 
1 1 1    0   26   10 o   11.210   0.3611   11.590   0.5304   10.830   0.4902 0.7577000 0.7223000 
1 1 1    0   26   11 o   9.5280   0.3667   9.3510   0.5560   9.7050   0.4782 -0.3537000 0.7334000 
1 1 1    0   26   12 o   7.4510   0.4459   7.5330   0.6590   7.3700   0.6007 0.1627000 0.8917000 
1 1 1    0   26   13 o   7.1270   0.4690   6.9230   0.7081   7.3310   0.6153 -0.4079000 0.9380000 
1 1 1    0   26   14 f   3.8240   0.7779   4.1040   1.1060   3.5450   1.0950 0.5592000 1.556000 
1 1 1    0   26   15 o   2.8600   0.7773   2.8000   1.1120   2.9210   1.0870 -0.1209000 1.555000 
1 1 1    0   26   16 o   3.5580   0.7819   4.2830   1.1160   2.8330   1.0960 1.451000 1.564000 
1 1 1    0   26   17 o   2.2040   0.7294   2.4000   1.1090   2.0080   0.9479 0.3918000 1.459000 
1 1 1    0   26   18 o   2.7830   0.7993   2.7750   1.1200   2.7910   1.1400 -0.1564000E-01 1.599000 
1 1 1    0   26   19 o   1.8830   0.6551   1.6390   0.8249   2.1280   1.0180 -0.4882000 1.310000 
1 1 1    0   28    0 o   6.8920   0.6747   7.7020   0.8343   6.0810   1.0610 1.621000 1.349000 
1 1 1    0   28    1 o   6.0410   0.5250   6.5800   0.6584   5.5010   0.8178 1.079000 1.050000 
1 1 1    0   28    2 f   8.9470   0.3606   9.2410   0.4941   8.6520   0.5253 0.5893000 0.7212000 
1 1 1    0   28    3 o   3.7490   0.7492   3.7440   1.0550   3.7540   1.0640 -0.9982000E-02 1.498000 
1 1 1    0   28    4 o   2.9020   0.7567   2.8000   1.0600   3.0050   1.0800 -0.2047000 1.513000 
1 1 1    0   28    5 o   3.0800   0.7948   3.3050   1.1690   2.8560   1.0770 0.4492000 1.590000 
1 1 1    0   28    6 o   2.3850   0.7319   2.4700   1.0760   2.3000   0.9919 0.1704000 1.464000 
1 1 1    0   28    7 o   6.9500   0.5019   6.5640   0.8059   7.3360   0.5984 -0.7721000 1.004000 
1 1 1    0   28    8 o   5.2710   0.6569   5.1930   1.0300   5.3490   0.8162 -0.1560000 1.314000 
1 1 1    0   28    9 o   5.4190   0.6217   6.2740   0.7980   4.5640   0.9536 1.710000 1.243000 
1 1 1    0   28   10 o   2.3990   0.7209   2.2080   0.9980   2.5910   1.0410 -0.3826000 1.442000 
1 1 1    0   28   11 o   7.9240   0.4373   7.8520   0.6629   7.9970   0.5704 -0.1450000 0.8745000 
1 1 1    0   28   12 o   2.8550   0.8388   3.3410   1.3040   2.3680   1.0550 0.9725000 1.678000 
1 1 1    0   28   13 o   3.0390   0.8519   2.8870   1.2310   3.1900   1.1780 -0.3039000 1.704000 
1 1 1    0   28   14 o   2.2650   0.7481   2.3110   1.0770   2.2190   1.0390 0.9164000E-01 1.496000 
1 1 1    0   28   15 o   3.4940   0.8360   3.4260   1.1790   3.5620   1.1850 -0.1365000 1.672000 
1 1 1    0   30    0 o   6.6050   0.7259   7.0500   0.9927   6.1600   1.0590 0.8906000 1.452000 
1 1 1    0   30    1 o   4.3010   0.7312   4.2970   1.0480   4.3040   1.0200 -0.7537000E-02 1.462000 
1 1 1    0   30    2 o   1.7720   0.6008   1.7700   0.8513   1.7740   0.8480 -0.4018000E-02 1.202000 
1 1 1    0   30    3 o   2.0600   0.6570   2.5460   1.0610   1.5740   0.7754 0.9717000 1.314000 
1 1 1    0   30    4 o   2.2400   0.6975   2.0890   0.9496   2.3910   1.0220 -0.3025000 1.395000 
1 1 1    0   30    5 o   2.8750   0.8249   2.4910   1.1450   3.2590   1.1880 -0.7681000 1.650000 
1 1 1    0   30    6 o   2.8010   0.8238   3.6950   1.3710   1.9060   0.9143 1.789000 1.648000 
1 1 1    0   30    7 o   2.8040   0.8621   2.8250   1.2370   2.7820   1.2010 0.4378000E-01 1.724000 
1 1 1    0   30    8 o   2.3360   0.7688   2.2190   1.0590   2.4530   1.1150 -0.2339000 1.538000 
1 1 1    0   30    9 o   2.1870   0.6905   1.7630   0.8568   2.6100   1.0830 -0.8464000 1.381000 
1 1 1    0   30   10 o   2.1110   0.6907   2.2530   1.0220   1.9690   0.9299 0.2842000 1.381000 
1 1 1    1    1    1 o   30.140   0.1754   30.090   0.2477   30.180   0.2483 -0.8242000E-01 0.3507000 
1 1 1    1    1    2 o   45.030   0.2601   45.110   0.3686   44.950   0.3672 0.1646000 0.5203000 
1 1 1    1    1    3 o   42.820   0.2486   42.510   0.3493   43.130   0.3540 -0.6227000 0.4973000 
1 1 1    1    1    4 o   35.770   0.3168   35.730   0.5169   35.810   0.3663 -0.7369000E-01 0.6335000 
1 1 1    1    1    5 o   46.150   0.2699   46.120   0.3815   46.180   0.3820 -0.6202000E-01 0.5398000 
1 1 1    1    1    6 o   48.160   0.2642   47.940   0.3441   48.370   0.4011 -0.4314000 0.5285000 
1 1 1    1    1    7 o   65.130   0.3535   64.910   0.4609   65.360   0.5361 -0.4536000 0.7070000 
1 1 1    1    1    8 o   88.790   0.4790   88.820   0.6272   88.760   0.7242 0.5952000E-01 0.9580000 
1 1 1    1    1    9 o   24.650   0.2525   25.140   0.2965   24.160   0.4087 0.9808000 0.5049000 
1 1 1    1    1   10 o   29.790   0.1812   29.970   0.2386   29.600   0.2729 0.3715000 0.3625000 
1 1 1    1    1   11 o   33.180   0.1984   33.360   0.2608   33.010   0.2989 0.3459000 0.3967000 
1 1 1    1    1   12 o   10.500   0.1839   10.520   0.2383   10.480   0.2800 0.4136000E-01 0.3677000 
1 1 1    1    1   13 o   13.630   0.1844   13.640   0.2634   13.620   0.2580 0.2087000E-01 0.3687000 
1 1 1    1    1   14 o   23.740   0.1739   23.850   0.2283   23.620   0.2624 0.2315000 0.3478000 
1 1 1    1    1   15 o   30.020   0.1966   30.110   0.2576   29.930   0.2970 0.1845000 0.3932000 
1 1 1    1    1   16 o   19.340   0.1974   19.440   0.2575   19.230   0.2993 0.2116000 0.3948000 
1 1 1    1    1   17 o   43.280   0.3379   43.480   0.4794   43.080   0.4762 0.3980000 0.6757000 
1 1 1    1    1   18 o   24.080   0.2050   24.240   0.2688   23.930   0.3096 0.3074000 0.4100000 
1 1 1    1    1   19 o   18.470   0.2329   18.430   0.3043   18.510   0.3527 -0.8071000E-01 0.4658000 
1 1 1    1    1   20 o   13.130   0.2835   12.990   0.3726   13.280   0.4275 -0.2905000 0.5671000 
1 1 1    1    1   21 o   9.2020   0.3496   9.2000   0.4601   9.2040   0.5265 -0.3616000E-02 0.6992000 
1 1 1    1    1   22 o   14.430   0.4053   14.910   0.4596   13.940   0.6676 0.9732000 0.8105000 
1 1 1    1    1   23 o   5.2190   0.5809   5.1770   0.7729   5.2610   0.8675 -0.8370000E-01 1.162000 
1 1 1    1    1   24 o   8.2910   0.3740   8.0940   0.5084   8.4890   0.5487 -0.3954000 0.7481000 
1 1 1    1    1   25 o   10.520   0.3061   10.280   0.4133   10.760   0.4516 -0.4794000 0.6122000 
1 1 1    1    1   26 o   2.7610   0.6736   3.6730   1.0220   1.8490   0.8776 1.824000 1.347000 
1 1 1    1    1   27 o   5.8420   0.5234   5.6090   0.7151   6.0750   0.7644 -0.4651000 1.047000 
1 1 1    1    1   28 o   5.6410   0.5593   6.1090   0.6493   5.1730   0.9109 0.9363000 1.119000 
1 1 1    1    1   29 o   7.1580   0.5812   6.8690   0.8387   7.4470   0.8048 -0.5784000 1.162000 
1 1 1    1    1   30 o   2.6930   0.7752   2.3880   1.0450   2.9970   1.1450 -0.6086000 1.550000 
1 1 1    1    1   31 o   2.9370   0.8004   2.5790   1.0940   3.2950   1.1690 -0.7163000 1.601000 
1 1 1    1    1   32 o   3.3070   0.8032   3.8880   1.1630   2.7250   1.1080 1.163000 1.606000 
1 1 1    1    1   33 o   2.4540   0.8348   2.0900   1.0440   2.8180   1.3030 -0.7284000 1.670000 
1 1 1    1    3    0 f   59.770   0.2986   59.900   0.4231   59.630   0.4213 0.2668000 0.5971000 
1 1 1    1    3    1 o   45.180   0.2277   45.480   0.3241   44.880   0.3199 0.6000000 0.4553000 
1 1 1    1    3    2 o   64.460   0.5613   65.190   0.9237   63.730   0.6380 1.461000 1.123000 
1 1 1    1    3    3 o   73.490   0.6375   73.410   1.0410   73.570   0.7361 -0.1552000 1.275000 
1 1 1    1    3    4 o   77.290   0.4458   77.330   0.6307   77.260   0.6301 0.6528000E-01 0.8916000 
1 1 1    1    3    5 o   72.200   0.4173   72.060   0.5890   72.340   0.5912 -0.2757000 0.8346000 
1 1 1    1    3    6 f   81.990   0.4730   81.520   0.6651   82.460   0.6726 -0.9326000 0.9459000 
1 1 1    1    3    7 o   63.190   0.3678   63.390   0.5217   62.990   0.5185 0.3979000 0.7355000 
1 1 1    1    3    8 o   63.560   0.5563   63.710   0.6443   63.410   0.9070 0.3039000 1.113000 
1 1 1    1    3    9 o   51.070   0.3717   51.620   0.5305   50.520   0.5207 1.102000 0.7434000 
1 1 1    1    3   10 o   20.270   0.1620   20.260   0.2287   20.280   0.2295 -0.2280000E-01 0.3240000 
1 1 1    1    3   11 o   18.650   0.1647   18.970   0.2339   18.320   0.2319 0.6437000 0.3294000 
1 1 1    1    3   12 o   4.3810   0.4070   3.8700   0.5928   4.8920   0.5579 -1.022000 0.8140000 
1 1 1    1    3   13 o   16.520   0.1649   16.210   0.2167   16.830   0.2485 -0.6267000 0.3297000 
1 1 1    1    3   14 o   34.420   0.2114   34.170   0.2757   34.670   0.3205 -0.5038000 0.4228000 
1 1 1    1    3   15 o   41.560   0.2460   41.770   0.3235   41.360   0.3707 0.4050000 0.4920000 
1 1 1    1    3   16 o   36.810   0.2318   36.700   0.3021   36.920   0.3517 -0.2169000 0.4636000 
1 1 1    1    3   17 o   42.360   0.3342   42.570   0.4735   42.140   0.4718 0.4357000 0.6685000 
1 1 1    1    3   18 o   33.430   0.2254   33.160   0.2942   33.700   0.3416 -0.5437000 0.4508000 
1 1 1    1    3   19 o   9.4480   0.3756   9.7930   0.4679   9.1040   0.5877 0.6887000 0.7512000 
1 1 1    1    3   20 o   7.6130   0.4404   7.4600   0.5860   7.7660   0.6577 -0.3059000 0.8808000 
1 1 1    1    3   21 o   11.740   0.3491   11.500   0.4540   11.990   0.5305 -0.4923000 0.6982000 
1 1 1    1    3   22 o   11.330   0.3594   11.270   0.4478   11.380   0.5622 -0.1033000 0.7187000 
1 1 1    1    3   23 o   21.960   0.2116   21.730   0.2759   22.190   0.3208 -0.4576000 0.4231000 
1 1 1    1    3   24 o   2.3860   0.6884   1.7220   0.8165   3.0510   1.1090 -1.329000 1.377000 
1 1 1    1    3   25 o   6.4640   0.4782   6.8780   0.5742   6.0500   0.7647 0.8276000 0.9563000 
1 1 1    1    3   26 o   3.1240   0.7232   2.2520   0.9584   3.9960   1.0830 -1.744000 1.446000 
1 1 1    1    3   27 o   2.5570   0.7326   2.3930   0.9888   2.7210   1.0810 -0.3283000 1.465000 
1 1 1    1    3   28 f   3.0590   0.7385   2.3580   0.9749   3.7600   1.1100 -1.402000 1.477000 
1 1 1    1    3   29 o   3.2470   0.8297   4.0580   1.2430   2.4370   1.0990 1.621000 1.659000 
1 1 1    1    3   30 o   4.3930   0.7478   3.9520   1.0640   4.8340   1.0510 -0.8821000 1.496000 
1 1 1    1    3   31 o   2.1380   0.6884   1.8240   0.8677   2.4510   1.0690 -0.6275000 1.377000 
1 1 1    1    3   32 o   2.6750   0.7519   3.1010   1.1090   2.2500   1.0150 0.8508000 1.504000 
1 1 1    1    3   33 o   2.1640   0.7451   2.2590   1.0740   2.0680   1.0330 0.1909000 1.490000 
1 1 1    1    5    0 o   27.360   0.1497   27.530   0.2128   27.190   0.2105 0.3393000 0.2993000 
1 1 1    1    5    1 o   21.230   0.1263   21.380   0.1792   21.090   0.1780 0.2945000 0.2526000 
1 1 1    1    5    2 o   51.140   0.2804   51.050   0.4231   51.220   0.3680 -0.1743000 0.5607000 
1 1 1    1    5    3 o   44.270   0.2627   44.270   0.3714   44.260   0.3717 0.4650000E-02 0.5254000 
1 1 1    1    5    4 o   60.430   0.3524   60.740   0.5008   60.110   0.4960 0.6302000 0.7049000 
1 1 1    1    5    5 o   97.730   0.5630   97.860   0.7973   97.610   0.7952 0.2502000 1.126000 
1 1 1    1    5    6 o   55.860   0.3281   55.900   0.4644   55.830   0.4635 0.7375000E-01 0.6562000 
1 1 1    1    5    7 o   8.8890   0.2733   8.7470   0.3517   9.0320   0.4185 -0.2851000 0.5467000 
1 1 1    1    5    8 o   15.600   0.1698   15.710   0.2198   15.480   0.2590 0.2328000 0.3397000 
1 1 1    1    5    9 o   22.010   0.1688   21.810   0.2379   22.210   0.2396 -0.4053000 0.3377000 
1 1 1    1    5   10 o   6.2060   0.2925   6.0680   0.4209   6.3430   0.4063 -0.2758000 0.5850000 
1 1 1    1    5   11 o   22.480   0.1778   22.550   0.2528   22.410   0.2500 0.1418000 0.3555000 
1 1 1    1    5   12 o   6.2670   0.3261   6.3280   0.4542   6.2050   0.4680 0.1224000 0.6521000 
1 1 1    1    5   13 o   49.570   0.3013   49.560   0.4262   49.580   0.4259 -0.1501000E-01 0.6025000 
1 1 1    1    5   14 o   43.000   0.2696   42.790   0.3801   43.210   0.3824 -0.4186000 0.5392000 
1 1 1    1    5   15 o   13.310   0.2450   13.780   0.3381   12.830   0.3546 0.9479000 0.4899000 
1 1 1    1    5   16 o   11.160   0.4170   11.040   0.6733   11.270   0.4922 -0.2266000 0.8340000 
1 1 1    1    5   17 o   12.900   0.2985   12.800   0.4595   12.990   0.3810 -0.1902000 0.5969000 
1 1 1    1    5   18 o   18.120   0.2297   18.210   0.2999   18.030   0.3481 0.1739000 0.4595000 
1 1 1    1    5   19 f   22.320   0.2197   22.320   0.2876   22.320   0.3321 0.1966000E-02 0.4394000 
1 1 1    1    5   20 o   8.2130   0.3935   8.0130   0.5328   8.4120   0.5793 -0.3990000 0.7870000 
1 1 1    1    5   21 o   6.5890   0.7678   7.0130   0.8779   6.1650   1.2600 0.8471000 1.536000 
1 1 1    1    5   22 o   25.950   0.2144   26.110   0.2826   25.800   0.3225 0.3150000 0.4288000 
1 1 1    1    5   23 o   7.6220   0.4022   7.6130   0.5203   7.6310   0.6134 -0.1781000E-01 0.8043000 
1 1 1    1    5   24 o   8.9650   0.3423   8.9440   0.4480   8.9870   0.5177 -0.4311000E-01 0.6846000 
1 1 1    1    5   25 f   9.4180   0.3354   9.1770   0.4514   9.6600   0.4963 -0.4830000 0.6709000 
1 1 1    1    5   26 o   8.6670   0.3603   8.7180   0.4744   8.6160   0.5424 0.1021000 0.7207000 
1 1 1    1    5   27 o   6.0200   0.5125   6.0860   0.6678   5.9540   0.7777 0.1313000 1.025000 
1 1 1    1    5   28 o   9.8790   0.3377   9.8590   0.4390   9.8990   0.5131 -0.4022000E-01 0.6753000 
1 1 1    1    5   29 o   5.0070   0.7590   4.4920   1.2210   5.5230   0.9024 -1.031000 1.518000 
1 1 1    1    5   30 o   6.6220   0.5109   5.8190   0.7585   7.4250   0.6846 -1.606000 1.022000 
1 1 1    1    5   31 o   6.6770   0.5178   6.3040   0.7329   7.0490   0.7317 -0.7446000 1.036000 
1 1 1    1    5   32 o   2.5360   0.7482   2.0720   0.9518   3.0010   1.1550 -0.9288000 1.496000 
1 1 1    1    5   33 o   2.1300   0.7089   2.1750   1.0020   2.0860   1.0030 0.8814000E-01 1.418000 
1 1 1    1    7    0 o   71.360   0.3588   70.890   0.5043   71.820   0.5107 -0.9276000 0.7177000 
1 1 1    1    7    1 o   29.950   0.1802   30.070   0.2726   29.830   0.2357 0.2425000 0.3603000 
1 1 1    1    7    2 o   55.390   0.2823   55.260   0.3981   55.510   0.4003 -0.2494000 0.5646000 
1 1 1    1    7    3 o   40.500   0.2305   40.590   0.3487   40.410   0.3015 0.1774000 0.4610000 
1 1 1    1    7    4 o   79.650   0.5668   80.310   0.8079   79.000   0.7951 1.310000 1.134000 
1 1 1    1    7    5 o   66.680   0.5860   66.790   0.6773   66.570   0.9564 0.2178000 1.172000 
1 1 1    1    7    6 o   34.710   0.2448   35.010   0.3127   34.420   0.3767 0.5854000 0.4895000 
1 1 1    1    7    7 o   29.020   0.1958   28.620   0.2731   29.420   0.2808 -0.8090000 0.3917000 
1 1 1    1    7    8 o   38.930   0.2435   38.770   0.3434   39.090   0.3454 -0.3213000 0.4871000 
1 1 1    1    7    9 o   20.860   0.1764   20.580   0.2499   21.140   0.2489 -0.5552000 0.3527000 
1 1 1    1    7   10 o   15.910   0.1820   15.630   0.2617   16.200   0.2530 -0.5785000 0.3640000 
1 1 1    1    7   11 o   14.900   0.2073   14.930   0.2723   14.880   0.3127 0.4711000E-01 0.4147000 
1 1 1    1    7   12 o   25.960   0.1959   25.930   0.2773   25.990   0.2767 -0.6831000E-01 0.3917000 
1 1 1    1    7   13 o   58.350   0.3499   58.350   0.4953   58.350   0.4943 0.2190000E-02 0.6998000 
1 1 1    1    7   14 o   56.470   0.3421   56.640   0.4859   56.300   0.4817 0.3362000 0.6842000 
1 1 1    1    7   15 o   31.510   0.2833   31.230   0.4000   31.790   0.4012 -0.5640000 0.5666000 
1 1 1    1    7   16 o   21.660   0.2393   21.390   0.3696   21.940   0.3041 -0.5426000 0.4787000 
1 1 1    1    7   17 o   15.160   0.2942   14.690   0.3838   15.640   0.4458 -0.9445000 0.5883000 
1 1 1    1    7   18 o   15.360   0.2753   15.190   0.3953   15.530   0.3833 -0.3393000 0.5506000 
1 1 1    1    7   19 o   11.800   0.3203   11.590   0.4634   12.020   0.4424 -0.4339000 0.6407000 
1 1 1    1    7   20 o   8.3680   0.5092   8.6270   0.7304   8.1090   0.7098 0.5182000 1.018000 
1 1 1    1    7   21 o   9.7980   0.3808   9.7430   0.4936   9.8530   0.5801 -0.1099000 0.7616000 
1 1 1    1    7   22 o   7.2910   0.4197   7.1000   0.5765   7.4820   0.6102 -0.3821000 0.8395000 
1 1 1    1    7   23 o   10.150   0.3169   10.230   0.4141   10.070   0.4798 0.1674000 0.6338000 
1 1 1    1    7   24 o   2.9850   0.7120   2.0100   0.9033   3.9610   1.1010 -1.951000 1.424000 
1 1 1    1    7   25 o   10.970   0.2972   10.690   0.3924   11.250   0.4464 -0.5619000 0.5944000 
1 1 1    1    7   26 o   2.2480   0.6800   2.5220   1.0030   1.9750   0.9184 0.5464000 1.360000 
1 1 1    1    7   27 o   3.0410   0.7550   3.1420   1.0340   2.9390   1.1000 0.2023000 1.510000 
1 1 1    1    7   28 o   5.0120   0.7977   6.0800   0.9435   3.9450   1.2860 2.134000 1.595000 
1 1 1    1    7   29 o   3.1860   0.7295   3.9990   1.0250   2.3720   1.0380 1.627000 1.459000 
1 1 1    1    7   30 o   3.1030   0.7634   2.3360   1.0070   3.8690   1.1480 -1.533000 1.527000 
1 1 1    1    7   31 o   3.1080   0.7762   3.5870   1.0980   2.6290   1.0970 0.9574000 1.552000 
1 1 1    1    7   32 o   2.5170   0.8203   2.7710   1.2190   2.2630   1.0980 0.5075000 1.641000 
1 1 1    1    9    0 o   41.010   0.2828   41.450   0.4406   40.570   0.3547 0.8827000 0.5657000 
1 1 1    1    9    1 o   51.910   0.3102   52.060   0.4396   51.760   0.4378 0.3044000 0.6205000 
1 1 1    1    9    2 o   26.230   0.1740   26.120   0.2270   26.350   0.2637 -0.2254000 0.3479000 
1 1 1    1    9    3 o   23.800   0.1659   23.950   0.2505   23.650   0.2175 0.2913000 0.3318000 
1 1 1    1    9    4 o   13.950   0.1648   14.300   0.2462   13.610   0.2192 0.6972000 0.3297000 
1 1 1    1    9    5 o   26.690   0.2132   26.060   0.3266   27.310   0.2741 -1.246000 0.4264000 
1 1 1    1    9    6 o   38.660   0.2443   38.400   0.3430   38.910   0.3478 -0.5088000 0.4885000 
1 1 1    1    9    7 o   25.280   0.1890   25.220   0.2667   25.340   0.2679 -0.1214000 0.3780000 
1 1 1    1    9    8 o   33.360   0.2221   33.590   0.3153   33.130   0.3128 0.4593000 0.4441000 
1 1 1    1    9    9 o   23.180   0.1895   23.230   0.2674   23.130   0.2686 0.9603000E-01 0.3790000 
1 1 1    1    9   10 o   23.730   0.1922   23.790   0.2727   23.680   0.2710 0.1103000 0.3845000 
1 1 1    1    9   11 f   16.470   0.1965   16.560   0.2783   16.370   0.2774 0.1941000 0.3930000 
1 1 1    1    9   12 o   34.640   0.2345   34.530   0.3316   34.750   0.3317 -0.2241000 0.4691000 
1 1 1    1    9   13 o   38.270   0.2542   38.280   0.3612   38.270   0.3578 0.1870000E-01 0.5084000 
1 1 1    1    9   14 o   76.120   0.6774   76.090   1.1070   76.140   0.7813 -0.4980000E-01 1.355000 
1 1 1    1    9   15 o   16.860   0.2587   16.620   0.4023   17.090   0.3254 -0.4657000 0.5174000 
1 1 1    1    9   16 o   21.020   0.2311   21.290   0.3277   20.740   0.3259 0.5522000 0.4621000 
1 1 1    1    9   17 o   27.570   0.2348   27.760   0.3334   27.390   0.3306 0.3658000 0.4695000 
1 1 1    1    9   18 o   13.790   0.2883   13.660   0.4143   13.920   0.4011 -0.2587000 0.5767000 
1 1 1    1    9   19 o   3.4440   0.8901   3.3200   1.2700   3.5690   1.2470 -0.2492000 1.780000 
1 1 1    1    9   20 o   21.970   0.2567   22.220   0.3270   21.720   0.3957 0.4933000 0.5133000 
1 1 1    1    9   21 o   5.1690   0.6420   4.6140   0.9965   5.7240   0.8099 -1.110000 1.284000 
1 1 1    1    9   22 o   10.400   0.3298   11.070   0.4433   9.7260   0.4883 1.343000 0.6595000 
1 1 1    1    9   23 o   2.2930   0.7047   2.4320   1.0250   2.1540   0.9675 0.2775000 1.409000 
1 1 1    1    9   24 o   11.350   0.3134   10.930   0.4569   11.760   0.4291 -0.8292000 0.6268000 
1 1 1    1    9   25 f   8.1840   0.4125   8.3590   0.5684   8.0100   0.5980 0.3492000 0.8250000 
1 1 1    1    9   26 o   6.4950   0.4774   6.1050   0.6675   6.8850   0.6826 -0.7793000 0.9547000 
1 1 1    1    9   27 o   6.1580   0.6446   6.4600   0.7365   5.8560   1.0580 0.6037000 1.289000 
1 1 1    1    9   28 o   5.5070   0.6335   4.8480   0.9914   6.1660   0.7890 -1.318000 1.267000 
1 1 1    1    9   29 o   4.7150   0.7181   4.8760   0.9455   4.5530   1.0810 0.3225000 1.436000 
1 1 1    1    9   30 o   2.1230   0.6851   2.0310   0.9347   2.2140   1.0020 -0.1832000 1.370000 
1 1 1    1    9   31 o   2.7430   0.7603   1.6840   0.8356   3.8010   1.2700 -2.118000 1.521000 
1 1 1    1    9   32 o   2.9070   0.8455   3.0510   1.1850   2.7630   1.2060 0.2883000 1.691000 
1 1 1    1   11    0 o   37.730   0.2089   37.680   0.2947   37.780   0.2962 -0.1033000 0.4179000 
1 1 1    1   11    1 o   21.760   0.1714   22.100   0.2593   21.430   0.2243 0.6765000 0.3428000 
1 1 1    1   11    2 o   30.540   0.1818   30.480   0.2561   30.600   0.2580 -0.1217000 0.3635000 
1 1 1    1   11    3 o   28.310   0.1888   28.060   0.2454   28.550   0.2871 -0.4874000 0.3777000 
1 1 1    1   11    4 o   5.4700   0.3674   5.7260   0.5326   5.2130   0.5063 0.5126000 0.7348000 
1 1 1    1   11    5 o   5.6730   0.3899   4.9990   0.6466   6.3470   0.4358 -1.348000 0.7798000 
1 1 1    1   11    6 o   11.880   0.2176   11.860   0.3065   11.900   0.3090 -0.3948000E-01 0.4352000 
1 1 1    1   11    7 o   20.510   0.1911   20.500   0.2689   20.530   0.2717 -0.2496000E-01 0.3822000 
1 1 1    1   11    8 o   38.320   0.2491   38.210   0.3512   38.420   0.3533 -0.2074000 0.4982000 
1 1 1    1   11    9 o   20.090   0.2200   19.470   0.2779   20.710   0.3413 -1.239000 0.4401000 
1 1 1    1   11   10 o   9.6260   0.3275   10.310   0.4877   8.9410   0.4374 1.371000 0.6550000 
1 1 1    1   11   11 o   42.600   0.2741   42.470   0.3867   42.730   0.3886 -0.2546000 0.5482000 
1 1 1    1   11   12 o   48.320   0.5258  ?   ?    48.320   0.5258      ?      ? 
1 1 1    1   11   13 o   31.230   0.3220   31.860   0.5544   30.610   0.3276 1.246000 0.6439000 
1 1 1    1   11   14 o   10.690   0.3177   10.440   0.4559   10.940   0.4426 -0.5014000 0.6355000 
1 1 1    1   11   15 o   14.190   0.2769   14.570   0.3874   13.820   0.3957 0.7514000 0.5538000 
1 1 1    1   11   16 o   23.690   0.2338   23.860   0.3349   23.530   0.3263 0.3302000 0.4676000 
1 1 1    1   11   17 o   5.5790   0.6332   5.4010   0.9349   5.7560   0.8541 -0.3543000 1.266000 
1 1 1    1   11   18 o   19.830   0.3510   20.110   0.4419   19.560   0.5454 0.5547000 0.7019000 
1 1 1    1   11   19 o   19.510   0.2624   19.780   0.3402   19.240   0.3996 0.5401000 0.5248000 
1 1 1    1   11   20 f   11.580   0.3099   11.650   0.4386   11.520   0.4378 0.1305000 0.6197000 
1 1 1    1   11   21 o   8.0580   0.4159   8.1840   0.5840   7.9320   0.5925 0.2525000 0.8319000 
1 1 1    1   11   22 o   7.3320   0.4478   7.9120   0.5735   6.7510   0.6878 1.161000 0.8955000 
1 1 1    1   11   23 o   5.0590   0.6365   5.2950   0.8343   4.8240   0.9615 0.4710000 1.273000 
1 1 1    1   11   24 o   10.030   0.3393   10.210   0.4734   9.8580   0.4861 0.3487000 0.6785000 
1 1 1    1   11   25 o   7.8400   0.4199   7.6830   0.6065   7.9960   0.5807 -0.3131000 0.8397000 
1 1 1    1   11   26 o   4.8750   0.7928   3.6890   1.2230   6.0620   1.0090 -2.373000 1.586000 
1 1 1    1   11   27 o   4.0330   0.8193   3.8790   1.2230   4.1870   1.0910 -0.3080000 1.639000 
1 1 1    1   11   28 o   4.6070   0.7453   3.6070   1.1900   5.6060   0.8974 -1.999000 1.491000 
1 1 1    1   11   29 o   2.5940   0.7548   2.2540   0.9901   2.9330   1.1390 -0.6782000 1.510000 
1 1 1    1   11   30 o   4.1350   0.7623   3.2240   1.1280   5.0450   1.0250 -1.822000 1.525000 
1 1 1    1   11   31 o   2.6880   0.8424   3.2020   1.3070   2.1730   1.0630 1.029000 1.685000 
1 1 1    1   13    0 o   13.530   0.1883   13.550   0.2651   13.500   0.2675 0.5234000E-01 0.3766000 
1 1 1    1   13    1 o   15.650   0.1910   15.680   0.2868   15.610   0.2522 0.7011000E-01 0.3819000 
1 1 1    1   13    2 o   22.570   0.1705   22.820   0.2398   22.320   0.2425 0.5005000 0.3410000 
1 1 1    1   13    3 o   16.030   0.1782   15.850   0.2501   16.220   0.2538 -0.3659000 0.3563000 
1 1 1    1   13    4 o   24.660   0.2009   24.450   0.2814   24.870   0.2869 -0.4272000 0.4018000 
1 1 1    1   13    5 f   35.130   0.2222   35.320   0.3368   34.940   0.2901 0.3840000 0.4445000 
1 1 1    1   13    6 o   32.300   0.2124   32.400   0.3207   32.200   0.2784 0.1985000 0.4247000 
1 1 1    1   13    7 o   16.270   0.1982   16.240   0.2979   16.300   0.2617 -0.6108000E-01 0.3965000 
1 1 1    1   13    8 o   57.580   0.3495   57.870   0.4966   57.290   0.4920 0.5812000 0.6990000 
1 1 1    1   13    9 o   36.020   0.3053   36.340   0.4325   35.710   0.4310 0.6345000 0.6106000 
1 1 1    1   13   10 o   20.570   0.3179   19.480   0.5016   21.650   0.3906 -2.168000 0.6358000 
1 1 1    1   13   11 o   32.620   0.2634   32.530   0.4034   32.720   0.3387 -0.1918000 0.5267000 
1 1 1    1   13   12 o   19.960   0.2305   20.060   0.3216   19.860   0.3302 0.1930000 0.4609000 
1 1 1    1   13   13 o   38.360   0.2651   38.100   0.3736   38.630   0.3762 -0.5366000 0.5302000 
1 1 1    1   13   14 o   10.400   0.3460   10.500   0.4883   10.290   0.4903 0.2107000 0.6920000 
1 1 1    1   13   15 o   8.7310   0.4030   8.8170   0.5607   8.6450   0.5791 0.1722000 0.8061000 
1 1 1    1   13   16 o   20.560   0.4250   20.560   0.4250  ?   ?       ?      ? 
1 1 1    1   13   17 o   3.8130   0.8839   2.3240   1.0800   5.3010   1.4000 -2.977000 1.768000 
1 1 1    1   13   18 o   11.800   0.3040   12.000   0.4204   11.600   0.4392 0.4029000 0.6080000 
1 1 1    1   13   19 o   9.5070   0.3596   9.1300   0.5235   9.8840   0.4932 -0.7545000 0.7192000 
1 1 1    1   13   20 o   5.5510   0.6013   5.6770   0.8291   5.4260   0.8710 0.2516000 1.203000 
1 1 1    1   13   21 o   9.1060   0.3768   9.0420   0.5368   9.1710   0.5288 -0.1293000 0.7535000 
1 1 1    1   13   22 o   1.9830   0.6455   1.6770   0.8180   2.2890   0.9989 -0.6115000 1.291000 
1 1 1    1   13   23 o   9.9240   0.3539   9.4210   0.5344   10.430   0.4642 -1.007000 0.7079000 
1 1 1    1   13   24 o   7.7350   0.4385   8.6110   0.5709   6.8580   0.6657 1.753000 0.8770000 
1 1 1    1   13   25 o   2.8770   0.8049   3.6570   1.2590   2.0980   1.0030 1.559000 1.610000 
1 1 1    1   13   26 o   8.9460   0.4162   9.0030   0.6194   8.8890   0.5561 0.1133000 0.8324000 
1 1 1    1   13   27 o   3.3570   0.8187   3.4150   1.1600   3.2990   1.1560 0.1163000 1.637000 
1 1 1    1   13   28 o   2.6680   0.7811   2.6760   1.1170   2.6610   1.0930 0.1508000E-01 1.562000 
1 1 1    1   13   29 o   2.3590   0.7354   2.6480   1.1130   2.0690   0.9618 0.5790000 1.471000 
1 1 1    1   13   30 o   2.5500   0.8337   2.6700   1.2000   2.4290   1.1580 0.2408000 1.667000 
1 1 1    1   15    0 o   25.690   0.1841   25.720   0.2601   25.670   0.2605 0.5132000E-01 0.3681000 
1 1 1    1   15    1 o   38.230   0.2208   38.420   0.3127   38.050   0.3119 0.3691000 0.4416000 
1 1 1    1   15    2 o   34.720   0.2090   35.010   0.2969   34.430   0.2942 0.5863000 0.4180000 
1 1 1    1   15    3 o   13.390   0.2131   13.310   0.3039   13.470   0.2990 -0.1593000 0.4263000 
1 1 1    1   15    4 o   30.000   0.2108   30.100   0.3185   29.900   0.2762 0.1926000 0.4216000 
1 1 1    1   15    5 o   37.220   0.3761   36.740   0.6089   37.700   0.4417 -0.9547000 0.7522000 
1 1 1    1   15    6 o   29.280   0.3353   29.120   0.5402   29.450   0.3973 -0.3255000 0.6706000 
1 1 1    1   15    7 o   32.490   0.3525   32.200   0.5688   32.770   0.4167 -0.5780000 0.7051000 
1 1 1    1   15    8 o   5.5230   0.5352   5.0810   0.8580   5.9650   0.6401 -0.8839000 1.070000 
1 1 1    1   15    9 o   18.290   0.2300   18.390   0.3254   18.200   0.3251 0.1895000 0.4600000 
1 1 1    1   15   10 o   7.0730   0.4898   7.9990   0.5877   6.1470   0.7838 1.851000 0.9796000 
1 1 1    1   15   11 o   7.4870   0.4637   7.5810   0.6425   7.3920   0.6689 0.1893000 0.9275000 
1 1 1    1   15   12 o   20.420   0.2385   20.470   0.3352   20.370   0.3394 0.1003000 0.4770000 
1 1 1    1   15   13 o   13.060   0.2975   12.660   0.4202   13.460   0.4211 -0.8089000 0.5949000 
1 1 1    1   15   14 o   11.330   0.4251   11.260   0.5995   11.390   0.6028 -0.1248000 0.8501000 
1 1 1    1   15   15 f   23.130   0.3160   22.910   0.3399   23.350   0.5328 -0.4466000 0.6320000 
1 1 1    1   15   16 o   12.060   0.3060   12.270   0.4316   11.860   0.4338 0.4071000 0.6119000 
1 1 1    1   15   17 o   3.1410   0.7442   3.9590   1.0870   2.3240   1.0170 1.635000 1.488000 
1 1 1    1   15   18 o   15.200   0.2606   14.940   0.3711   15.460   0.3659 -0.5274000 0.5211000 
1 1 1    1   15   19 o   4.5600   0.7073   4.2850   1.0390   4.8360   0.9601 -0.5506000 1.415000 
1 1 1    1   15   20 f   11.000   0.3210   11.340   0.4484   10.660   0.4595 0.6807000 0.6420000 
1 1 1    1   15   21 o   5.2220   0.6291   5.7880   0.7973   4.6570   0.9734 1.131000 1.258000 
1 1 1    1   15   22 o   14.390   0.2760   14.560   0.3946   14.220   0.3860 0.3338000 0.5520000 
1 1 1    1   15   23 o   12.370   0.3017   13.070   0.4123   11.670   0.4405 1.398000 0.6033000 
1 1 1    1   15   24 o   3.2850   0.8793   3.5180   1.2390   3.0530   1.2480 0.4659000 1.759000 
1 1 1    1   15   25 o   4.3180   0.7971   4.4500   1.1670   4.1860   1.0860 0.2644000 1.594000 
1 1 1    1   15   26 o   2.5500   0.7309   1.9670   0.9292   3.1330   1.1280 -1.167000 1.462000 
1 1 1    1   15   27 o   2.0240   0.6664   1.8830   0.9003   2.1650   0.9827 -0.2816000 1.333000 
1 1 1    1   15   28 o   3.6220   0.9139   4.2590   1.3660   2.9840   1.2140 1.275000 1.828000 
1 1 1    1   15   29 o   3.3630   0.8800   3.1060   1.1940   3.6200   1.2930 -0.5144000 1.760000 
1 1 1    1   17    0 o   13.290   0.2365   13.540   0.3250   13.030   0.3437 0.5142000 0.4730000 
1 1 1    1   17    1 o   23.330   0.1941   23.400   0.2742   23.260   0.2747 0.1373000 0.3882000 
1 1 1    1   17    2 o   23.070   0.1940   23.230   0.2743   22.920   0.2744 0.3055000 0.3880000 
1 1 1    1   17    3 o   10.510   0.2838   10.420   0.4028   10.590   0.3999 -0.1677000 0.5675000 
1 1 1    1   17    4 o   52.240   0.2843   52.300   0.4021   52.170   0.4019 0.1242000 0.5685000 
1 1 1    1   17    5 o   36.170   0.2416   36.120   0.3654   36.230   0.3161 -0.1126000 0.4832000 
1 1 1    1   17    6 o   10.840   0.3108   10.390   0.4811   11.280   0.3937 -0.8931000 0.6217000 
1 1 1    1   17    7 o   6.6020   0.4770   6.4700   0.7171   6.7330   0.6292 -0.2633000 0.9540000 
1 1 1    1   17    8 o   18.930   0.2240   19.110   0.3360   18.760   0.2963 0.3473000 0.4480000 
1 1 1    1   17    9 o   16.900   0.2363   17.040   0.3530   16.750   0.3143 0.2942000 0.4726000 
1 1 1    1   17   10 o   9.7610   0.3329   9.8180   0.4911   9.7030   0.4496 0.1147000 0.6659000 
1 1 1    1   17   11 o   8.4750   0.5179   8.5640   0.7517   8.3850   0.7126 0.1791000 1.036000 
1 1 1    1   17   12 o   18.810   0.3565   18.230   0.4476   19.390   0.5548 -1.166000 0.7129000 
1 1 1    1   17   13 o   21.670   0.2654   21.500   0.3389   21.840   0.4086 -0.3432000 0.5308000 
1 1 1    1   17   14 o   17.330   0.2590   17.290   0.3581   17.360   0.3744 -0.7560000E-01 0.5181000 
1 1 1    1   17   15 o   17.820   0.2539   17.370   0.3597   18.270   0.3586 -0.9074000 0.5079000 
1 1 1    1   17   16 o   9.7420   0.3613   10.150   0.4927   9.3320   0.5285 0.8187000 0.7226000 
1 1 1    1   17   17 o   14.230   0.2716   14.280   0.3818   14.180   0.3863 0.9166000E-01 0.5431000 
1 1 1    1   17   18 o   2.9260   0.7183   3.8010   1.0850   2.0510   0.9420 1.750000 1.437000 
1 1 1    1   17   19 o   4.3200   0.7285   4.0800   1.0380   4.5590   1.0220 -0.4790000 1.457000 
1 1 1    1   17   20 o   14.460   0.2741   14.190   0.3876   14.740   0.3875 -0.5490000 0.5481000 
1 1 1    1   17   21 o   9.7520   0.3586   9.4010   0.5338   10.100   0.4791 -0.7022000 0.7173000 
1 1 1    1   17   22 o   6.2520   0.6900   6.1460   0.9337   6.3580   1.0160 -0.2124000 1.380000 
1 1 1    1   17   23 o   7.6820   0.4889   8.4970   0.6710   6.8670   0.7112 1.631000 0.9778000 
1 1 1    1   17   24 o   2.2450   0.7086   2.1970   0.9959   2.2940   1.0080 -0.9742000E-01 1.417000 
1 1 1    1   17   25 o   2.8290   0.7880   3.2040   1.1690   2.4530   1.0570 0.7509000 1.576000 
1 1 1    1   17   26 o   2.7470   0.7907   2.6740   1.1110   2.8200   1.1250 -0.1460000 1.581000 
1 1 1    1   17   27 o   3.5330   0.9296   3.6020   1.3520   3.4640   1.2760 0.1378000 1.859000 
1 1 1    1   17   28 o   3.6000   0.8412   4.2230   1.1510   2.9760   1.2270 1.247000 1.682000 
1 1 1    1   19    0 o   5.6220   0.5301   5.8730   0.7027   5.3700   0.7940 0.5025000 1.060000 
1 1 1    1   19    1 o   21.460   0.2045   21.630   0.2870   21.290   0.2913 0.3448000 0.4090000 
1 1 1    1   19    2 o   3.3290   0.7400   3.7540   1.0330   2.9030   1.0590 0.8510000 1.480000 
1 1 1    1   19    3 o   21.750   0.2038   21.700   0.2867   21.810   0.2897 -0.1086000 0.4076000 
1 1 1    1   19    4 o   12.100   0.2688   12.170   0.3775   12.030   0.3828 0.1436000 0.5376000 
1 1 1    1   19    5 o   31.130   0.2294   30.930   0.3450   31.340   0.3025 -0.4125000 0.4588000 
1 1 1    1   19    6 o   14.420   0.3251   15.350   0.5013   13.490   0.4141 1.863000 0.6502000 
1 1 1    1   19    7 o   8.0080   0.5577   8.3300   0.8111   7.6850   0.7658 0.6450000 1.115000 
1 1 1    1   19    8 o   7.6080   0.5684   7.2520   0.8760   7.9640   0.7245 -0.7118000 1.137000 
1 1 1    1   19    9 o   2.9480   0.7787   3.2410   1.1230   2.6550   1.0790 0.5865000 1.557000 
1 1 1    1   19   10 o   31.400   0.2316   31.410   0.3487   31.380   0.3049 0.3794000E-01 0.4632000 
1 1 1    1   19   11 o   19.520   0.2618   20.040   0.4268   18.990   0.3034 1.049000 0.5237000 
1 1 1    1   19   12 o   18.320   0.2335   18.240   0.3478   18.410   0.3116 -0.1694000 0.4670000 
1 1 1    1   19   13 o   14.810   0.2714   14.600   0.3879   15.030   0.3796 -0.4239000 0.5427000 
1 1 1    1   19   14 o   4.4400   0.7380   4.8560   0.9691   4.0240   1.1130 0.8323000 1.476000 
1 1 1    1   19   15 o   3.4380   0.8086   3.5680   1.1060   3.3090   1.1790 0.2590000 1.617000 
1 1 1    1   19   16 o   13.890   0.2855   13.630   0.3925   14.160   0.4146 -0.5292000 0.5709000 
1 1 1    1   19   17 o   5.2740   0.6473   4.6960   0.9818   5.8520   0.8439 -1.156000 1.295000 
1 1 1    1   19   18 o   6.8580   0.5050   7.9650   0.6009   5.7520   0.8117 2.213000 1.010000 
1 1 1    1   19   19 o   13.970   0.2803   14.260   0.3942   13.680   0.3986 0.5826000 0.5606000 
1 1 1    1   19   20 o   4.2630   0.8806   4.0060   1.2330   4.5200   1.2570 -0.5133000 1.761000 
1 1 1    1   19   21 o   3.5230   0.8948   4.6170   1.4460   2.4290   1.0540 2.187000 1.790000 
1 1 1    1   19   22 f   4.0140   0.8149   4.7380   1.1560   3.2900   1.1490 1.449000 1.630000 
1 1 1    1   19   23 f   3.2230   0.8134   2.9760   1.1630   3.4710   1.1380 -0.4952000 1.627000 
1 1 1    1   19   24 o   2.3860   0.7358   2.5550   1.0800   2.2170   0.9996 0.3376000 1.472000 
1 1 1    1   19   25 o   3.2780   0.9039   3.3620   1.3200   3.1930   1.2350 0.1697000 1.808000 
1 1 1    1   19   26 o   2.5080   0.8037   2.9730   1.2510   2.0430   1.0100 0.9305000 1.607000 
1 1 1    1   21    0 o   7.5830   0.4014   8.2340   0.5232   6.9320   0.6089 1.302000 0.8028000 
1 1 1    1   21    1 o   12.290   0.2709   11.880   0.3920   12.700   0.3741 -0.8181000 0.5418000 
1 1 1    1   21    2 o   4.2320   0.6880   4.5430   0.9118   3.9200   1.0300 0.6230000 1.376000 
1 1 1    1   21    3 o   3.9070   0.7083   4.2240   0.9592   3.5890   1.0420 0.6347000 1.417000 
1 1 1    1   21    4 o   19.200   0.2106   19.110   0.2975   19.280   0.2982 -0.1719000 0.4212000 
1 1 1    1   21    5 o   19.520   0.2270   19.930   0.3406   19.100   0.3001 0.8386000 0.4539000 
1 1 1    1   21    6 o   12.180   0.2921   12.110   0.4470   12.260   0.3761 -0.1550000 0.5842000 
1 1 1    1   21    7 o   12.570   0.2935   12.250   0.4531   12.880   0.3733 -0.6302000 0.5871000 
1 1 1    1   21    8 o   10.170   0.3300   10.080   0.4999   10.260   0.4311 -0.1775000 0.6601000 
1 1 1    1   21    9 o   3.1570   0.7745   3.1110   1.1220   3.2020   1.0680 -0.9108000E-01 1.549000 
1 1 1    1   21   10 o   6.1670   0.5000   6.3400   0.7275   5.9930   0.6861 0.3466000 1.000000 
1 1 1    1   21   11 o   5.4590   0.5737   5.3740   0.8651   5.5440   0.7537 -0.1691000 1.147000 
1 1 1    1   21   12 o   4.8350   0.6483   5.4800   0.8545   4.1890   0.9752 1.291000 1.297000 
1 1 1    1   21   13 o   4.0670   0.7142   4.4990   0.9966   3.6350   1.0230 0.8641000 1.428000 
1 1 1    1   21   14 o   5.3570   0.6139   5.2310   0.8742   5.4840   0.8620 -0.2539000 1.228000 
1 1 1    1   21   15 o   3.4790   0.7841   3.9510   1.1040   3.0060   1.1140 0.9447000 1.568000 
1 1 1    1   21   16 o   9.6350   0.3740   9.5110   0.5156   9.7580   0.5419 -0.2469000 0.7479000 
1 1 1    1   21   17 o   10.190   0.3669   10.500   0.4797   9.8750   0.5554 0.6297000 0.7339000 
1 1 1    1   21   18 o   5.4170   0.8398   5.0970   1.1200   5.7380   1.2510 -0.6411000 1.680000 
1 1 1    1   21   19 o   8.4590   0.4629   9.0330   0.6594   7.8840   0.6498 1.149000 0.9258000 
1 1 1    1   21   20 o   6.2060   0.5869   6.1160   0.8318   6.2970   0.8282 -0.1812000 1.174000 
1 1 1    1   21   21 o   7.1320   0.5093   6.9980   0.7030   7.2650   0.7370 -0.2677000 1.019000 
1 1 1    1   21   22 f   2.0820   0.6778   2.3050   1.0200   1.8590   0.8932 0.4458000 1.356000 
1 1 1    1   21   23 o   4.9620   0.8438   3.6470   1.3400   6.2760   1.0250 -2.629000 1.688000 
1 1 1    1   21   24 o   3.7120   0.9269   3.3810   1.3200   4.0430   1.3020 -0.6626000 1.854000 
1 1 1    1   21   25 o   1.6830   0.5964   1.7410   0.8709   1.6250   0.8150 0.1160000 1.193000 
1 1 1    1   23    0 o   6.4210   0.4565   6.7480   0.6022   6.0930   0.6863 0.6549000 0.9131000 
1 1 1    1   23    1 o   10.600   0.2971   10.410   0.4262   10.780   0.4142 -0.3662000 0.5943000 
1 1 1    1   23    2 o   16.140   0.2261   16.290   0.3183   15.990   0.3212 0.3053000 0.4522000 
1 1 1    1   23    3 o   6.3580   0.4671   6.2190   0.6728   6.4980   0.6481 -0.2792000 0.9341000 
1 1 1    1   23    4 o   4.3410   0.6538   5.4430   0.7561   3.2400   1.0670 2.203000 1.308000 
1 1 1    1   23    5 o   14.830   0.2559   14.860   0.3835   14.810   0.3389 0.5340000E-01 0.5118000 
1 1 1    1   23    6 o   10.790   0.3567   11.110   0.5731   10.480   0.4248 0.6283000 0.7133000 
1 1 1    1   23    7 o   6.5360   0.4918   6.9660   0.7052   6.1050   0.6855 0.8613000 0.9835000 
1 1 1    1   23    8 o   7.9920   0.4111   7.9650   0.6252   8.0180   0.5338 -0.5287000E-01 0.8221000 
1 1 1    1   23    9 o   5.1590   0.6017   5.1950   0.9054   5.1230   0.7926 0.7219000E-01 1.203000 
1 1 1    1   23   10 o   10.940   0.3050   11.020   0.4579   10.860   0.4030 0.1574000 0.6100000 
1 1 1    1   23   11 o   7.3580   0.4237   7.6560   0.6177   7.0610   0.5801 0.5949000 0.8474000 
1 1 1    1   23   12 f   5.4030   0.5834   5.4810   0.8778   5.3240   0.7685 0.1565000 1.167000 
1 1 1    1   23   13 o   3.6960   0.7103   2.8470   1.1060   4.5450   0.8914 -1.698000 1.421000 
1 1 1    1   23   14 o   8.4470   0.4143   7.6420   0.6149   9.2510   0.5554 -1.609000 0.8286000 
1 1 1    1   23   15 o   2.5980   0.7764   3.0330   1.1930   2.1630   0.9945 0.8696000 1.553000 
1 1 1    1   23   16 o   4.4170   0.7840   4.7500   1.1370   4.0850   1.0790 0.6650000 1.568000 
1 1 1    1   23   17 o   7.2990   0.4913   7.4030   0.6614   7.1960   0.7266 0.2073000 0.9826000 
1 1 1    1   23   18 o   6.2850   0.5803   6.2310   0.7918   6.3380   0.8486 -0.1075000 1.161000 
1 1 1    1   23   19 o   2.9170   0.8166   2.7300   1.1180   3.1040   1.1900 -0.3739000 1.633000 
1 1 1    1   23   20 o   3.6540   0.7799   2.6130   1.1050   4.6950   1.1010 -2.082000 1.560000 
1 1 1    1   23   21 o   3.5600   0.9172   3.1980   1.2940   3.9230   1.3010 -0.7248000 1.834000 
1 1 1    1   23   22 o   2.2360   0.7498   2.1860   1.0050   2.2850   1.1130 -0.9921000E-01 1.500000 
1 1 1    1   23   23 o   2.9190   0.9248   2.6480   1.1970   3.1900   1.4100 -0.5422000 1.850000 
1 1 1    1   25    0 o   10.450   0.2957   10.410   0.4132   10.480   0.4231 -0.6901000E-01 0.5913000 
1 1 1    1   25    1 o   6.5890   0.4540   7.0440   0.5997   6.1350   0.6818 0.9088000 0.9080000 
1 1 1    1   25    2 o   4.4650   0.6499   4.0280   0.9825   4.9010   0.8509 -0.8729000 1.300000 
1 1 1    1   25    3 o   2.4890   0.6900   3.0180   1.0470   1.9600   0.8984 1.057000 1.380000 
1 1 1    1   25    4 o   15.480   0.2373   15.580   0.3355   15.380   0.3358 0.2020000 0.4746000 
1 1 1    1   25    5 o   7.5550   0.4303   7.4710   0.6562   7.6390   0.5567 -0.1683000 0.8605000 
1 1 1    1   25    6 o   12.050   0.2952   12.300   0.4466   11.790   0.3860 0.5045000 0.5903000 
1 1 1    1   25    7 o   11.110   0.3120   11.000   0.4815   11.210   0.3969 -0.2147000 0.6240000 
1 1 1    1   25    8 o   6.6340   0.4717   7.4100   0.6469   5.8580   0.6868 1.552000 0.9435000 
1 1 1    1   25    9 o   2.3310   0.7049   2.5580   1.0610   2.1040   0.9280 0.4536000 1.410000 
1 1 1    1   25   10 o   4.9890   0.7599   5.7490   1.0320   4.2290   1.1160 1.520000 1.520000 
1 1 1    1   25   11 o   6.5700   0.7641   7.0350   1.1130   6.1050   1.0470 0.9297000 1.528000 
1 1 1    1   25   12 o   3.1350   0.8232   2.9530   1.1930   3.3170   1.1340 -0.3648000 1.646000 
1 1 1    1   25   13 o   4.9960   0.7524   5.0260   1.1360   4.9650   0.9867 0.6092000E-01 1.505000 
1 1 1    1   25   14 o   2.8130   0.7695   2.7700   1.1020   2.8560   1.0740 -0.8656000E-01 1.539000 
1 1 1    1   25   15 o   2.4500   0.7096   3.1070   1.1340   1.7920   0.8538 1.315000 1.419000 
1 1 1    1   25   16 o   6.6650   0.4986   6.8730   0.7132   6.4580   0.6969 0.4149000 0.9972000 
1 1 1    1   25   17 o   6.2570   0.5447   6.1750   0.8120   6.3400   0.7264 -0.1651000 1.089000 
1 1 1    1   25   18 o   2.3240   0.7458   1.9960   0.9729   2.6520   1.1310 -0.6557000 1.492000 
1 1 1    1   25   19 o   7.0770   0.7255   8.2700   0.8391   5.8840   1.1840 2.386000 1.451000 
1 1 1    1   25   20 o   6.4460   0.6320   6.9000   0.7646   5.9920   1.0070 0.9083000 1.264000 
1 1 1    1   27    0 f   4.4400   0.8080   5.7230   1.0130   3.1570   1.2590 2.566000 1.616000 
1 1 1    1   27    1 o   7.4360   0.6043   8.3830   0.6917   6.4900   0.9910 1.893000 1.209000 
1 1 1    1   27    2 o   3.4150   0.9004   3.3180   1.2370   3.5120   1.3090 -0.1942000 1.801000 
1 1 1    1   27    3 o   3.2280   0.8566   2.4410   1.0850   4.0150   1.3260 -1.574000 1.713000 
1 1 1    1   27    4 o   2.7140   0.8130   2.2000   1.0150   3.2280   1.2700 -1.027000 1.626000 
1 1 1    1   27    5 f   7.2430   0.7390   6.9290   1.1990   7.5570   0.8637 -0.6278000 1.478000 
1 1 1    1   27    6 o   4.2330   0.8305   4.0420   1.2520   4.4230   1.0920 -0.3813000 1.661000 
1 1 1    1   27    7 o   2.3270   0.7101   2.1750   0.9919   2.4790   1.0160 -0.3041000 1.420000 
1 1 1    1   27    8 o   7.6640   0.4431   7.8610   0.6525   7.4660   0.5998 0.3952000 0.8863000 
1 1 1    1   27    9 o   3.9610   0.7566   4.4010   1.0650   3.5210   1.0750 0.8798000 1.513000 
1 1 1    1   27   10 o   4.3940   0.7339   4.1600   1.1260   4.6270   0.9416 -0.4671000 1.468000 
1 1 1    1   27   11 o   3.7780   0.7891   3.8490   1.1520   3.7060   1.0790 0.1426000 1.578000 
1 1 1    1   27   12 o   6.3380   0.5305   6.4770   0.7699   6.2000   0.7299 0.2776000 1.061000 
1 1 1    1   27   13 o   5.9390   0.5949   5.3190   0.9742   6.5600   0.6833 -1.241000 1.190000 
1 1 1    1   27   14 o   3.3940   0.8014   3.7950   1.1660   2.9940   1.1000 0.8008000 1.603000 
1 1 1    1   27   15 o   2.3060   0.7447   2.1560   1.0330   2.4550   1.0730 -0.2986000 1.489000 
1 1 1    1   27   16 o   2.4030   0.7822   2.6600   1.1890   2.1460   1.0160 0.5139000 1.564000 
1 1 1    1   27   17 o   1.7920   0.6137   1.5480   0.7710   2.0350   0.9549 -0.4873000 1.227000 
1 1 1    1   29    0 o   2.7190   0.7566   2.8480   1.0870   2.5900   1.0530 0.2584000 1.513000 
1 1 1    1   29    1 o   2.1490   0.6723   2.4720   1.0310   1.8260   0.8628 0.6458000 1.345000 
1 1 1    1   29    2 o   4.4970   0.6869   5.2270   0.8711   3.7660   1.0620 1.461000 1.374000 
1 1 1    1   29    3 o   3.5580   0.7729   3.6170   1.0920   3.4990   1.0950 0.1185000 1.546000 
1 1 1    1   29    4 o   1.7890   0.6018   1.8750   0.8809   1.7040   0.8202 0.1708000 1.204000 
1 1 1    1   29    5 o   6.5850   0.5139   7.3580   0.6830   5.8120   0.7680 1.546000 1.028000 
1 1 1    1   29    6 o   2.3940   0.7183   2.0580   0.9614   2.7300   1.0680 -0.6720000 1.437000 
1 1 1    1   29    7 o   2.3950   0.7240   3.0070   1.1730   1.7820   0.8487 1.225000 1.448000 
1 1 1    1   29    8 o   8.2690   0.4373   8.5210   0.6623   8.0180   0.5713 0.5026000 0.8747000 
1 1 1    1   29    9 o   4.6820   0.8243   5.2260   1.2770   4.1380   1.0430 1.088000 1.649000 
1 1 1    1   29   10 o   2.3490   0.7607   2.6760   1.1870   2.0210   0.9519 0.6546000 1.521000 
1 1 1    1   29   11 o   2.6000   0.8180   2.5510   1.1550   2.6490   1.1590 -0.9790000E-01 1.636000 
1 1 1    1   29   12 o   1.8740   0.6339   1.8290   0.8795   1.9180   0.9132 -0.8886000E-01 1.268000 
1 1 1    1   29   13 o   3.1250   0.8846   2.9160   1.2300   3.3340   1.2720 -0.4175000 1.769000 
1 1 1    1   31    0 o   3.8280   0.9280   3.3570   1.3340   4.2990   1.2910 -0.9426000 1.856000 
1 1 1    1   31    1 o   5.1960   0.8267   3.7260   1.3490   6.6650   0.9564 -2.939000 1.653000 
1 1 1    1   31    2 o   2.1510   0.7231   2.1510   1.0290   2.1500   1.0170 0.7887000E-03 1.446000 
1 1 1    1   31    3 o   1.9500   0.6696   1.6070   0.8121   2.2940   1.0650 -0.6875000 1.339000 
1 1 1    1   31    4 o   5.9380   0.6412   5.5650   0.9724   6.3110   0.8360 -0.7452000 1.282000 
1 1 1    1   31    5 o   4.3930   0.7619   4.1170   1.1670   4.6680   0.9803 -0.5516000 1.524000 
1 1 1    2    0    1 f   60.620   0.4915   60.620   0.4915   60.620   0.4915 0.000000 0.000000 
1 1 1    2    0    2 o  121.700   0.8534  121.700   0.8534  121.700   0.8534 0.000000 0.000000 
1 1 1    2    0    3 o   51.930   0.3669   51.930   0.3669   51.930   0.3669 0.000000 0.000000 
1 1 1    2    0    5 o   13.450   0.1595   13.450   0.1595   13.450   0.1595 0.000000 0.000000 
1 1 1    2    0    6 o   19.790   0.1958   19.790   0.1958   19.790   0.1958 0.000000 0.000000 
1 1 1    2    0    7 o   25.780   0.2044   25.780   0.2044   25.780   0.2044 0.000000 0.000000 
1 1 1    2    0    8 o   88.380   0.6238   88.380   0.6238   88.380   0.6238 0.000000 0.000000 
1 1 1    2    0    9 o   69.940   0.7045   69.940   0.7045   69.940   0.7045 0.000000 0.000000 
1 1 1    2    0   10 o   13.920   0.1894   13.920   0.1894   13.920   0.1894 0.000000 0.000000 
1 1 1    2    0   11 o   4.7680   0.4387   4.7680   0.4387   4.7680   0.4387 0.000000 0.000000 
1 1 1    2    0   12 o   29.350   0.2420   29.350   0.2420   29.350   0.2420 0.000000 0.000000 
1 1 1    2    0   13 o   3.2710   0.8332   3.2710   0.8332   3.2710   0.8332 0.000000 0.000000 
1 1 1    2    0   14 o   17.140   0.2197   17.140   0.2197   17.140   0.2197 0.000000 0.000000 
1 1 1    2    0   15 o   50.640   0.3764   50.640   0.3764   50.640   0.3764 0.000000 0.000000 
1 1 1    2    0   16 o   42.000   0.3289   42.000   0.3289   42.000   0.3289 0.000000 0.000000 
1 1 1    2    0   17 o   10.610   0.5457   10.610   0.5457   10.610   0.5457 0.000000 0.000000 
1 1 1    2    0   18 o   34.640   0.2986   34.640   0.2986   34.640   0.2986 0.000000 0.000000 
1 1 1    2    0   19 o   22.810   0.2880   22.810   0.2880   22.810   0.2880 0.000000 0.000000 
1 1 1    2    0   20 o   10.830   0.4317   10.830   0.4317   10.830   0.4317 0.000000 0.000000 
1 1 1    2    0   21 o   7.2000   0.5872   7.2000   0.5872   7.2000   0.5872 0.000000 0.000000 
1 1 1    2    0   22 o   8.3620   0.7179   8.3620   0.7179   8.3620   0.7179 0.000000 0.000000 
1 1 1    2    0   23 o   22.670   0.3263   22.670   0.3263   22.670   0.3263 0.000000 0.000000 
1 1 1    2    0   24 o   12.160   0.3692   12.160   0.3692   12.160   0.3692 0.000000 0.000000 
1 1 1    2    0   25 o   2.9810   1.3570   2.9810   1.3570   2.9810   1.3570 0.000000 0.000000 
1 1 1    2    0   26 o   9.1760   0.5244   9.1760   0.5244   9.1760   0.5244 0.000000 0.000000 
1 1 1    2    0   27 o   10.370   0.4800   10.370   0.4800   10.370   0.4800 0.000000 0.000000 
1 1 1    2    0   28 o   2.8230   1.3400   2.8230   1.3400   2.8230   1.3400 0.000000 0.000000 
1 1 1    2    0   29 o   2.3490   1.3760   2.3490   1.3760   2.3490   1.3760 0.000000 0.000000 
1 1 1    2    0   30 o   7.5040   0.6622   7.5040   0.6622   7.5040   0.6622 0.000000 0.000000 
1 1 1    2    0   31 o   1.7790   1.1490   1.7790   1.1490   1.7790   1.1490 0.000000 0.000000 
1 1 1    2    0   32 o   1.7390   1.1320   1.7390   1.1320   1.7390   1.1320 0.000000 0.000000 
1 1 1    2    0   33 o   3.0010   1.7430   3.0010   1.7430   3.0010   1.7430 0.000000 0.000000 
1 1 1    2    2    0 o   14.530   0.0841   14.600   0.1191   14.470   0.1188 0.1272000 0.1682000 
1 1 1    2    2    1 f   33.520   0.1963   33.430   0.2768   33.610   0.2784 -0.1824000 0.3926000 
1 1 1    2    2    2 o   83.750   0.4812   83.970   0.6823   83.540   0.6789 0.4255000 0.9625000 
1 1 1    2    2    3 o   13.610   0.1556   13.420   0.2498   13.800   0.1856 -0.3802000 0.3112000 
1 1 1    2    2    4 o   43.610   0.2562   43.540   0.3622   43.690   0.3624 -0.1496000 0.5124000 
1 1 1    2    2    5 o   22.860   0.1493   22.820   0.2109   22.900   0.2113 -0.7351000E-01 0.2986000 
1 1 1    2    2    6 o   56.050   0.3268   55.970   0.4615   56.130   0.4628 -0.1577000 0.6536000 
1 1 1    2    2    7 o   5.4470   0.2287   5.5950   0.3156   5.2990   0.3311 0.2956000 0.4574000 
1 1 1    2    2    8 o   57.270   0.3757   57.430   0.5828   57.110   0.4744 0.3144000 0.7515000 
1 1 1    2    2    9 o   59.730   0.5262   59.790   0.6077   59.670   0.8591 0.1174000 1.052000 
1 1 1    2    2   10 o   52.480   0.2912   52.630   0.3823   52.320   0.4394 0.3083000 0.5824000 
1 1 1    2    2   11 o   13.310   0.1581   13.210   0.2087   13.410   0.2377 -0.1987000 0.3163000 
1 1 1    2    2   12 o   17.310   0.1578   17.520   0.2063   17.110   0.2388 0.4103000 0.3155000 
1 1 1    2    2   13 o   10.310   0.2028   10.530   0.2631   10.090   0.3086 0.4414000 0.4055000 
1 1 1    2    2   14 o   13.540   0.1822   13.760   0.2366   13.320   0.2773 0.4368000 0.3645000 
1 1 1    2    2   15 o   34.680   0.2162   34.420   0.2814   34.930   0.3284 -0.5094000 0.4325000 
1 1 1    2    2   16 o   22.320   0.1969   22.140   0.2557   22.510   0.2996 -0.3703000 0.3939000 
1 1 1    2    2   17 o   16.640   0.2766   16.870   0.3853   16.400   0.3971 0.4700000 0.5533000 
1 1 1    2    2   18 o   19.500   0.2131   19.630   0.2809   19.380   0.3205 0.2591000 0.4262000 
1 1 1    2    2   19 o   15.380   0.2926   14.880   0.3404   15.890   0.4760 -1.010000 0.5852000 
1 1 1    2    2   20 o   21.540   0.2184   21.890   0.2863   21.200   0.3298 0.6980000 0.4367000 
1 1 1    2    2   21 o   11.210   0.4071   10.990   0.5845   11.430   0.5669 -0.4466000 0.8142000 
1 1 1    2    2   22 o   22.590   0.2632   22.460   0.3260   22.730   0.4134 -0.2658000 0.5265000 
1 1 1    2    2   23 o   6.2690   0.4967   5.5910   0.7358   6.9480   0.6675 -1.358000 0.9935000 
1 1 1    2    2   24 f   4.4830   0.6746   3.9210   0.9927   5.0450   0.9138 -1.124000 1.349000 
1 1 1    2    2   25 f   11.310   0.2902   10.540   0.4021   12.070   0.4185 -1.538000 0.5804000 
1 1 1    2    2   26 f   6.4980   0.4802   6.9730   0.5728   6.0230   0.7707 0.9499000 0.9603000 
1 1 1    2    2   27 o   4.9150   0.6308   4.5600   0.8895   5.2700   0.8946 -0.7099000 1.262000 
1 1 1    2    2   28 f   5.6900   0.5558   6.4190   0.6195   4.9620   0.9230 1.457000 1.112000 
1 1 1    2    2   29 o   2.3660   0.7548   1.9550   0.9407   2.7770   1.1810 -0.8220000 1.510000 
1 1 1    2    2   30 o   2.1680   0.6900   2.2150   0.9774   2.1210   0.9741 0.9409000E-01 1.380000 
1 1 1    2    2   31 o   2.8440   0.7828   2.9960   1.0990   2.6920   1.1150 0.3039000 1.566000 
1 1 1    2    2   32 o   1.9900   0.6584   1.8460   0.8758   2.1340   0.9833 -0.2877000 1.317000 
1 1 1    2    2   33 o   2.0270   0.7081   1.9460   0.9532   2.1080   1.0470 -0.1624000 1.416000 
1 1 1    2    4    0 f   32.110   0.2370   32.110   0.3345   32.110   0.3357 -0.4082000E-03 0.4739000 
1 1 1    2    4    1 o   32.140   0.2378   32.170   0.3361   32.110   0.3364 0.5375000E-01 0.4755000 
1 1 1    2    4    2 o   21.880   0.1785   21.980   0.2529   21.790   0.2518 0.1891000 0.3569000 
1 1 1    2    4    3 o   54.900   0.3199   55.020   0.4534   54.790   0.4515 0.2377000 0.6399000 
1 1 1    2    4    4 o   85.680   0.4940   85.390   0.6963   85.960   0.7009 -0.5673000 0.9880000 
1 1 1    2    4    5 f   40.160   0.2410   40.170   0.3410   40.150   0.3405 0.2227000E-01 0.4819000 
1 1 1    2    4    6 o   41.920   0.2514   41.850   0.3551   41.990   0.3559 -0.1315000 0.5028000 
1 1 1    2    4    7 o   50.680   0.2997   50.820   0.4250   50.550   0.4226 0.2742000 0.5994000 
1 1 1    2    4    8 o   43.690   0.3938   43.890   0.4591   43.480   0.6399 0.4020000 0.7876000 
1 1 1    2    4    9 o   37.350   0.2316   37.150   0.3263   37.540   0.3289 -0.3815000 0.4633000 
1 1 1    2    4   10 o   21.970   0.1699   21.820   0.2386   22.120   0.2418 -0.3021000 0.3397000 
1 1 1    2    4   11 f   12.610   0.1827   12.900   0.2532   12.330   0.2635 0.5751000 0.3655000 
1 1 1    2    4   12 o   21.960   0.1786   21.750   0.2524   22.170   0.2527 -0.4218000 0.3571000 
1 1 1    2    4   13 f   35.410   0.2301   35.440   0.3255   35.380   0.3254 0.5599000E-01 0.4602000 
1 1 1    2    4   14 o   9.6570   0.2512   9.8170   0.3507   9.4960   0.3599 0.3208000 0.5025000 
1 1 1    2    4   15 o   29.210   0.2005   29.180   0.2624   29.230   0.3032 -0.4381000E-01 0.4010000 
1 1 1    2    4   16 o   21.490   0.2632   20.970   0.3778   22.010   0.3666 -1.039000 0.5264000 
1 1 1    2    4   17 o   49.820   0.3112   50.000   0.4414   49.630   0.4387 0.3673000 0.6224000 
1 1 1    2    4   18 o   28.540   0.2166   28.490   0.2834   28.590   0.3277 -0.1027000 0.4333000 
1 1 1    2    4   19 o   45.570   0.2757   45.730   0.3621   45.410   0.4158 0.3171000 0.5514000 
1 1 1    2    4   20 o   18.890   0.2246   18.600   0.2963   19.170   0.3375 -0.5723000 0.4491000 
1 1 1    2    4   21 o   8.7890   0.5732   8.4960   0.7196   9.0820   0.8924 -0.5852000 1.146000 
1 1 1    2    4   22 o   8.5730   0.3697   8.8280   0.4726   8.3180   0.5686 0.5103000 0.7394000 
1 1 1    2    4   23 o   12.580   0.2714   12.660   0.3573   12.510   0.4085 0.1502000 0.5427000 
1 1 1    2    4   24 o   7.2300   0.4276   7.5090   0.5347   6.9500   0.6675 0.5591000 0.8552000 
1 1 1    2    4   25 o   5.7510   0.5257   5.8970   0.6594   5.6050   0.8190 0.2917000 1.051000 
1 1 1    2    4   26 o   5.0590   0.6157   5.4800   0.7156   4.6390   1.0020 0.8411000 1.231000 
1 1 1    2    4   27 o   5.4510   0.5894   4.2270   0.9483   6.6740   0.7001 -2.447000 1.179000 
1 1 1    2    4   28 o   5.2450   0.5839   5.3330   0.7420   5.1580   0.9018 0.1746000 1.168000 
1 1 1    2    4   29 o   6.4490   0.6548   6.7750   0.8104   6.1240   1.0290 0.6510000 1.310000 
1 1 1    2    4   30 o   9.7390   0.3617   9.7090   0.4708   9.7690   0.5493 -0.6013000E-01 0.7235000 
1 1 1    2    4   31 o   2.1220   0.6867   1.9380   0.9020   2.3070   1.0360 -0.3693000 1.373000 
1 1 1    2    4   32 o   3.1190   0.8048   3.3010   1.1300   2.9360   1.1470 0.3654000 1.610000 
1 1 1    2    4   33 o   1.8810   0.6630   1.7140   0.8457   2.0490   1.0210 -0.3355000 1.326000 
1 1 1    2    6    0 o   38.240   0.2002   38.380   0.2841   38.090   0.2821 0.2841000 0.4003000 
1 1 1    2    6    1 o   37.450   0.2128   37.130   0.2763   37.780   0.3237 -0.6472000 0.4256000 
1 1 1    2    6    2 o   36.570   0.2086   36.330   0.3137   36.820   0.2751 -0.4992000 0.4172000 
1 1 1    2    6    3 o   66.520   0.3869   66.570   0.5477   66.470   0.5468 0.1022000 0.7739000 
1 1 1    2    6    4 o   46.920   0.2793   46.910   0.3949   46.920   0.3950 -0.1560000E-02 0.5586000 
1 1 1    2    6    5 o   55.520   0.3269   55.350   0.4608   55.690   0.4637 -0.3411000 0.6538000 
1 1 1    2    6    6 o   47.290   0.4243   47.190   0.4901   47.390   0.6929 -0.1987000 0.8487000 
1 1 1    2    6    7 f   28.920   0.2136   29.120   0.2727   28.730   0.3288 0.3846000 0.4272000 
1 1 1    2    6    8 o   16.360   0.1644   16.700   0.2330   16.020   0.2320 0.6739000 0.3288000 
1 1 1    2    6    9 o   31.510   0.2084   31.530   0.2955   31.490   0.2939 0.3369000E-01 0.4168000 
1 1 1    2    6   10 o   7.2830   0.2688   7.3560   0.3749   7.2090   0.3853 0.1473000 0.5376000 
1 1 1    2    6   11 o   42.710   0.2652   42.560   0.3741   42.860   0.3759 -0.3001000 0.5304000 
1 1 1    2    6   12 o   17.700   0.1817   17.580   0.2581   17.820   0.2559 -0.2328000 0.3634000 
1 1 1    2    6   13 o   26.360   0.1979   26.300   0.2804   26.420   0.2792 -0.1180000 0.3957000 
1 1 1    2    6   14 o   38.920   0.2529   39.060   0.3589   38.780   0.3565 0.2843000 0.5059000 
1 1 1    2    6   15 o   28.130   0.2191   28.300   0.3118   27.970   0.3079 0.3329000 0.4382000 
1 1 1    2    6   16 o   21.340   0.3162   21.320   0.5117   21.360   0.3714 -0.4805000E-01 0.6323000 
1 1 1    2    6   17 o   29.960   0.2310   29.760   0.3271   30.160   0.3264 -0.3921000 0.4620000 
1 1 1    2    6   18 o   33.410   0.2480   33.330   0.3513   33.500   0.3501 -0.1669000 0.4960000 
1 1 1    2    6   19 o   21.970   0.2337   21.980   0.3324   21.960   0.3286 0.1987000E-01 0.4674000 
1 1 1    2    6   20 o   10.260   0.3917   10.970   0.4821   9.5620   0.6175 1.404000 0.7835000 
1 1 1    2    6   21 o   21.030   0.3435   20.410   0.4217   21.650   0.5424 -1.239000 0.6870000 
1 1 1    2    6   22 o   10.400   0.3090   10.480   0.4126   10.330   0.4600 0.1561000 0.6179000 
1 1 1    2    6   23 o   6.5190   0.4718   6.9250   0.5806   6.1130   0.7437 0.8121000 0.9435000 
1 1 1    2    6   24 o   3.0510   0.7646   2.9370   1.0440   3.1650   1.1180 -0.2286000 1.529000 
1 1 1    2    6   25 o   3.2640   0.7604   3.5430   1.0380   2.9850   1.1110 0.5581000 1.521000 
1 1 1    2    6   26 o   3.4650   0.7311   4.1010   0.9686   2.8280   1.0950 1.273000 1.462000 
1 1 1    2    6   27 o   9.8310   0.3308   9.9540   0.4351   9.7080   0.4986 0.2459000 0.6617000 
1 1 1    2    6   28 o   3.1200   0.8643   3.1880   1.2140   3.0510   1.2310 0.1368000 1.729000 
1 1 1    2    6   29 o   4.5400   0.7058   5.2660   0.8288   3.8150   1.1430 1.452000 1.412000 
1 1 1    2    6   30 o   1.9680   0.6495   1.9930   0.9170   1.9430   0.9201 0.4981000E-01 1.299000 
1 1 1    2    6   31 o   2.3810   0.6870   3.1270   1.1110   1.6340   0.8079 1.492000 1.374000 
1 1 1    2    6   32 o   3.5350   0.9899   3.1470   1.3020   3.9220   1.4910 -0.7752000 1.980000 
1 1 1    2    6   33 o   2.0870   0.6975   2.3230   1.0690   1.8500   0.8962 0.4736000 1.395000 
1 1 1    2    8    0 o   15.740   0.1748   16.000   0.2696   15.480   0.2226 0.5203000 0.3496000 
1 1 1    2    8    1 o   33.270   0.2374   33.820   0.3709   32.720   0.2965 1.098000 0.4748000 
1 1 1    2    8    2 o   46.280   0.3409   46.530   0.4845   46.020   0.4796 0.5117000 0.6817000 
1 1 1    2    8    3 o   42.980   0.3204   42.690   0.4508   43.280   0.4555 -0.5885000 0.6408000 
1 1 1    2    8    4 o   32.660   0.3134   32.600   0.3641   32.720   0.5102 -0.1231000 0.6268000 
1 1 1    2    8    5 o   23.230   0.1742   23.270   0.2459   23.180   0.2469 0.9644000E-01 0.3485000 
1 1 1    2    8    6 o   16.840   0.1677   17.060   0.2345   16.620   0.2397 0.4399000 0.3353000 
1 1 1    2    8    7 o   8.0140   0.2467   8.0370   0.3450   7.9920   0.3529 0.4484000E-01 0.4935000 
1 1 1    2    8    8 o   18.380   0.1778   17.930   0.2466   18.820   0.2562 -0.8897000 0.3555000 
1 1 1    2    8    9 o   31.760   0.2143   32.000   0.3046   31.520   0.3016 0.4792000 0.4286000 
1 1 1    2    8   10 f   12.950   0.2023   12.860   0.2876   13.030   0.2847 -0.1731000 0.4047000 
1 1 1    2    8   11 o   23.270   0.1920   23.160   0.2739   23.370   0.2691 -0.2048000 0.3839000 
1 1 1    2    8   12 o   41.820   0.2655   41.860   0.3769   41.780   0.3739 0.8057000E-01 0.5309000 
1 1 1    2    8   13 o   46.890   0.2927   47.250   0.4177   46.530   0.4102 0.7190000 0.5854000 
1 1 1    2    8   14 o   41.850   0.3325   41.960   0.4716   41.730   0.4689 0.2290000 0.6650000 
1 1 1    2    8   15 o   14.990   0.3398   15.260   0.5258   14.720   0.4305 0.5358000 0.6796000 
1 1 1    2    8   16 o   31.470   0.2354   31.300   0.3334   31.650   0.3323 -0.3526000 0.4707000 
1 1 1    2    8   17 o   15.990   0.2671   15.870   0.3858   16.120   0.3696 -0.2495000 0.5343000 
1 1 1    2    8   18 o   5.4460   0.6655   5.2120   0.9947   5.6800   0.8844 -0.4683000 1.331000 
1 1 1    2    8   19 o   15.800   0.2594   15.900   0.3695   15.690   0.3643 0.2048000 0.5189000 
1 1 1    2    8   20 o   19.070   0.3490   18.530   0.4324   19.610   0.5480 -1.085000 0.6980000 
1 1 1    2    8   21 o   11.500   0.3105   11.000   0.4517   11.990   0.4263 -0.9816000 0.6211000 
1 1 1    2    8   22 o   8.5240   0.3853   8.8320   0.5293   8.2170   0.5600 0.6154000 0.7706000 
1 1 1    2    8   23 o   9.2490   0.3626   9.3130   0.5060   9.1860   0.5194 0.1267000 0.7251000 
1 1 1    2    8   24 o   7.6860   0.4002   7.3440   0.5563   8.0280   0.5755 -0.6838000 0.8004000 
1 1 1    2    8   25 o   3.7050   0.7510   3.7680   1.0140   3.6420   1.1080 0.1255000 1.502000 
1 1 1    2    8   26 o   3.1310   0.7485   3.6170   1.0470   2.6450   1.0700 0.9728000 1.497000 
1 1 1    2    8   27 o   3.3860   0.7962   2.2270   0.9721   4.5460   1.2610 -2.320000 1.592000 
1 1 1    2    8   28 o   5.1320   0.7481   4.8830   1.1420   5.3810   0.9669 -0.4986000 1.496000 
1 1 1    2    8   29 o   3.1320   0.7156   4.0940   1.0380   2.1710   0.9852 1.924000 1.431000 
1 1 1    2    8   30 o   4.1740   0.7177   5.4060   0.8596   2.9410   1.1500 2.465000 1.435000 
1 1 1    2    8   31 o   1.8760   0.6304   1.5410   0.7624   2.2120   1.0040 -0.6701000 1.261000 
1 1 1    2    8   32 o   2.4200   0.8138   2.1300   1.0220   2.7100   1.2670 -0.5808000 1.628000 
1 1 1    2   10    0 o   30.960   0.1949   30.990   0.2946   30.930   0.2553 0.6299000E-01 0.3898000 
1 1 1    2   10    1 o   34.460   0.2091   34.660   0.3164   34.260   0.2734 0.3935000 0.4181000 
1 1 1    2   10    2 o   40.860   0.2206   40.790   0.3114   40.930   0.3127 -0.1398000 0.4413000 
1 1 1    2   10    3 o   37.320   0.2220   37.280   0.3347   37.350   0.2916 -0.7551000E-01 0.4439000 
1 1 1    2   10    4 o   26.710   0.1810   26.680   0.2734   26.750   0.2374 -0.7265000E-01 0.3621000 
1 1 1    2   10    5 o   8.2550   0.2581   8.5260   0.3524   7.9850   0.3770 0.5410000 0.5161000 
1 1 1    2   10    6 o   14.680   0.1874   14.400   0.2633   14.970   0.2668 -0.5753000 0.3748000 
1 1 1    2   10    7 o   6.8100   0.3220   7.1670   0.4308   6.4540   0.4786 0.7128000 0.6439000 
1 1 1    2   10    8 o   26.280   0.1991   26.110   0.2796   26.440   0.2835 -0.3310000 0.3982000 
1 1 1    2   10    9 o   9.4340   0.2629   9.4960   0.3651   9.3730   0.3784 0.1234000 0.5258000 
1 1 1    2   10   10 o   9.7200   0.2681   9.2750   0.3893   10.160   0.3686 -0.8893000 0.5361000 
1 1 1    2   10   11 f   14.910   0.2159   14.680   0.3062   15.140   0.3043 -0.4625000 0.4317000 
1 1 1    2   10   12 o   13.790   0.2390   13.460   0.3405   14.110   0.3355 -0.6508000 0.4780000 
1 1 1    2   10   13 o   34.060   0.3554   34.120   0.5768   34.000   0.4155 0.1239000 0.7109000 
1 1 1    2   10   14 o   23.000   0.2385   23.110   0.3670   22.900   0.3048 0.2099000 0.4771000 
1 1 1    2   10   15 o   40.410   0.2706   40.330   0.3847   40.500   0.3808 -0.1739000 0.5413000 
1 1 1    2   10   16 o   18.360   0.2472   18.490   0.3572   18.230   0.3417 0.2602000 0.4943000 
1 1 1    2   10   17 o   14.100   0.2849   14.400   0.4082   13.810   0.3974 0.5904000 0.5697000 
1 1 1    2   10   18 o   10.320   0.4343   10.950   0.6278   9.6930   0.6002 1.253000 0.8686000 
1 1 1    2   10   19 o   6.6340   0.7395   7.0820   0.8530   6.1850   1.2080 0.8969000 1.479000 
1 1 1    2   10   20 o   8.3600   0.3963   8.8950   0.5260   7.8250   0.5929 1.071000 0.7926000 
1 1 1    2   10   21 o   16.370   0.2698   17.060   0.4044   15.690   0.3573 1.375000 0.5396000 
1 1 1    2   10   22 o   7.4080   0.4408   7.0490   0.6509   7.7660   0.5945 -0.7174000 0.8815000 
1 1 1    2   10   23 o   2.9180   0.7776   2.8540   1.0890   2.9810   1.1100 -0.1272000 1.555000 
1 1 1    2   10   24 o   5.8590   0.5525   5.4630   0.8336   6.2550   0.7255 -0.7919000 1.105000 
1 1 1    2   10   25 o   5.5470   0.5999   6.0770   0.7731   5.0170   0.9175 1.060000 1.200000 
1 1 1    2   10   26 o   5.5300   0.6214   6.5100   0.7282   4.5500   1.0070 1.960000 1.243000 
1 1 1    2   10   27 o   4.3050   0.8891   4.0840   1.2450   4.5270   1.2700 -0.4428000 1.778000 
1 1 1    2   10   28 o   6.1300   0.5689   6.9800   0.6432   5.2800   0.9385 1.700000 1.138000 
1 1 1    2   10   29 o   6.9200   0.4972   6.8520   0.6726   6.9890   0.7325 -0.1369000 0.9945000 
1 1 1    2   10   30 o   2.8360   0.7887   2.5760   1.0580   3.0950   1.1700 -0.5188000 1.577000 
1 1 1    2   10   31 o   2.3480   0.7879   2.3290   1.0900   2.3670   1.1380 -0.3806000E-01 1.576000 
1 1 1    2   12    0 o   15.380   0.1706   15.370   0.2401   15.390   0.2424 -0.1846000E-01 0.3412000 
1 1 1    2   12    1 o   12.740   0.2012   13.150   0.2538   12.340   0.3122 0.8049000 0.4024000 
1 1 1    2   12    2 o   20.810   0.1635   21.260   0.2325   20.370   0.2298 0.8929000 0.3269000 
1 1 1    2   12    3 o   33.060   0.1943   33.040   0.2744   33.080   0.2750 -0.3720000E-01 0.3885000 
1 1 1    2   12    4 o   22.310   0.1800   22.130   0.2704   22.490   0.2376 -0.3611000 0.3600000 
1 1 1    2   12    5 o   38.010   0.2311   37.910   0.3480   38.100   0.3043 -0.1903000 0.4623000 
1 1 1    2   12    6 o   37.130   0.2277   37.080   0.3429   37.180   0.2998 -0.1016000 0.4555000 
1 1 1    2   12    7 o   33.270   0.2291   33.170   0.3235   33.370   0.3246 -0.1958000 0.4582000 
1 1 1    2   12    8 o   48.500   0.3361   48.440   0.4258   48.550   0.5202 -0.1097000 0.6722000 
1 1 1    2   12    9 o   46.780   0.3271   46.590   0.4137   46.960   0.5068 -0.3787000 0.6542000 
1 1 1    2   12   10 o   21.510   0.2082   21.710   0.2958   21.310   0.2931 0.4056000 0.4164000 
1 1 1    2   12   11 o   4.3880   0.8770   3.8270   1.3150   4.9490   1.1610 -1.122000 1.754000 
1 1 1    2   12   12 o   14.160   0.2731   13.680   0.4188   14.650   0.3504 -0.9663000 0.5461000 
1 1 1    2   12   13 o   23.910   0.2235   23.980   0.3178   23.840   0.3142 0.1359000 0.4469000 
1 1 1    2   12   14 o   15.290   0.2618   15.330   0.3716   15.250   0.3690 0.8597000E-01 0.5237000 
1 1 1    2   12   15 o   10.120   0.3530   9.9850   0.5135   10.250   0.4844 -0.2673000 0.7059000 
1 1 1    2   12   16 f   18.570   0.2422   18.510   0.3470   18.630   0.3381 -0.1185000 0.4845000 
1 1 1    2   12   17 o   8.3400   0.5927   7.7440   0.8273   8.9360   0.8490 -1.192000 1.185000 
1 1 1    2   12   18 o   8.0450   0.4586   8.1340   0.6045   7.9570   0.6898 0.1765000 0.9172000 
1 1 1    2   12   19 o   5.9210   0.5646   5.6330   0.8487   6.2090   0.7450 -0.5763000 1.129000 
1 1 1    2   12   20 o   10.740   0.3287   10.570   0.4770   10.900   0.4523 -0.3264000 0.6574000 
1 1 1    2   12   21 o   3.0940   0.7776   3.4550   1.1220   2.7330   1.0770 0.7215000 1.555000 
1 1 1    2   12   22 o   13.200   0.2861   13.470   0.4056   12.930   0.4037 0.5406000 0.5723000 
1 1 1    2   12   23 o   9.2870   0.3581   9.1190   0.5228   9.4550   0.4895 -0.3358000 0.7162000 
1 1 1    2   12   24 o   3.4330   0.7938   3.7060   1.1380   3.1590   1.1070 0.5464000 1.588000 
1 1 1    2   12   25 o   3.9550   0.7547   4.5000   1.0060   3.4090   1.1260 1.091000 1.509000 
1 1 1    2   12   26 o   12.520   0.4358   12.670   0.6585   12.360   0.5711 0.3066000 0.8717000 
1 1 1    2   12   27 o   8.0920   0.4379   7.6450   0.6554   8.5400   0.5809 -0.8953000 0.8758000 
1 1 1    2   12   28 o   2.2820   0.7098   1.9060   0.9048   2.6580   1.0940 -0.7515000 1.420000 
1 1 1    2   12   29 f   2.2510   0.7058   2.7380   1.1230   1.7640   0.8552 0.9742000 1.412000 
1 1 1    2   12   30 o   2.3690   0.7609   2.4580   1.0880   2.2810   1.0640 0.1765000 1.522000 
1 1 1    2   12   31 o   1.9930   0.6726   2.1430   0.9911   1.8420   0.9096 0.3010000 1.345000 
1 1 1    2   14    0 o   12.810   0.2040   12.520   0.2925   13.100   0.2844 -0.5816000 0.4079000 
1 1 1    2   14    1 o   10.790   0.2450   10.980   0.3639   10.600   0.3282 0.3822000 0.4900000 
1 1 1    2   14    2 o   26.370   0.1813   26.500   0.2573   26.230   0.2555 0.2699000 0.3626000 
1 1 1    2   14    3 o   25.150   0.2305   26.000   0.2941   24.310   0.3549 1.699000 0.4609000 
1 1 1    2   14    4 o   14.880   0.2062   14.750   0.3113   15.020   0.2705 -0.2712000 0.4124000 
1 1 1    2   14    5 o   21.790   0.1939   21.820   0.2930   21.760   0.2541 0.6372000E-01 0.3879000 
1 1 1    2   14    6 o   43.000   0.2768   42.710   0.3897   43.280   0.3930 -0.5692000 0.5535000 
1 1 1    2   14    7 o   15.750   0.2593   16.440   0.3873   15.060   0.3450 1.379000 0.5187000 
1 1 1    2   14    8 o   28.480   0.3290   28.540   0.5292   28.430   0.3909 0.1069000 0.6579000 
1 1 1    2   14    9 o   26.740   0.3312   27.110   0.5293   26.380   0.3983 0.7241000 0.6624000 
1 1 1    2   14   10 o   17.020   0.2395   17.190   0.3331   16.850   0.3443 0.3396000 0.4791000 
1 1 1    2   14   11 o   20.880   0.2295   20.720   0.3273   21.040   0.3218 -0.3254000 0.4590000 
1 1 1    2   14   12 o   21.410   0.2351   21.340   0.3298   21.490   0.3352 -0.1501000 0.4702000 
1 1 1    2   14   13 o   17.320   0.2531   17.020   0.3558   17.630   0.3602 -0.6094000 0.5063000 
1 1 1    2   14   14 o   28.130   0.2367   27.770   0.3339   28.500   0.3357 -0.7304000 0.4735000 
1 1 1    2   14   15 o   19.920   0.3012   20.000   0.4355   19.840   0.4161 0.1660000 0.6023000 
1 1 1    2   14   16 o   9.3040   0.5014   9.3430   0.5274   9.2660   0.8530 0.7659000E-01 1.003000 
1 1 1    2   14   17 o   16.380   0.2528   16.270   0.3623   16.490   0.3526 -0.2156000 0.5055000 
1 1 1    2   14   18 o   18.700   0.2405   18.760   0.3459   18.640   0.3343 0.1229000 0.4811000 
1 1 1    2   14   19 o   4.2890   0.6879   3.0200   1.1180   5.5570   0.8019 -2.537000 1.376000 
1 1 1    2   14   20 o   2.4980   0.7362   2.5070   1.0380   2.4890   1.0450 0.1814000E-01 1.472000 
1 1 1    2   14   21 o   19.820   0.2406   19.590   0.3406   20.060   0.3401 -0.4695000 0.4813000 
1 1 1    2   14   22 o   11.550   0.3089   11.480   0.4383   11.610   0.4355 -0.1358000 0.6178000 
1 1 1    2   14   23 o   6.1040   0.5511   6.3450   0.7725   5.8630   0.7862 0.4822000 1.102000 
1 1 1    2   14   24 o   6.6730   0.6811   7.7230   0.7922   5.6230   1.1080 2.100000 1.362000 
1 1 1    2   14   25 o   4.2360   0.9504   4.5810   1.3790   3.8910   1.3080 0.6899000 1.901000 
1 1 1    2   14   26 o   3.1420   0.7514   4.2330   1.1450   2.0510   0.9737 2.182000 1.503000 
1 1 1    2   14   27 o   3.7090   0.8329   3.8350   1.2040   3.5840   1.1510 0.2512000 1.666000 
1 1 1    2   14   28 o   4.4540   0.7841   3.8490   1.1980   5.0580   1.0110 -1.209000 1.568000 
1 1 1    2   14   29 o   2.9350   0.8455   2.2960   1.0980   3.5750   1.2860 -1.279000 1.691000 
1 1 1    2   14   30 o   1.9930   0.6715   2.3070   1.0470   1.6790   0.8408 0.6276000 1.343000 
1 1 1    2   16    0 o   54.720   0.4133   54.580   0.5825   54.860   0.5865 -0.2815000 0.8266000 
1 1 1    2   16    1 o   30.110   0.2807   29.680   0.3922   30.540   0.4015 -0.8557000 0.5613000 
1 1 1    2   16    2 o   38.390   0.3179   38.190   0.4469   38.590   0.4523 -0.3956000 0.6358000 
1 1 1    2   16    3 o   13.250   0.3200   13.140   0.4468   13.370   0.4582 -0.2302000 0.6400000 
1 1 1    2   16    4 o   73.510   0.6595   73.550   1.0780   73.460   0.7596 0.9834000E-01 1.319000 
1 1 1    2   16    5 o   37.960   0.2449   38.540   0.3733   37.380   0.3171 1.163000 0.4898000 
1 1 1    2   16    6 o   11.950   0.2762   11.700   0.4243   12.200   0.3537 -0.5006000 0.5524000 
1 1 1    2   16    7 f   4.5700   0.6641   4.5940   0.9859   4.5460   0.8900 0.4837000E-01 1.328000 
1 1 1    2   16    8 o   12.680   0.2711   12.910   0.4030   12.450   0.3627 0.4631000 0.5422000 
1 1 1    2   16    9 f   46.570   0.2817   46.270   0.4238   46.860   0.3712 -0.5941000 0.5633000 
1 1 1    2   16   10 o   23.370   0.2324   23.280   0.3298   23.460   0.3275 -0.1801000 0.4648000 
1 1 1    2   16   11 o   12.400   0.3072   12.140   0.4314   12.660   0.4375 -0.5201000 0.6144000 
1 1 1    2   16   12 o   17.540   0.2564   17.360   0.3618   17.710   0.3636 -0.3495000 0.5129000 
1 1 1    2   16   13 f   11.640   0.4524   11.170   0.6024   12.110   0.6752 -0.9410000 0.9048000 
1 1 1    2   16   14 o   10.510   0.3631   10.380   0.4823   10.650   0.5430 -0.2712000 0.7263000 
1 1 1    2   16   15 o   10.920   0.3276   10.550   0.4713   11.290   0.4552 -0.7355000 0.6552000 
1 1 1    2   16   16 o   11.050   0.3245   10.670   0.4724   11.430   0.4450 -0.7563000 0.6490000 
1 1 1    2   16   17 o   21.060   0.2390   21.190   0.3355   20.930   0.3405 0.2579000 0.4780000 
1 1 1    2   16   18 o   16.530   0.2580   16.570   0.3668   16.490   0.3628 0.8096000E-01 0.5159000 
1 1 1    2   16   19 o   8.2740   0.3995   8.4360   0.5533   8.1120   0.5764 0.3245000 0.7989000 
1 1 1    2   16   20 o   13.820   0.2738   13.460   0.3954   14.190   0.3789 -0.7260000 0.5477000 
1 1 1    2   16   21 o   5.8990   0.5603   6.0490   0.7674   5.7490   0.8166 0.3005000 1.121000 
1 1 1    2   16   22 o   7.8400   0.4249   7.9440   0.6027   7.7360   0.5990 0.2083000 0.8497000 
1 1 1    2   16   23 o   3.8360   0.8922   4.2200   1.2270   3.4530   1.2950 0.7666000 1.784000 
1 1 1    2   16   24 o   2.0630   0.6821   2.4030   1.0770   1.7230   0.8378 0.6804000 1.364000 
1 1 1    2   16   25 o   3.4140   0.7445   4.5690   1.0980   2.2590   1.0060 2.310000 1.489000 
1 1 1    2   16   26 f   2.8060   0.7775   3.2960   1.1710   2.3160   1.0230 0.9797000 1.555000 
1 1 1    2   16   27 o   2.4640   0.7492   2.7490   1.1200   2.1790   0.9951 0.5708000 1.498000 
1 1 1    2   16   28 o   2.6400   0.8476   2.8020   1.2320   2.4780   1.1640 0.3240000 1.695000 
1 1 1    2   16   29 o   3.2320   1.3490   3.2320   1.3490  ?   ?       ?      ? 
1 1 1    2   18    0 o   8.4360   0.3543   8.6510   0.4835   8.2210   0.5181 0.4305000 0.7087000 
1 1 1    2   18    1 o   27.940   0.2028   27.950   0.2868   27.930   0.2867 0.2435000E-01 0.4055000 
1 1 1    2   18    2 o   21.960   0.2002   22.170   0.2811   21.760   0.2851 0.4064000 0.4004000 
1 1 1    2   18    3 o   26.590   0.2030   26.780   0.2864   26.400   0.2877 0.3809000 0.4059000 
1 1 1    2   18    4 o   19.180   0.2089   19.160   0.2948   19.200   0.2960 -0.3188000E-01 0.4178000 
1 1 1    2   18    5 o   42.170   0.3022   42.240   0.4937   42.110   0.3486 0.1216000 0.6044000 
1 1 1    2   18    6 o   39.530   0.2558   39.550   0.3870   39.520   0.3348 0.3357000E-01 0.5117000 
1 1 1    2   18    7 o   5.1580   0.6303   5.0640   0.9672   5.2530   0.8084 -0.1888000 1.261000 
1 1 1    2   18    8 o   9.1510   0.3599   8.8890   0.5488   9.4130   0.4657 -0.5236000 0.7197000 
1 1 1    2   18    9 o   3.4690   0.8975   3.2720   1.2820   3.6660   1.2560 -0.3941000 1.795000 
1 1 1    2   18   10 o   4.2480   0.8985   4.4380   1.2860   4.0580   1.2560 0.3798000 1.797000 
1 1 1    2   18   11 o   18.990   0.2648   18.690   0.3440   19.300   0.4026 -0.6056000 0.5295000 
1 1 1    2   18   12 f   5.2100   0.6440   5.2780   0.8962   5.1420   0.9251 0.1359000 1.288000 
1 1 1    2   18   13 o   26.630   0.2409   26.360   0.3372   26.900   0.3442 -0.5368000 0.4819000 
1 1 1    2   18   14 o   11.660   0.3222   12.390   0.4186   10.930   0.4900 1.462000 0.6445000 
1 1 1    2   18   15 o   16.390   0.2634   16.790   0.3565   15.980   0.3879 0.8055000 0.5269000 
1 1 1    2   18   16 o   19.350   0.2470   19.210   0.3507   19.500   0.3480 -0.2947000 0.4941000 
1 1 1    2   18   17 o   6.8950   0.4766   6.6450   0.7026   7.1440   0.6442 -0.4993000 0.9532000 
1 1 1    2   18   18 o   3.1870   0.7272   2.1940   0.9776   4.1790   1.0770 -1.985000 1.454000 
1 1 1    2   18   19 o   7.0590   0.4675   6.9130   0.6543   7.2050   0.6680 -0.2918000 0.9351000 
1 1 1    2   18   20 o   4.0690   0.7664   4.2250   1.0530   3.9140   1.1140 0.3115000 1.533000 
1 1 1    2   18   21 o   3.9170   0.8717   4.6410   1.2120   3.1930   1.2530 1.448000 1.743000 
1 1 1    2   18   22 f   3.5180   0.8410   3.6530   1.2280   3.3840   1.1490 0.2686000 1.682000 
1 1 1    2   18   23 o   3.9630   0.7760   4.6700   1.0540   3.2570   1.1400 1.413000 1.552000 
1 1 1    2   18   24 o   2.6580   0.7754   2.8860   1.1440   2.4290   1.0470 0.4565000 1.551000 
1 1 1    2   18   25 o   2.8350   0.7952   3.0990   1.1650   2.5700   1.0830 0.5284000 1.590000 
1 1 1    2   18   26 o   5.6100   0.8375   5.3170   1.3030   5.9030   1.0520 -0.5859000 1.675000 
1 1 1    2   18   27 o   2.3050   0.7442   2.1290   0.9905   2.4800   1.1110 -0.3515000 1.488000 
1 1 1    2   20    0 o   18.700   0.3064   18.660   0.4395   18.740   0.4271 -0.8282000E-01 0.6129000 
1 1 1    2   20    1 o   8.0400   0.5483   8.1540   0.7871   7.9260   0.7634 0.2282000 1.097000 
1 1 1    2   20    2 o   3.8330   0.7849   2.4320   1.0990   5.2330   1.1210 -2.801000 1.570000 
1 1 1    2   20    3 o   21.680   0.2939   21.490   0.4205   21.880   0.4106 -0.3877000 0.5877000 
1 1 1    2   20    4 o   5.7230   0.7560   6.2460   1.0060   5.1990   1.1290 1.048000 1.512000 
1 1 1    2   20    5 o   19.880   0.2946   19.330   0.4275   20.420   0.4055 -1.089000 0.5892000 
1 1 1    2   20    6 o   6.0530   0.5672   6.5110   0.7556   5.5950   0.8461 0.9158000 1.134000 
1 1 1    2   20    7 o   14.250   0.2581   14.300   0.3887   14.200   0.3397 0.9971000E-01 0.5162000 
1 1 1    2   20    8 o   5.9390   0.5283   5.8500   0.7890   6.0280   0.7028 -0.1784000 1.057000 
1 1 1    2   20    9 o   5.6770   0.5557   5.8120   0.8021   5.5430   0.7692 0.2687000 1.111000 
1 1 1    2   20   10 o   2.8260   0.6770   4.0010   1.0940   1.6520   0.7980 2.348000 1.354000 
1 1 1    2   20   11 o   9.9080   0.3324   9.8610   0.4989   9.9550   0.4393 -0.9426000E-01 0.6648000 
1 1 1    2   20   12 o   18.470   0.2345   18.440   0.3519   18.500   0.3099 -0.5961000E-01 0.4689000 
1 1 1    2   20   13 o   9.3350   0.3766   9.8540   0.5020   8.8160   0.5616 1.037000 0.7533000 
1 1 1    2   20   14 o   5.2050   0.6396   4.4540   1.0230   5.9560   0.7684 -1.502000 1.279000 
1 1 1    2   20   15 o   2.1790   0.6932   1.9770   0.9183   2.3810   1.0390 -0.4048000 1.386000 
1 1 1    2   20   16 o   5.4480   0.6811   4.2580   1.0570   6.6380   0.8596 -2.379000 1.362000 
1 1 1    2   20   17 o   3.3840   0.8139   3.3430   1.1370   3.4260   1.1650 -0.8259000E-01 1.628000 
1 1 1    2   20   18 o   5.7130   0.5837   5.4650   0.8390   5.9610   0.8116 -0.4958000 1.167000 
1 1 1    2   20   19 o   8.7320   0.5126   9.0770   0.6689   8.3870   0.7770 0.6902000 1.025000 
1 1 1    2   20   20 o   2.0220   0.6744   2.2030   1.0190   1.8420   0.8837 0.3609000 1.349000 
1 1 1    2   20   21 o   9.2170   0.4078   9.4540   0.5514   8.9800   0.6010 0.4738000 0.8156000 
1 1 1    2   20   22 o   2.0010   0.6640   1.9410   0.9153   2.0610   0.9621 -0.1197000 1.328000 
1 1 1    2   20   23 o   2.6530   0.7419   1.9460   0.9255   3.3590   1.1600 -1.413000 1.484000 
1 1 1    2   20   24 o   3.2500   0.8959   2.8730   1.2510   3.6260   1.2830 -0.7532000 1.792000 
1 1 1    2   20   25 o   2.0850   0.7187   2.1940   1.0520   1.9770   0.9797 0.2170000 1.437000 
1 1 1    2   20   26 o   3.2780   0.9476   3.8410   1.4030   2.7150   1.2740 1.126000 1.895000 
1 1 1    2   22    0 o   5.9910   0.5031   5.9780   0.7054   6.0040   0.7176 -0.2564000E-01 1.006000 
1 1 1    2   22    1 o   10.240   0.3081   10.380   0.4293   10.100   0.4421 0.2775000 0.6162000 
1 1 1    2   22    2 o   6.5820   0.4551   6.4190   0.6556   6.7440   0.6314 -0.3251000 0.9102000 
1 1 1    2   22    3 o   7.1750   0.4158   6.9640   0.6037   7.3850   0.5718 -0.4208000 0.8316000 
1 1 1    2   22    4 o   20.750   0.2105   20.920   0.2971   20.570   0.2984 0.3541000 0.4211000 
1 1 1    2   22    5 o   12.770   0.2811   12.870   0.4242   12.670   0.3689 0.1988000 0.5622000 
1 1 1    2   22    6 o   9.5410   0.3527   9.4130   0.5468   9.6690   0.4458 -0.2561000 0.7055000 
1 1 1    2   22    7 o   2.9680   0.7695   3.3960   1.1520   2.5390   1.0200 0.8573000 1.539000 
1 1 1    2   22    8 o   10.610   0.3102   10.820   0.4616   10.410   0.4144 0.4099000 0.6203000 
1 1 1    2   22    9 o   2.8170   0.7614   3.0160   1.1190   2.6190   1.0330 0.3970000 1.523000 
1 1 1    2   22   10 o   5.1140   0.6181   4.5540   1.0100   5.6750   0.7132 -1.121000 1.236000 
1 1 1    2   22   11 o   6.7470   0.4567   7.0900   0.6648   6.4040   0.6264 0.6861000 0.9134000 
1 1 1    2   22   12 o   10.420   0.3160   10.520   0.4718   10.310   0.4205 0.2104000 0.6319000 
1 1 1    2   22   13 o   9.1100   0.3642   9.1740   0.5487   9.0450   0.4790 0.1291000 0.7284000 
1 1 1    2   22   14 o   3.1700   0.7703   3.0180   1.1180   3.3230   1.0600 -0.3048000 1.541000 
1 1 1    2   22   15 o   3.9420   0.7849   4.2010   1.0860   3.6830   1.1340 0.5183000 1.570000 
1 1 1    2   22   16 o   3.1670   0.8773   2.9260   1.1870   3.4080   1.2920 -0.4825000 1.755000 
1 1 1    2   22   17 o   9.0240   0.6161   9.8390   0.8509   8.2100   0.8913 1.629000 1.232000 
1 1 1    2   22   18 o   6.6000   0.5828   6.5810   0.8493   6.6190   0.7983 -0.3792000E-01 1.166000 
1 1 1    2   22   19 o   2.8560   0.8138   2.7600   1.1490   2.9510   1.1530 -0.1916000 1.628000 
1 1 1    2   22   20 o   2.3380   0.7261   1.8860   0.9004   2.7910   1.1390 -0.9056000 1.452000 
1 1 1    2   22   21 o   2.9250   0.8118   3.1350   1.1590   2.7140   1.1370 0.4204000 1.624000 
1 1 1    2   22   22 o   3.2500   0.8852   2.5530   1.1670   3.9480   1.3310 -1.395000 1.770000 
1 1 1    2   22   23 o   2.1310   0.7387   1.8910   0.9358   2.3720   1.1430 -0.4809000 1.477000 
1 1 1    2   22   24 o   3.1430   0.9374   3.6340   1.3880   2.6520   1.2600 0.9820000 1.875000 
1 1 1    2   24    0 o   2.1150   0.6605   1.9660   0.8982   2.2630   0.9687 -0.2964000 1.321000 
1 1 1    2   24    1 o   11.890   0.2754   11.740   0.3931   12.040   0.3858 -0.2944000 0.5508000 
1 1 1    2   24    2 o   14.820   0.2368   15.070   0.3304   14.580   0.3392 0.4945000 0.4735000 
1 1 1    2   24    3 o   9.4270   0.3253   9.5040   0.4536   9.3500   0.4664 0.1543000 0.6506000 
1 1 1    2   24    4 o   4.1120   0.6867   4.4390   0.9005   3.7850   1.0370 0.6548000 1.373000 
1 1 1    2   24    5 o   9.2310   0.3564   9.4590   0.5185   9.0030   0.4891 0.4551000 0.7128000 
1 1 1    2   24    6 o   6.9870   0.4770   6.4070   0.7816   7.5670   0.5469 -1.160000 0.9540000 
1 1 1    2   24    7 o   10.560   0.3279   10.040   0.5174   11.080   0.4029 -1.042000 0.6558000 
1 1 1    2   24    8 o   4.7760   0.6566   4.5570   1.0340   4.9950   0.8091 -0.4371000 1.313000 
1 1 1    2   24    9 o   5.9820   0.5597   7.3460   0.6529   4.6170   0.9094 2.730000 1.119000 
1 1 1    2   24   10 o   3.5520   0.7557   3.9470   1.0910   3.1580   1.0460 0.7885000 1.511000 
1 1 1    2   24   11 o   9.2370   0.3506   10.030   0.4950   8.4470   0.4967 1.580000 0.7012000 
1 1 1    2   24   12 o   3.7300   0.8078   4.0450   1.1120   3.4150   1.1720 0.6300000 1.616000 
1 1 1    2   24   13 o   3.2170   0.9056   3.3550   1.3230   3.0780   1.2370 0.2774000 1.811000 
1 1 1    2   24   14 o   6.3020   0.7076   6.3570   1.1930   6.2470   0.7615 0.1106000 1.415000 
1 1 1    2   24   15 o   5.3950   0.6165   5.6240   0.8817   5.1650   0.8618 0.4590000 1.233000 
1 1 1    2   24   16 o   5.6120   0.6223   4.4130   1.0590   6.8100   0.6542 -2.397000 1.245000 
1 1 1    2   24   17 o   2.0660   0.6746   2.1740   0.9806   1.9580   0.9268 0.2159000 1.349000 
1 1 1    2   24   18 o   2.5960   0.7411   3.3260   1.1800   1.8660   0.8963 1.459000 1.482000 
1 1 1    2   24   19 o   3.6710   0.8384   4.0600   1.1660   3.2820   1.2050 0.7777000 1.677000 
1 1 1    2   24   20 o   2.1530   0.7230   1.9850   0.9724   2.3210   1.0700 -0.3359000 1.446000 
1 1 1    2   24   21 o   2.3000   0.7412   2.3960   1.0620   2.2040   1.0350 0.1919000 1.482000 
1 1 1    2   26    0 o   5.0690   0.5772   5.6520   0.7013   4.4860   0.9171 1.165000 1.154000 
1 1 1    2   26    1 o   5.1280   0.5613   4.9180   0.8244   5.3390   0.7620 -0.4213000 1.123000 
1 1 1    2   26    2 o   7.9200   0.3692   7.6300   0.5375   8.2090   0.5064 -0.5788000 0.7385000 
1 1 1    2   26    3 o   4.5420   0.6316   4.4720   0.9096   4.6120   0.8763 -0.1397000 1.263000 
1 1 1    2   26    4 o   3.4050   0.6837   4.3770   0.9351   2.4330   0.9976 1.944000 1.367000 
1 1 1    2   26    5 o   6.0670   0.5091   6.1780   0.7561   5.9570   0.6821 0.2211000 1.018000 
1 1 1    2   26    6 o   7.4750   0.4279   7.4940   0.6479   7.4560   0.5592 0.3837000E-01 0.8558000 
1 1 1    2   26    7 o   10.120   0.5423   8.9560   0.9005   11.290   0.6047 -2.333000 1.085000 
1 1 1    2   26    8 o   4.5060   0.8723   6.0570   1.2420   2.9550   1.2250 3.102000 1.745000 
1 1 1    2   26    9 o   10.920   0.4981   11.560   0.7403   10.270   0.6665 1.281000 0.9961000 
1 1 1    2   26   10 o   7.0370   0.5417   6.7010   0.8490   7.3720   0.6730 -0.6716000 1.083000 
1 1 1    2   26   11 o   4.7570   0.6793   4.4000   1.0610   5.1130   0.8491 -0.7133000 1.359000 
1 1 1    2   26   12 o   2.3120   0.7135   2.2870   1.0140   2.3370   1.0040 -0.5044000E-01 1.427000 
1 1 1    2   26   13 o   3.7070   0.7821   3.5370   1.1580   3.8770   1.0520 -0.3395000 1.564000 
1 1 1    2   26   14 o   2.1850   0.6895   2.4950   1.0640   1.8760   0.8767 0.6190000 1.379000 
1 1 1    2   26   15 o   6.0590   0.5842   5.3580   0.9678   6.7600   0.6545 -1.403000 1.168000 
1 1 1    2   26   16 o   2.8740   0.7873   2.6070   1.1050   3.1400   1.1220 -0.5330000 1.575000 
1 1 1    2   26   17 o   3.9900   0.8182   5.5080   1.2300   2.4730   1.0790 3.036000 1.636000 
1 1 1    2   26   18 o   2.1790   0.7033   1.9300   0.9181   2.4290   1.0660 -0.4986000 1.407000 
1 1 1    2   28    0 o   4.7780   0.6415   5.1910   0.8279   4.3640   0.9801 0.8274000 1.283000 
1 1 1    2   28    1 o   2.6550   0.6958   3.4250   1.0770   1.8840   0.8809 1.541000 1.392000 
1 1 1    2   28    2 o   5.2950   0.6008   5.8710   0.7480   4.7200   0.9403 1.151000 1.202000 
1 1 1    2   28    3 o   4.1050   0.7088   3.4140   1.0810   4.7960   0.9167 -1.382000 1.418000 
1 1 1    2   28    4 o   5.5030   0.5631   5.7680   0.7523   5.2370   0.8381 0.5317000 1.126000 
1 1 1    2   28    5 o   2.7570   0.7725   2.8900   1.1330   2.6240   1.0510 0.2658000 1.545000 
1 1 1    2   28    6 o   3.9140   0.7760   3.4450   1.1980   4.3840   0.9864 -0.9388000 1.552000 
1 1 1    2   28    7 o   5.9630   0.6377   6.9610   0.9206   4.9650   0.8828 1.995000 1.275000 
1 1 1    2   28    8 o   3.2500   0.7331   2.3680   1.0430   4.1320   1.0300 -1.764000 1.466000 
1 1 1    2   28    9 o   5.0700   0.6607   6.1120   0.8177   4.0280   1.0380 2.084000 1.321000 
1 1 1    2   28   10 f   2.0260   0.6606   1.9670   0.9305   2.0840   0.9381 -0.1173000 1.321000 
1 1 1    2   28   11 o   4.5470   0.7554   4.0340   1.2030   5.0590   0.9135 -1.025000 1.511000 
1 1 1    2   28   12 o   1.8340   0.6362   1.9340   0.9474   1.7340   0.8493 0.1998000 1.272000 
1 1 1    2   28   13 o   5.0020   0.8735   4.4020   1.3430   5.6020   1.1170 -1.200000 1.747000 
1 1 1    2   28   14 o   2.6740   0.8272   2.4440   1.1240   2.9040   1.2140 -0.4602000 1.654000 
1 1 1    2   28   15 o   3.5200   0.8296   4.1530   1.1910   2.8870   1.1550 1.266000 1.659000 
1 1 1    2   30    0 o   4.6560   0.6880   4.5120   0.9968   4.8000   0.9486 -0.2876000 1.376000 
1 1 1    2   30    1 o   1.9980   0.6514   2.2550   0.9977   1.7420   0.8378 0.5135000 1.303000 
1 1 1    2   30    2 o   2.5590   0.7361   2.9270   1.1040   2.1910   0.9739 0.7353000 1.472000 
1 1 1    2   30    3 f   3.8150   0.7696   4.1380   1.0630   3.4920   1.1130 0.6462000 1.539000 
1 1 1    2   30    4 o   3.1130   0.7786   3.1900   1.1060   3.0360   1.0960 0.1545000 1.557000 
1 1 1    2   30    5 o   3.3670   0.9209   3.4600   1.3330   3.2750   1.2710 0.1843000 1.842000 
1 1 1    2   30    6 o   2.5050   0.8050   2.3680   1.1150   2.6430   1.1610 -0.2750000 1.610000 
1 1 1    2   30    7 o   2.8110   0.8564   2.7770   1.2230   2.8460   1.1990 -0.6931000E-01 1.713000 
1 1 1    2   30    8 f   2.4400   0.7897   2.5130   1.1470   2.3670   1.0850 0.1463000 1.579000 
1 1 1    2   30    9 o   2.6650   0.7734   2.4720   1.0620   2.8590   1.1250 -0.3865000 1.547000 
1 1 1    2   30   10 o   2.9350   0.9644   3.1810   1.4400   2.6880   1.2830 0.4927000 1.929000 
1 1 1    3    1    0 o   35.060   0.2141   34.600   0.3467   35.510   0.2513 -0.9119000 0.4282000 
1 1 1    3    1    1 o   24.500   0.1450   24.720   0.2068   24.290   0.2033 0.4277000 0.2900000 
1 1 1    3    1    2 o   45.220   0.2615   45.680   0.3735   44.760   0.3660 0.9176000 0.5230000 
1 1 1    3    1    3 o   45.570   0.2949   44.820   0.4507   46.320   0.3805 -1.506000 0.5898000 
1 1 1    3    1    4 o   69.520   0.6041   69.970   0.9914   69.060   0.6906 0.9105000 1.208000 
1 1 1    3    1    5 o   15.690   0.1216   15.700   0.1721   15.670   0.1718 0.2902000E-01 0.2431000 
1 1 1    3    1    6 o  120.100   0.6447  120.200   0.8451  119.900   0.9738 0.3149000 1.289000 
1 1 1    3    1    7 o   88.800   0.4785   88.790   0.6263   88.810   0.7235 -0.2145000E-01 0.9570000 
1 1 1    3    1    8 o   28.580   0.1725   28.630   0.2257   28.540   0.2609 0.8535000E-01 0.3450000 
1 1 1    3    1    9 f   17.880   0.2257   17.670   0.2591   18.080   0.3697 -0.4065000 0.4515000 
1 1 1    3    1   10 o   19.650   0.1481   19.450   0.1927   19.840   0.2248 -0.3941000 0.2961000 
1 1 1    3    1   11 o   15.350   0.1529   15.400   0.1996   15.300   0.2317 0.1024000 0.3058000 
1 1 1    3    1   12 o   19.470   0.1592   19.440   0.2079   19.490   0.2411 -0.4838000E-01 0.3184000 
1 1 1    3    1   13 o   11.770   0.2039   11.900   0.2872   11.640   0.2895 0.2626000 0.4078000 
1 1 1    3    1   14 o   9.3790   0.2452   9.1650   0.3523   9.5930   0.3411 -0.4275000 0.4903000 
1 1 1    3    1   15 o   51.260   0.2916   51.270   0.3817   51.240   0.4408 0.2783000E-01 0.5831000 
1 1 1    3    1   16 o   34.000   0.2205   34.180   0.2898   33.810   0.3326 0.3654000 0.4411000 
1 1 1    3    1   17 o   36.820   0.3046   36.830   0.4299   36.810   0.4318 0.1243000E-01 0.6093000 
1 1 1    3    1   18 o   17.830   0.2193   17.640   0.2892   18.030   0.3297 -0.3919000 0.4386000 
1 1 1    3    1   19 o   16.940   0.2411   16.460   0.3170   17.420   0.3632 -0.9593000 0.4821000 
1 1 1    3    1   20 o   14.420   0.2585   14.510   0.3335   14.330   0.3949 0.1817000 0.5169000 
1 1 1    3    1   21 o   20.420   0.3519   20.700   0.4064   20.140   0.5747 0.5648000 0.7039000 
1 1 1    3    1   22 o   13.500   0.2630   13.360   0.3479   13.640   0.3946 -0.2751000 0.5260000 
1 1 1    3    1   23 o   15.800   0.2387   15.940   0.3143   15.670   0.3592 0.2611000 0.4773000 
1 1 1    3    1   24 o   3.8530   0.7396   4.1490   0.9580   3.5580   1.1270 0.5909000 1.479000 
1 1 1    3    1   25 o   2.1700   0.6806   2.2100   0.9581   2.1310   0.9668 0.7977000E-01 1.361000 
1 1 1    3    1   26 o   5.7390   0.5344   5.3490   0.7583   6.1290   0.7534 -0.7797000 1.069000 
1 1 1    3    1   27 o   3.0670   0.7564   2.6450   1.0200   3.4890   1.1170 -0.8441000 1.513000 
1 1 1    3    1   28 o   5.8810   0.5225   5.9650   0.6735   5.7970   0.7990 0.1683000 1.045000 
1 1 1    3    1   29 o   2.5240   0.7644   1.8970   0.9179   3.1500   1.2220 -1.253000 1.529000 
1 1 1    3    1   30 o   4.7810   0.7220   3.8710   1.1400   5.6920   0.8859 -1.821000 1.444000 
1 1 1    3    1   31 o   3.2440   0.8178   3.5590   1.1680   2.9290   1.1450 0.6304000 1.636000 
1 1 1    3    1   32 o   2.8910   0.7834   2.2860   1.0300   3.4950   1.1810 -1.209000 1.567000 
1 1 1    3    1   33 o   2.4110   0.8244   2.1960   1.0850   2.6260   1.2420 -0.4294000 1.649000 
1 1 1    3    3    0 o   26.760   0.1403   26.780   0.1985   26.740   0.1982 0.4398000E-01 0.2805000 
1 1 1    3    3    1 o   13.730   0.1151   13.760   0.1761   13.700   0.1481 0.5847000E-01 0.2301000 
1 1 1    3    3    2 o   19.080   0.1880   18.620   0.3007   19.550   0.2259 -0.9309000 0.3760000 
1 1 1    3    3    3 o   38.170   0.2781   38.010   0.3921   38.330   0.3946 -0.3214000 0.5563000 
1 1 1    3    3    4 o   34.140   0.2059   34.030   0.2904   34.260   0.2920 -0.2311000 0.4118000 
1 1 1    3    3    5 o   9.0930   0.1692   9.3960   0.2459   8.7890   0.2326 0.6064000 0.3385000 
1 1 1    3    3    6 o   60.900   0.3545   60.780   0.5006   61.010   0.5022 -0.2323000 0.7091000 
1 1 1    3    3    7 o   71.500   0.4146   71.510   0.5865   71.490   0.5863 0.2016000E-01 0.8293000 
1 1 1    3    3    8 o   44.150   0.3966   44.180   0.4595   44.120   0.6464 0.6443000E-01 0.7931000 
1 1 1    3    3    9 o   10.200   0.1757   10.360   0.2436   10.050   0.2533 0.3052000 0.3514000 
1 1 1    3    3   10 o   12.800   0.1687   12.570   0.2408   13.030   0.2363 -0.4576000 0.3374000 
1 1 1    3    3   11 o   43.100   0.2641   43.110   0.3734   43.100   0.3737 0.1315000E-01 0.5283000 
1 1 1    3    3   12 o   13.890   0.1808   14.010   0.2544   13.770   0.2569 0.2369000 0.3616000 
1 1 1    3    3   13 f   22.710   0.1705   22.780   0.2242   22.640   0.2568 0.1404000 0.3409000 
1 1 1    3    3   14 o   40.360   0.2383   40.200   0.3112   40.520   0.3609 -0.3248000 0.4766000 
1 1 1    3    3   15 o   41.200   0.2452   41.280   0.3216   41.130   0.3703 0.1552000 0.4904000 
1 1 1    3    3   16 o   27.970   0.2437   27.740   0.3066   28.200   0.3790 -0.4603000 0.4875000 
1 1 1    3    3   17 o   12.350   0.3359   12.390   0.4663   12.310   0.4835 0.7842000E-01 0.6717000 
1 1 1    3    3   18 o   66.160   0.3715   66.150   0.4861   66.170   0.5619 -0.1853000E-01 0.7430000 
1 1 1    3    3   19 o   17.550   0.2374   17.480   0.3113   17.620   0.3585 -0.1409000 0.4748000 
1 1 1    3    3   20 o   18.340   0.2260   18.270   0.2972   18.410   0.3406 -0.1446000 0.4521000 
1 1 1    3    3   21 o   15.780   0.3826   16.260   0.4464   15.300   0.6215 0.9623000 0.7652000 
1 1 1    3    3   22 o   12.250   0.2751   12.100   0.3642   12.400   0.4123 -0.3072000 0.5501000 
1 1 1    3    3   23 o   4.4850   0.6754   5.0470   0.8144   3.9230   1.0780 1.124000 1.351000 
1 1 1    3    3   24 o   5.7880   0.5253   5.7640   0.6953   5.8110   0.7875 -0.4704000E-01 1.051000 
1 1 1    3    3   25 o   5.4100   0.5739   5.4050   0.7369   5.4150   0.8801 -0.1019000E-01 1.148000 
1 1 1    3    3   26 o   1.9490   0.6297   2.1320   0.9315   1.7650   0.8477 0.3666000 1.259000 
1 1 1    3    3   27 o   1.6330   0.5616   1.4400   0.7114   1.8270   0.8691 -0.3869000 1.123000 
1 1 1    3    3   28 o   3.0450   0.7583   3.2960   1.0460   2.7950   1.0980 0.5014000 1.517000 
1 1 1    3    3   29 o   3.1230   0.8097   4.0640   1.2560   2.1810   1.0220 1.883000 1.619000 
1 1 1    3    3   30 o   3.4770   0.7881   2.8670   1.0840   4.0860   1.1440 -1.219000 1.576000 
1 1 1    3    3   31 o   2.0650   0.6733   1.7690   0.8466   2.3610   1.0470 -0.5917000 1.347000 
1 1 1    3    3   32 o   2.5210   0.7514   2.2810   1.0050   2.7610   1.1170 -0.4795000 1.503000 
1 1 1    3    3   33 o   2.1360   0.7254   2.1060   0.9780   2.1660   1.0720 -0.5969000E-01 1.451000 
1 1 1    3    5    0 o   15.120   0.1194   15.190   0.1809   15.060   0.1559 0.1273000 0.2388000 
1 1 1    3    5    1 o   22.720   0.1319   22.910   0.1875   22.540   0.1857 0.3633000 0.2639000 
1 1 1    3    5    2 o   40.580   0.2421   40.800   0.3439   40.360   0.3409 0.4317000 0.4842000 
1 1 1    3    5    3 o   65.100   0.3779   65.260   0.5357   64.950   0.5333 0.3136000 0.7559000 
1 1 1    3    5    4 o   61.330   0.3573   61.440   0.5062   61.220   0.5043 0.2197000 0.7145000 
1 1 1    3    5    5 o   85.380   0.4930   85.080   0.6948   85.670   0.6997 -0.5876000 0.9860000 
1 1 1    3    5    6 o   72.210   0.4195   72.210   0.5932   72.200   0.5933 0.5272000E-02 0.8390000 
1 1 1    3    5    7 o   32.580   0.3110   32.140   0.3592   33.030   0.5079 -0.8938000 0.6220000 
1 1 1    3    5    8 o   34.490   0.2179   34.270   0.3065   34.710   0.3097 -0.4423000 0.4357000 
1 1 1    3    5    9 o   16.930   0.1639   16.790   0.2320   17.080   0.2317 -0.2897000 0.3279000 
1 1 1    3    5   10 o   27.170   0.2146   26.930   0.3334   27.400   0.2703 -0.4722000 0.4292000 
1 1 1    3    5   11 o   3.5390   0.5476   3.8320   0.7313   3.2460   0.8153 0.5861000 1.095000 
1 1 1    3    5   12 o   35.890   0.2322   35.870   0.3285   35.900   0.3282 -0.2652000E-01 0.4644000 
1 1 1    3    5   13 o   26.290   0.1961   26.300   0.2775   26.270   0.2770 0.2407000E-01 0.3921000 
1 1 1    3    5   14 o   47.800   0.2944   47.610   0.4151   47.990   0.4174 -0.3829000 0.5887000 
1 1 1    3    5   15 o   14.650   0.2350   14.480   0.3336   14.830   0.3310 -0.3563000 0.4699000 
1 1 1    3    5   16 o   4.8770   0.8578   4.6790   1.3590   5.0740   1.0480 -0.3959000 1.716000 
1 1 1    3    5   17 o   5.1130   0.6442   5.7890   0.7961   4.4380   1.0130 1.352000 1.288000 
1 1 1    3    5   18 o   13.090   0.2790   13.500   0.3551   12.690   0.4306 0.8123000 0.5581000 
1 1 1    3    5   19 o   15.940   0.2483   16.060   0.3226   15.830   0.3777 0.2308000 0.4967000 
1 1 1    3    5   20 o   10.010   0.3310   10.070   0.4326   9.9420   0.5012 0.1268000 0.6620000 
1 1 1    3    5   21 o   14.120   0.3987   14.300   0.4754   13.930   0.6401 0.3700000 0.7973000 
1 1 1    3    5   22 o   7.4610   0.4098   7.2350   0.5581   7.6860   0.6003 -0.4502000 0.8197000 
1 1 1    3    5   23 o   7.4480   0.4106   7.8480   0.5171   7.0480   0.6378 0.7996000 0.8211000 
1 1 1    3    5   24 o   10.790   0.2989   10.980   0.3873   10.600   0.4553 0.3804000 0.5978000 
1 1 1    3    5   25 o   3.7490   0.7280   2.9990   1.0510   4.4990   1.0080 -1.500000 1.456000 
1 1 1    3    5   26 o   5.3950   0.5698   5.3040   0.7599   5.4860   0.8493 -0.1829000 1.140000 
1 1 1    3    5   27 o   3.2380   0.7573   3.5630   1.0260   2.9130   1.1140 0.6501000 1.515000 
1 1 1    3    5   28 o   4.4220   0.8385   5.1070   1.0830   3.7380   1.2800 1.369000 1.677000 
1 1 1    3    5   29 o   6.6640   0.4879   6.7030   0.6331   6.6250   0.7425 0.7808000E-01 0.9758000 
1 1 1    3    5   30 o   4.3120   0.7358   3.5310   1.0940   5.0930   0.9837 -1.561000 1.472000 
1 1 1    3    5   31 o   5.4190   0.6440   5.0680   0.9150   5.7700   0.9065 -0.7019000 1.288000 
1 1 1    3    5   32 o   3.0640   0.9249   3.3050   1.3230   2.8230   1.2930 0.4821000 1.850000 
1 1 1    3    5   33 o   3.2430   0.7343   4.2550   1.0610   2.2310   1.0160 2.024000 1.469000 
1 1 1    3    7    0 o   59.620   0.3023   59.540   0.4270   59.710   0.4280 -0.1692000 0.6046000 
1 1 1    3    7    1 o   37.430   0.1987   37.500   0.2813   37.370   0.2808 0.1314000 0.3975000 
1 1 1    3    7    2 o   50.130   0.2781   50.530   0.3669   49.720   0.4180 0.8124000 0.5562000 
1 1 1    3    7    3 o   58.160   0.3197   57.860   0.4812   58.470   0.4212 -0.6126000 0.6395000 
1 1 1    3    7    4 o   41.950   0.3815   41.730   0.4401   42.160   0.6233 -0.4268000 0.7630000 
1 1 1    3    7    5 o   26.890   0.2722   26.760   0.3183   27.010   0.4416 -0.2500000 0.5444000 
1 1 1    3    7    6 o   28.110   0.1899   28.130   0.2679   28.080   0.2693 0.4399000E-01 0.3798000 
1 1 1    3    7    7 o   38.510   0.2407   38.640   0.3403   38.380   0.3407 0.2610000 0.4815000 
1 1 1    3    7    8 o   24.030   0.1805   24.020   0.2548   24.050   0.2558 -0.3212000E-01 0.3611000 
1 1 1    3    7    9 o   49.710   0.3008   49.600   0.4245   49.810   0.4263 -0.2124000 0.6016000 
1 1 1    3    7   10 o   17.010   0.1817   16.570   0.2596   17.460   0.2543 -0.8906000 0.3634000 
1 1 1    3    7   11 o   36.680   0.2381   36.830   0.3381   36.540   0.3353 0.2878000 0.4762000 
1 1 1    3    7   12 o   42.320   0.2656   42.280   0.3754   42.370   0.3758 -0.9506000E-01 0.5312000 
1 1 1    3    7   13 f   37.510   0.2453   37.410   0.3465   37.620   0.3474 -0.2078000 0.4907000 
1 1 1    3    7   14 o   14.770   0.2331   14.780   0.3318   14.760   0.3276 0.1916000E-01 0.4662000 
1 1 1    3    7   15 o   16.620   0.3301   16.890   0.5214   16.350   0.4049 0.5367000 0.6602000 
1 1 1    3    7   16 o   4.0940   0.6931   2.9210   1.0970   5.2660   0.8473 -2.345000 1.386000 
1 1 1    3    7   17 o   16.240   0.2573   15.840   0.3722   16.640   0.3553 -0.8045000 0.5145000 
1 1 1    3    7   18 o   21.900   0.2347   22.160   0.3346   21.640   0.3293 0.5159000 0.4694000 
1 1 1    3    7   19 o   15.390   0.2630   15.520   0.3705   15.260   0.3734 0.2521000 0.5260000 
1 1 1    3    7   20 o   12.990   0.4192   13.120   0.5151   12.870   0.6615 0.2472000 0.8384000 
1 1 1    3    7   21 o   9.1560   0.3770   8.3180   0.5735   9.9930   0.4895 -1.674000 0.7540000 
1 1 1    3    7   22 f   5.1160   0.6126   4.9120   0.8440   5.3200   0.8882 -0.4080000 1.225000 
1 1 1    3    7   23 o   5.0630   0.6035   4.4460   0.8864   5.6800   0.8191 -1.234000 1.207000 
1 1 1    3    7   24 o   8.3270   0.3779   8.8610   0.4651   7.7940   0.5957 1.067000 0.7558000 
1 1 1    3    7   25 o   13.830   0.2575   14.230   0.3290   13.420   0.3962 0.8009000 0.5150000 
1 1 1    3    7   26 o   1.6540   0.5678   1.5090   0.7397   1.7990   0.8617 -0.2901000 1.136000 
1 1 1    3    7   27 o   5.0270   0.6173   5.0600   0.8010   4.9940   0.9394 0.6598000E-01 1.235000 
1 1 1    3    7   28 o   2.5500   0.7894   2.1110   0.9914   2.9880   1.2290 -0.8766000 1.579000 
1 1 1    3    7   29 o   10.530   0.3315   10.340   0.4451   10.710   0.4915 -0.3685000 0.6631000 
1 1 1    3    7   30 o   3.1720   0.7531   2.2700   0.9868   4.0750   1.1380 -1.805000 1.506000 
1 1 1    3    7   31 o   3.0080   0.7995   2.9530   1.1050   3.0630   1.1560 -0.1108000 1.599000 
1 1 1    3    7   32 f   3.4050   0.9840   3.0450   1.2800   3.7650   1.4950 -0.7204000 1.968000 
1 1 1    3    9    0 o   34.020   0.2182   34.080   0.3089   33.960   0.3082 0.1234000 0.4364000 
1 1 1    3    9    1 o   26.860   0.1877   26.980   0.2659   26.750   0.2651 0.2353000 0.3755000 
1 1 1    3    9    2 f   55.370   0.2851   55.150   0.4015   55.590   0.4049 -0.4377000 0.5702000 
1 1 1    3    9    3 o   13.520   0.1634   13.260   0.2461   13.790   0.2150 -0.5309000 0.3268000 
1 1 1    3    9    4 o   21.570   0.1809   21.800   0.2918   21.350   0.2140 0.4480000 0.3618000 
1 1 1    3    9    5 o   26.820   0.1911   26.980   0.2701   26.660   0.2705 0.3235000 0.3822000 
1 1 1    3    9    6 o   11.940   0.1971   12.070   0.2772   11.810   0.2801 0.2582000 0.3941000 
1 1 1    3    9    7 o   19.650   0.1773   19.760   0.2503   19.530   0.2512 0.2298000 0.3546000 
1 1 1    3    9    8 o   18.800   0.1809   18.840   0.2549   18.760   0.2567 0.8110000E-01 0.3618000 
1 1 1    3    9    9 o   20.610   0.1877   20.680   0.2627   20.540   0.2683 0.1357000 0.3755000 
1 1 1    3    9   10 o   26.770   0.2009   27.010   0.2852   26.530   0.2829 0.4833000 0.4017000 
1 1 1    3    9   11 o   34.280   0.2310   33.690   0.3229   34.860   0.3305 -1.172000 0.4620000 
1 1 1    3    9   12 f   56.110   0.3398   56.100   0.4808   56.130   0.4802 -0.3001000E-01 0.6796000 
1 1 1    3    9   13 o   28.330   0.2198   28.470   0.3146   28.190   0.3070 0.2765000 0.4396000 
1 1 1    3    9   14 o   27.550   0.3229   27.770   0.5197   27.330   0.3832 0.4352000 0.6458000 
1 1 1    3    9   15 f   42.580   0.2780   42.670   0.3959   42.490   0.3904 0.1816000 0.5560000 
1 1 1    3    9   16 o   10.990   0.3306   10.810   0.4729   11.170   0.4622 -0.3614000 0.6613000 
1 1 1    3    9   17 o   17.120   0.2512   17.440   0.3543   16.810   0.3562 0.6342000 0.5024000 
1 1 1    3    9   18 o   1.9870   0.6563   1.9800   0.9240   1.9940   0.9322 -0.1402000E-01 1.313000 
1 1 1    3    9   19 o   9.0150   0.5604   9.0430   0.6967   8.9860   0.8781 0.5712000E-01 1.121000 
1 1 1    3    9   20 o   12.640   0.2929   12.500   0.4156   12.780   0.4128 -0.2716000 0.5857000 
1 1 1    3    9   21 o   21.320   0.2338   21.510   0.3321   21.130   0.3292 0.3809000 0.4676000 
1 1 1    3    9   22 f   5.3550   0.6235   5.8640   0.8034   4.8450   0.9538 1.019000 1.247000 
1 1 1    3    9   23 o   5.4400   0.6288   6.5200   0.7067   4.3610   1.0400 2.159000 1.258000 
1 1 1    3    9   24 o   3.0250   0.7826   3.0430   1.1090   3.0070   1.1040 0.3566000E-01 1.565000 
1 1 1    3    9   25 o   3.9080   0.7788   3.8990   1.1120   3.9170   1.0900 -0.1717000E-01 1.558000 
1 1 1    3    9   26 o   3.6160   0.7614   3.6670   1.0360   3.5640   1.1160 0.1026000 1.523000 
1 1 1    3    9   27 o   6.5170   0.6550   5.9310   0.9666   7.1020   0.8841 -1.171000 1.310000 
1 1 1    3    9   28 o   5.9110   0.5724   6.1920   0.7077   5.6300   0.8998 0.5622000 1.145000 
1 1 1    3    9   29 o   2.0230   0.6434   2.5550   1.0490   1.4910   0.7459 1.063000 1.287000 
1 1 1    3    9   30 o   7.3370   0.4830   7.4570   0.6460   7.2160   0.7183 0.2404000 0.9660000 
1 1 1    3    9   31 o   2.4190   0.8087   1.9550   0.9426   2.8830   1.3140 -0.9274000 1.617000 
1 1 1    3    9   32 o   3.7550   0.8476   3.4810   1.2000   4.0280   1.1980 -0.5469000 1.695000 
1 1 1    3   11    0 o   29.330   0.1779   29.490   0.2520   29.160   0.2511 0.3321000 0.3558000 
1 1 1    3   11    1 o   17.970   0.1569   17.960   0.2215   17.980   0.2223 -0.2895000E-01 0.3138000 
1 1 1    3   11    2 o   13.950   0.1693   14.200   0.2379   13.710   0.2410 0.4833000 0.3387000 
1 1 1    3   11    3 o   22.760   0.1744   23.040   0.2628   22.490   0.2294 0.5520000 0.3488000 
1 1 1    3   11    4 o   9.5800   0.2330   9.5340   0.3527   9.6260   0.3044 -0.9205000E-01 0.4659000 
1 1 1    3   11    5 o   34.390   0.2138   34.410   0.3226   34.380   0.2806 0.2896000E-01 0.4275000 
1 1 1    3   11    6 o   33.600   0.2261   33.640   0.3198   33.560   0.3196 0.7489000E-01 0.4522000 
1 1 1    3   11    7 o   25.170   0.2189   25.580   0.3350   24.750   0.2817 0.8284000 0.4377000 
1 1 1    3   11    8 o   31.200   0.2457   30.800   0.3790   31.610   0.3127 -0.8139000 0.4914000 
1 1 1    3   11    9 o   40.550   0.2607   40.460   0.3681   40.640   0.3693 -0.1761000 0.5214000 
1 1 1    3   11   10 o   25.160   0.2081   25.270   0.2931   25.040   0.2954 0.2339000 0.4162000 
1 1 1    3   11   11 o   28.420   0.2199   28.480   0.3107   28.350   0.3113 0.1302000 0.4399000 
1 1 1    3   11   12 o   32.350   0.3474   32.030   0.5584   32.670   0.4135 -0.6356000 0.6948000 
1 1 1    3   11   13 o   23.320   0.2391   23.020   0.3661   23.620   0.3076 -0.6053000 0.4781000 
1 1 1    3   11   14 o   20.680   0.2259   20.390   0.3239   20.980   0.3149 -0.5811000 0.4518000 
1 1 1    3   11   15 o   26.910   0.2312   26.950   0.3286   26.870   0.3252 0.7673000E-01 0.4624000 
1 1 1    3   11   16 o   22.830   0.2346   22.910   0.3382   22.740   0.3253 0.1695000 0.4692000 
1 1 1    3   11   17 o   2.5720   0.7621   2.4520   1.0610   2.6920   1.0940 -0.2398000 1.524000 
1 1 1    3   11   18 o   7.5620   0.6704   7.2740   0.9330   7.8490   0.9629 -0.5749000 1.341000 
1 1 1    3   11   19 o   16.600   0.2521   16.400   0.3612   16.800   0.3517 -0.3989000 0.5041000 
1 1 1    3   11   20 o   15.220   0.2603   15.170   0.3697   15.260   0.3665 -0.8730000E-01 0.5206000 
1 1 1    3   11   21 o   10.050   0.3445   9.6350   0.5067   10.460   0.4670 -0.8240000 0.6891000 
1 1 1    3   11   22 o   4.7970   0.6684   6.0910   0.7385   3.5020   1.1140 2.589000 1.337000 
1 1 1    3   11   23 o   8.2450   0.3952   8.5170   0.5377   7.9730   0.5794 0.5443000 0.7904000 
1 1 1    3   11   24 o   5.6590   0.5753   5.5200   0.8312   5.7990   0.7955 -0.2792000 1.151000 
1 1 1    3   11   25 o   7.7370   0.4252   7.2800   0.6435   8.1930   0.5561 -0.9132000 0.8505000 
1 1 1    3   11   26 o   2.8570   0.7851   3.7350   1.2440   1.9790   0.9582 1.756000 1.570000 
1 1 1    3   11   27 o   2.6980   0.7879   3.1040   1.2040   2.2910   1.0170 0.8131000 1.576000 
1 1 1    3   11   28 o   5.9600   0.6118   6.0940   0.8554   5.8250   0.8749 0.2687000 1.224000 
1 1 1    3   11   29 o   3.1070   0.7438   3.9160   1.0740   2.2980   1.0290 1.617000 1.488000 
1 1 1    3   11   30 o   3.9810   0.8965   3.7290   1.2520   4.2340   1.2830 -0.5051000 1.793000 
1 1 1    3   11   31 o   1.9530   0.6636   2.0880   0.9758   1.8180   0.8995 0.2706000 1.327000 
1 1 1    3   13    0 o   8.9190   0.2510   9.4570   0.3331   8.3810   0.3757 1.076000 0.5021000 
1 1 1    3   13    1 o   18.310   0.1703   18.500   0.2398   18.120   0.2420 0.3790000 0.3406000 
1 1 1    3   13    2 o   33.230   0.2280   33.340   0.3238   33.110   0.3212 0.2322000 0.4561000 
1 1 1    3   13    3 o   32.650   0.1957   32.730   0.2764   32.570   0.2771 0.1548000 0.3914000 
1 1 1    3   13    4 o   38.890   0.2371   39.050   0.3591   38.720   0.3097 0.3219000 0.4742000 
1 1 1    3   13    5 o   47.920   0.2789   48.240   0.4236   47.590   0.3629 0.6493000 0.5578000 
1 1 1    3   13    6 o   5.8330   0.4230   6.6330   0.5513   5.0330   0.6417 1.600000 0.8460000 
1 1 1    3   13    7 o   4.7370   0.5524   4.9890   0.7308   4.4860   0.8286 0.5036000 1.105000 
1 1 1    3   13    8 o   29.270   0.2215   29.280   0.3125   29.250   0.3140 0.3035000E-01 0.4430000 
1 1 1    3   13    9 o   34.100   0.3549   33.670   0.5710   34.530   0.4215 -0.8611000 0.7097000 
1 1 1    3   13   10 o   33.720   0.3568   33.710   0.5770   33.740   0.4200 -0.3341000E-01 0.7137000 
1 1 1    3   13   11 o   8.5780   0.3695   8.3620   0.5237   8.7940   0.5215 -0.4319000 0.7391000 
1 1 1    3   13   12 o   14.210   0.2689   14.200   0.3737   14.230   0.3868 -0.2817000E-01 0.5379000 
1 1 1    3   13   13 o   34.730   0.2521   34.760   0.3583   34.710   0.3547 0.5801000E-01 0.5042000 
1 1 1    3   13   14 o   11.420   0.3240   11.250   0.4627   11.590   0.4536 -0.3336000 0.6479000 
1 1 1    3   13   15 o   13.030   0.2892   13.390   0.4019   12.670   0.4161 0.7216000 0.5785000 
1 1 1    3   13   16 o   10.340   0.4949   9.6820   0.6658   11.000   0.7325 -1.323000 0.9899000 
1 1 1    3   13   17 o   14.280   0.3180   14.840   0.4420   13.720   0.4571 1.118000 0.6359000 
1 1 1    3   13   18 o   12.180   0.2999   12.210   0.4278   12.150   0.4204 0.5971000E-01 0.5998000 
1 1 1    3   13   19 o   7.7130   0.4254   7.5040   0.6246   7.9210   0.5777 -0.4168000 0.8508000 
1 1 1    3   13   20 o   10.340   0.3337   10.310   0.4788   10.380   0.4649 -0.6770000E-01 0.6674000 
1 1 1    3   13   21 o   8.8710   0.3852   9.6780   0.5124   8.0630   0.5754 1.615000 0.7705000 
1 1 1    3   13   22 o   4.4500   0.7116   5.0160   0.9214   3.8830   1.0850 1.133000 1.423000 
1 1 1    3   13   23 o   2.6430   0.7288   2.0370   0.9440   3.2490   1.1110 -1.213000 1.458000 
1 1 1    3   13   24 o   3.3110   0.7581   4.1230   1.1050   2.4990   1.0380 1.624000 1.516000 
1 1 1    3   13   25 o   2.8790   0.8310   3.4420   1.2670   2.3160   1.0750 1.127000 1.662000 
1 1 1    3   13   26 o   4.6190   0.7480   5.9460   0.9412   3.2930   1.1630 2.653000 1.496000 
1 1 1    3   13   27 o   2.7010   0.7853   2.6840   1.1150   2.7170   1.1060 -0.3336000E-01 1.571000 
1 1 1    3   13   28 o   2.8710   0.8066   2.8880   1.1510   2.8530   1.1300 0.3470000E-01 1.613000 
1 1 1    3   13   29 o   2.3140   0.7542   1.9860   0.9737   2.6420   1.1520 -0.6554000 1.508000 
1 1 1    3   13   30 o   3.3900   0.8609   2.8330   1.1340   3.9460   1.2950 -1.113000 1.722000 
1 1 1    3   15    0 o   20.010   0.1819   19.820   0.2576   20.190   0.2570 -0.3694000 0.3639000 
1 1 1    3   15    1 o   21.540   0.1816   21.600   0.2571   21.490   0.2565 0.1074000 0.3632000 
1 1 1    3   15    2 o   39.420   0.2258   39.540   0.3201   39.310   0.3187 0.2247000 0.4517000 
1 1 1    3   15    3 o   21.460   0.1820   21.550   0.2559   21.370   0.2590 0.1841000 0.3641000 
1 1 1    3   15    4 o   14.370   0.2583   14.630   0.3909   14.100   0.3378 0.5279000 0.5166000 
1 1 1    3   15    5 o   16.110   0.3306   15.560   0.5287   16.660   0.3970 -1.104000 0.6612000 
1 1 1    3   15    6 o   25.980   0.3220   25.680   0.5156   26.290   0.3858 -0.6038000 0.6439000 
1 1 1    3   15    7 o   23.090   0.3229   23.060   0.5183   23.120   0.3853 -0.6205000E-01 0.6458000 
1 1 1    3   15    8 o   40.170   0.2524   40.220   0.3816   40.120   0.3305 0.1037000 0.5048000 
1 1 1    3   15    9 o   20.390   0.2267   20.080   0.3219   20.700   0.3193 -0.6150000 0.4534000 
1 1 1    3   15   10 o   8.0400   0.4338   8.2460   0.5801   7.8350   0.6450 0.4114000 0.8675000 
1 1 1    3   15   11 o   17.630   0.2496   17.560   0.3466   17.700   0.3593 -0.1354000 0.4992000 
1 1 1    3   15   12 o   10.250   0.3516   9.6570   0.5135   10.850   0.4804 -1.191000 0.7032000 
1 1 1    3   15   13 o   22.430   0.2365   22.150   0.3320   22.710   0.3370 -0.5675000 0.4730000 
1 1 1    3   15   14 o   4.2220   0.9187   5.1510   1.2350   3.2920   1.3600 1.858000 1.837000 
1 1 1    3   15   15 o   12.930   0.3210   13.160   0.4160   12.690   0.4890 0.4771000 0.6420000 
1 1 1    3   15   16 o   4.4160   0.7448   4.3150   1.0650   4.5170   1.0420 -0.2022000 1.490000 
1 1 1    3   15   17 o   9.8240   0.3561   10.010   0.4950   9.6400   0.5122 0.3680000 0.7123000 
1 1 1    3   15   18 o   3.0230   0.7730   3.4590   1.1220   2.5860   1.0640 0.8734000 1.546000 
1 1 1    3   15   19 o   9.5560   0.3545   9.7970   0.5009   9.3150   0.5017 0.4819000 0.7090000 
1 1 1    3   15   20 o   6.9840   0.4762   6.4850   0.7336   7.4830   0.6072 -0.9977000 0.9523000 
1 1 1    3   15   21 o   9.5950   0.3536   9.2820   0.5292   9.9090   0.4691 -0.6272000 0.7072000 
1 1 1    3   15   22 o   13.630   0.2822   13.290   0.4066   13.970   0.3915 -0.6767000 0.5645000 
1 1 1    3   15   23 f   3.5420   0.7363   4.5100   1.0250   2.5740   1.0570 1.936000 1.473000 
1 1 1    3   15   24 f   3.6550   0.9522   3.4560   1.3740   3.8550   1.3190 -0.3988000 1.904000 
1 1 1    3   15   25 o   2.5850   0.7597   2.2700   1.0170   2.9010   1.1290 -0.6306000 1.519000 
1 1 1    3   15   26 o   1.7930   0.6137   1.7820   0.8680   1.8040   0.8679 -0.2193000E-01 1.227000 
1 1 1    3   15   27 f   2.7790   0.7998   2.8080   1.1520   2.7510   1.1100 0.5685000E-01 1.600000 
1 1 1    3   15   28 o   10.010   0.5073   9.6800   0.8013   10.340   0.6223 -0.6599000 1.015000 
1 1 1    3   15   29 o   2.0350   0.6864   1.9150   0.9203   2.1550   1.0190 -0.2395000 1.373000 
1 1 1    3   17    0 f   19.170   0.1985   19.270   0.2795   19.060   0.2818 0.2061000 0.3969000 
1 1 1    3   17    1 o   32.590   0.2095   32.470   0.2946   32.710   0.2981 -0.2411000 0.4191000 
1 1 1    3   17    2 o   11.870   0.2565   11.880   0.3604   11.860   0.3650 0.2350000E-01 0.5129000 
1 1 1    3   17    3 o   30.640   0.2234   30.390   0.3365   30.890   0.2939 -0.5002000 0.4468000 
1 1 1    3   17    4 o   35.590   0.2377   35.580   0.3593   35.590   0.3115 -0.1241000E-01 0.4755000 
1 1 1    3   17    5 o   10.600   0.3121   10.200   0.4877   11.010   0.3896 -0.8107000 0.6243000 
1 1 1    3   17    6 o   25.030   0.2174   25.050   0.3292   25.010   0.2841 0.4125000E-01 0.4348000 
1 1 1    3   17    7 o   7.2500   0.4436   7.1080   0.6705   7.3910   0.5810 -0.2828000 0.8872000 
1 1 1    3   17    8 o   13.080   0.2724   13.200   0.4044   12.970   0.3652 0.2338000 0.5449000 
1 1 1    3   17    9 o   3.2030   0.7677   3.8520   1.1340   2.5550   1.0350 1.297000 1.535000 
1 1 1    3   17   10 o   24.950   0.2337   24.850   0.3294   25.050   0.3317 -0.2002000 0.4675000 
1 1 1    3   17   11 o   10.190   0.5203   10.810   0.6116   9.5580   0.8419 1.255000 1.041000 
1 1 1    3   17   12 o   9.0130   0.5877   9.9930   0.6386   8.0320   0.9868 1.961000 1.175000 
1 1 1    3   17   13 o   17.990   0.2522   18.080   0.3484   17.910   0.3647 0.1664000 0.5044000 
1 1 1    3   17   14 o   3.8110   0.7764   4.4030   1.0220   3.2200   1.1690 1.183000 1.553000 
1 1 1    3   17   15 o   13.090   0.2922   12.920   0.4096   13.270   0.4168 -0.3433000 0.5844000 
1 1 1    3   17   16 o   16.550   0.2559   15.970   0.3697   17.140   0.3537 -1.173000 0.5117000 
1 1 1    3   17   17 o   10.480   0.3358   10.350   0.4769   10.600   0.4728 -0.2428000 0.6716000 
1 1 1    3   17   18 o   3.6670   0.7928   3.8530   1.1050   3.4810   1.1370 0.3714000 1.586000 
1 1 1    3   17   19 o   3.2820   0.7507   2.4780   1.0430   4.0870   1.0790 -1.609000 1.501000 
1 1 1    3   17   20 o   14.260   0.2778   14.090   0.3948   14.440   0.3910 -0.3534000 0.5556000 
1 1 1    3   17   21 o   5.6370   0.6136   4.5720   1.0120   6.7020   0.6940 -2.130000 1.227000 
1 1 1    3   17   22 o   14.080   0.3673   14.070   0.5169   14.090   0.5221 -0.1113000E-01 0.7347000 
1 1 1    3   17   23 o   4.0290   0.8374   4.2320   1.2380   3.8250   1.1280 0.4069000 1.675000 
1 1 1    3   17   24 o   2.4460   0.7455   2.4170   1.0500   2.4760   1.0590 -0.5954000E-01 1.491000 
1 1 1    3   17   25 o   2.3670   0.7332   2.5840   1.0940   2.1510   0.9759 0.4330000 1.466000 
1 1 1    3   17   26 o   3.7020   0.8273   3.3490   1.1910   4.0550   1.1490 -0.7064000 1.655000 
1 1 1    3   17   27 o   4.3680   0.9088   3.5520   1.3490   5.1840   1.2180 -1.632000 1.818000 
1 1 1    3   17   28 o   3.8460   0.8780   3.8610   1.1930   3.8300   1.2890 0.3166000E-01 1.756000 
1 1 1    3   19    0 f   16.650   0.2360   16.760   0.3471   16.530   0.3197 0.2350000 0.4719000 
1 1 1    3   19    1 o   10.170   0.3074   9.6750   0.4430   10.660   0.4264 -0.9900000 0.6149000 
1 1 1    3   19    2 o   11.500   0.2761   11.470   0.3858   11.520   0.3950 -0.4507000E-01 0.5522000 
1 1 1    3   19    3 o   19.180   0.2104   19.060   0.2972   19.300   0.2981 -0.2485000 0.4209000 
1 1 1    3   19    4 o   4.5330   0.6516   4.3880   0.9344   4.6790   0.9084 -0.2907000 1.303000 
1 1 1    3   19    5 f   11.550   0.3034   11.780   0.4495   11.310   0.4076 0.4685000 0.6068000 
1 1 1    3   19    6 o   5.6420   0.7787   6.9110   0.9563   4.3740   1.2290 2.537000 1.557000 
1 1 1    3   19    7 o   4.4600   0.8495   5.4160   1.1560   3.5040   1.2450 1.912000 1.699000 
1 1 1    3   19    8 o   10.880   0.4093   11.530   0.5686   10.240   0.5890 1.296000 0.8187000 
1 1 1    3   19    9 o   12.710   0.2810   12.790   0.4200   12.620   0.3735 0.1711000 0.5621000 
1 1 1    3   19   10 o   14.870   0.2489   15.010   0.3720   14.740   0.3308 0.2658000 0.4978000 
1 1 1    3   19   11 o   2.7000   0.7595   2.9210   1.1290   2.4800   1.0160 0.4409000 1.519000 
1 1 1    3   19   12 o   8.3390   0.4106   8.1810   0.5953   8.4970   0.5657 -0.3161000 0.8212000 
1 1 1    3   19   13 o   16.300   0.2669   15.660   0.3866   16.940   0.3682 -1.282000 0.5339000 
1 1 1    3   19   14 o   6.4240   0.5464   5.6330   0.8453   7.2150   0.6926 -1.582000 1.093000 
1 1 1    3   19   15 o   7.6290   0.4533   7.5070   0.6236   7.7520   0.6581 -0.2448000 0.9067000 
1 1 1    3   19   16 o   7.5280   0.4678   7.1560   0.6734   7.9000   0.6496 -0.7443000 0.9357000 
1 1 1    3   19   17 o   3.9570   0.7672   4.3120   1.0450   3.6030   1.1240 0.7098000 1.534000 
1 1 1    3   19   18 o   3.5370   0.7460   4.3980   1.0360   2.6760   1.0740 1.723000 1.492000 
1 1 1    3   19   19 o   13.700   0.2862   13.640   0.4045   13.770   0.4049 -0.1282000 0.5723000 
1 1 1    3   19   20 f   5.6520   0.7759   5.4960   1.1000   5.8080   1.0940 -0.3120000 1.552000 
1 1 1    3   19   21 o   5.0450   1.0000  ?   ?    5.0450   1.0000      ?      ? 
1 1 1    3   19   22 o   2.8520   0.7960   2.8110   1.1190   2.8930   1.1320 -0.8234000E-01 1.592000 
1 1 1    3   19   23 o   2.8090   0.7829   3.2490   1.1720   2.3680   1.0390 0.8809000 1.566000 
1 1 1    3   19   24 o   2.5770   0.7576   2.1510   0.9821   3.0030   1.1540 -0.8516000 1.515000 
1 1 1    3   19   25 o   3.4690   0.7843   2.0470   0.9979   4.8910   1.2100 -2.844000 1.569000 
1 1 1    3   19   26 o   2.7860   0.8192   2.7410   1.1290   2.8310   1.1880 -0.8985000E-01 1.638000 
1 1 1    3   21    0 o   13.910   0.2713   14.030   0.3564   13.790   0.4092 0.2360000 0.5426000 
1 1 1    3   21    1 o   14.810   0.2391   15.000   0.3339   14.620   0.3422 0.3835000 0.4781000 
1 1 1    3   21    2 o   20.460   0.2104   20.500   0.2951   20.410   0.3000 0.9841000E-01 0.4208000 
1 1 1    3   21    3 o   15.330   0.2320   15.200   0.3261   15.460   0.3302 -0.2560000 0.4641000 
1 1 1    3   21    4 o   9.8700   0.3141   9.4150   0.4597   10.330   0.4280 -0.9105000 0.6281000 
1 1 1    3   21    5 o   16.790   0.2428   16.890   0.3704   16.700   0.3139 0.1948000 0.4855000 
1 1 1    3   21    6 o   9.0670   0.3761   9.1050   0.5834   9.0300   0.4748 0.7463000E-01 0.7522000 
1 1 1    3   21    7 o   9.1280   0.3689   8.8050   0.5800   9.4520   0.4559 -0.6470000 0.7378000 
1 1 1    3   21    8 o   12.160   0.2907   12.030   0.4462   12.290   0.3728 -0.2548000 0.5815000 
1 1 1    3   21    9 o   6.0510   0.5246   6.3290   0.7677   5.7720   0.7152 0.5570000 1.049000 
1 1 1    3   21   10 o   3.4330   0.7613   3.6660   1.1060   3.1990   1.0470 0.4675000 1.523000 
1 1 1    3   21   11 o   7.0990   0.4425   7.4560   0.6358   6.7430   0.6157 0.7131000 0.8850000 
1 1 1    3   21   12 o   11.220   0.3042   11.040   0.4669   11.410   0.3901 -0.3713000 0.6084000 
1 1 1    3   21   13 o   7.4950   0.4213   7.4260   0.6362   7.5640   0.5523 -0.1378000 0.8425000 
1 1 1    3   21   14 o   2.7970   0.7737   2.8550   1.1040   2.7400   1.0840 0.1150000 1.547000 
1 1 1    3   21   15 o   14.940   0.2768   14.900   0.3944   14.990   0.3885 -0.9084000E-01 0.5536000 
1 1 1    3   21   16 o   6.6620   0.5322   6.4700   0.7572   6.8530   0.7481 -0.3829000 1.064000 
1 1 1    3   21   17 o   7.7180   0.6103   8.3770   0.6005   7.0580   1.0630 1.319000 1.221000 
1 1 1    3   21   18 o   5.2200   0.9605   5.4700   1.3520   4.9700   1.3640 0.4999000 1.921000 
1 1 1    3   21   19 o   10.970   0.3678   10.810   0.5577   11.120   0.4796 -0.3096000 0.7356000 
1 1 1    3   21   20 o   8.1130   0.4450   7.6790   0.6535   8.5470   0.6041 -0.8678000 0.8900000 
1 1 1    3   21   21 o   7.2150   0.5104   6.6570   0.7580   7.7730   0.6838 -1.117000 1.021000 
1 1 1    3   21   22 o   2.8890   0.7939   3.4130   1.1900   2.3650   1.0510 1.048000 1.588000 
1 1 1    3   21   23 o   5.5560   0.8397   4.5060   1.3700   6.6060   0.9715 -2.100000 1.679000 
1 1 1    3   21   24 o   3.6140   0.9359   2.6060   1.1070   4.6220   1.5100 -2.016000 1.872000 
1 1 1    3   21   25 o   2.3820   1.1730   2.3820   1.1730  ?   ?       ?      ? 
1 1 1    3   23    0 o   9.7740   0.3231   10.370   0.4268   9.1820   0.4852 1.184000 0.6462000 
1 1 1    3   23    1 o   4.8600   0.6093   4.8710   0.8560   4.8500   0.8675 0.2084000E-01 1.219000 
1 1 1    3   23    2 o   16.090   0.2271   16.010   0.3211   16.170   0.3213 -0.1586000 0.4543000 
1 1 1    3   23    3 o   15.710   0.2344   15.920   0.3293   15.500   0.3337 0.4268000 0.4688000 
1 1 1    3   23    4 f   15.000   0.2359   15.060   0.3307   14.950   0.3366 0.1106000 0.4719000 
1 1 1    3   23    5 o   14.670   0.2586   14.430   0.3903   14.910   0.3395 -0.4784000 0.5173000 
1 1 1    3   23    6 o   7.2410   0.4463   7.5370   0.6572   6.9450   0.6040 0.5926000 0.8926000 
1 1 1    3   23    7 o   6.0220   0.5479   5.4590   0.9030   6.5850   0.6209 -1.127000 1.096000 
1 1 1    3   23    8 o   11.690   0.2938   11.520   0.4468   11.860   0.3818 -0.3412000 0.5877000 
1 1 1    3   23    9 f   9.5460   0.3409   10.390   0.4783   8.7030   0.4858 1.687000 0.6817000 
1 1 1    3   23   10 o   7.3500   0.4232   7.4450   0.6363   7.2540   0.5582 0.1910000 0.8464000 
1 1 1    3   23   11 o   6.3350   0.4871   6.6670   0.7041   6.0020   0.6733 0.6653000 0.9742000 
1 1 1    3   23   12 o   2.5060   0.7160   2.9240   1.0980   2.0870   0.9192 0.8372000 1.432000 
1 1 1    3   23   13 o   7.8910   0.4038   8.1780   0.5946   7.6030   0.5464 0.5749000 0.8076000 
1 1 1    3   23   14 o   6.2450   0.6333   6.2320   0.9683   6.2580   0.8164 -0.2526000E-01 1.267000 
1 1 1    3   23   15 o   2.7230   0.8470   2.9730   1.2710   2.4730   1.1190 0.5002000 1.694000 
1 1 1    3   23   16 o   9.2070   0.4333   8.5790   0.6834   9.8350   0.5329 -1.256000 0.8666000 
1 1 1    3   23   17 o   8.2110   0.4464   8.2600   0.6138   8.1620   0.6485 0.9792000E-01 0.8929000 
1 1 1    3   23   18 f   3.4890   0.8343   3.0480   1.1610   3.9300   1.1990 -0.8821000 1.669000 
1 1 1    3   23   19 o   3.8260   0.8188   3.2550   1.1620   4.3960   1.1540 -1.141000 1.638000 
1 1 1    3   23   20 o   3.5000   0.8375   3.2420   1.1780   3.7580   1.1910 -0.5160000 1.675000 
1 1 1    3   23   21 o   4.0530   0.9393   4.6630   1.3570   3.4430   1.2990 1.220000 1.879000 
1 1 1    3   23   22 o   1.9040   0.6523   1.9740   0.9388   1.8350   0.9058 0.1394000 1.305000 
1 1 1    3   25    0 o   2.8600   0.7398   2.7140   1.0370   3.0050   1.0560 -0.2911000 1.480000 
1 1 1    3   25    1 o   7.4710   0.3877   7.3140   0.5553   7.6270   0.5412 -0.3129000 0.7753000 
1 1 1    3   25    2 o   5.8680   0.4911   5.6590   0.7158   6.0770   0.6727 -0.4174000 0.9823000 
1 1 1    3   25    3 o   6.2860   0.4818   7.0650   0.5905   5.5080   0.7616 1.557000 0.9637000 
1 1 1    3   25    4 o   9.9490   0.3141   9.6840   0.4537   10.210   0.4345 -0.5298000 0.6282000 
1 1 1    3   25    5 o   10.520   0.3261   10.140   0.5030   10.890   0.4152 -0.7504000 0.6522000 
1 1 1    3   25    6 o   8.6280   0.3893   8.1240   0.6223   9.1310   0.4680 -1.007000 0.7787000 
1 1 1    3   25    7 o   4.7590   0.6711   4.5610   1.0550   4.9580   0.8297 -0.3963000 1.342000 
1 1 1    3   25    8 o   5.6110   0.5554   6.1670   0.7680   5.0550   0.8026 1.112000 1.111000 
1 1 1    3   25    9 o   2.4790   0.7241   2.5040   1.0470   2.4550   1.0010 0.4912000E-01 1.448000 
1 1 1    3   25   10 o   5.5080   0.8739   5.8700   1.2830   5.1450   1.1870 0.7258000 1.748000 
1 1 1    3   25   11 o   8.4570   0.6011   9.1490   0.8667   7.7640   0.8333 1.386000 1.202000 
1 1 1    3   25   12 o   8.9070   0.4385   9.5410   0.6295   8.2720   0.6104 1.269000 0.8769000 
1 1 1    3   25   13 o   8.9370   0.3834   8.5430   0.5902   9.3310   0.4896 -0.7877000 0.7669000 
1 1 1    3   25   14 o   5.0390   0.6451   5.1200   0.9365   4.9570   0.8876 0.1631000 1.290000 
1 1 1    3   25   15 o   4.4080   0.7261   4.1880   1.0930   4.6270   0.9564 -0.4387000 1.452000 
1 1 1    3   25   16 o   9.4780   0.3683   9.6480   0.5414   9.3070   0.4994 0.3405000 0.7365000 
1 1 1    3   25   17 o   4.0750   0.7771   3.5390   1.2000   4.6110   0.9883 -1.072000 1.554000 
1 1 1    3   25   18 o   4.0730   0.9308   4.9300   1.3390   3.2160   1.2930 1.714000 1.862000 
1 1 1    3   25   19 o   2.9960   0.9153   3.1230   1.3030   2.8700   1.2850 0.2524000 1.831000 
1 1 1    3   25   20 o   2.1540   0.7134   2.1100   0.9829   2.1980   1.0340 -0.8838000E-01 1.427000 
1 1 1    3   27    0 o   5.2240   0.8065   5.6450   1.0220   4.8040   1.2480 0.8410000 1.613000 
1 1 1    3   27    1 o   12.920   0.3744   12.470   0.5198   13.370   0.5389 -0.8950000 0.7487000 
1 1 1    3   27    2 o   3.3440   0.7890   1.9310   0.9328   4.7570   1.2730 -2.826000 1.578000 
1 1 1    3   27    3 o   3.0610   0.8602   2.6280   1.1330   3.4930   1.2940 -0.8648000 1.720000 
1 1 1    3   27    4 o   3.0000   0.8552   3.1780   1.2110   2.8220   1.2070 0.3564000 1.710000 
1 1 1    3   27    5 o   3.7870   0.8511   2.5190   1.1710   5.0560   1.2360 -2.537000 1.702000 
1 1 1    3   27    6 o   2.3210   0.7231   2.2280   1.0330   2.4150   1.0120 -0.1871000 1.446000 
1 1 1    3   27    7 o   3.2700   0.7610   4.0750   1.1290   2.4650   1.0210 1.610000 1.522000 
1 1 1    3   27    8 o   7.1320   0.4739   7.0870   0.7123   7.1770   0.6251 -0.9057000E-01 0.9477000 
1 1 1    3   27    9 o   7.0910   0.4649   7.2120   0.6785   6.9690   0.6357 0.2424000 0.9297000 
1 1 1    3   27   10 o   2.4920   0.7320   2.2810   1.0130   2.7040   1.0570 -0.4228000 1.464000 
1 1 1    3   27   11 o   3.9730   0.7635   3.6620   1.1470   4.2840   1.0080 -0.6222000 1.527000 
1 1 1    3   27   12 o   6.7380   0.5021   6.7670   0.7467   6.7090   0.6714 0.5878000E-01 1.004000 
1 1 1    3   27   13 o   3.5170   0.7430   2.6980   1.1040   4.3360   0.9943 -1.638000 1.486000 
1 1 1    3   27   14 o   2.1700   0.6893   2.5600   1.0850   1.7800   0.8506 0.7801000 1.379000 
1 1 1    3   27   15 o   4.6890   0.9180   4.3780   1.3680   5.0010   1.2250 -0.6235000 1.836000 
1 1 1    3   27   16 o   2.4810   0.7458   2.0190   0.9438   2.9430   1.1550 -0.9242000 1.492000 
1 1 1    3   27   17 o   2.7180   0.8419   2.5070   1.1480   2.9300   1.2320 -0.4234000 1.684000 
1 1 1    3   29    0 o   2.4740   0.7042   1.9450   0.9025   3.0040   1.0810 -1.059000 1.408000 
1 1 1    3   29    1 o   1.9800   0.6436   2.0860   0.9429   1.8740   0.8763 0.2118000 1.287000 
1 1 1    3   29    2 o   2.4300   0.7119   2.1110   0.9505   2.7490   1.0600 -0.6374000 1.424000 
1 1 1    3   29    3 o   2.4150   0.7037   2.9310   1.0920   1.9000   0.8884 1.032000 1.407000 
1 1 1    3   29    4 o   3.2640   0.7693   3.3420   1.0850   3.1860   1.0910 0.1559000 1.539000 
1 1 1    3   29    5 o   7.0820   0.4881   7.3480   0.7186   6.8160   0.6609 0.5315000 0.9763000 
1 1 1    3   29    6 o   4.6280   0.7123   5.7980   0.9191   3.4590   1.0890 2.339000 1.425000 
1 1 1    3   29    7 o   5.1540   0.7001   4.3190   1.1830   5.9890   0.7485 -1.670000 1.400000 
1 1 1    3   29    8 o   6.2260   0.5702   6.2980   0.8776   6.1550   0.7283 0.1437000 1.140000 
1 1 1    3   29    9 o   1.7280   0.5955   2.0580   0.9629   1.3980   0.7010 0.6600000 1.191000 
1 1 1    3   29   10 o   2.5960   0.8107   3.0280   1.2580   2.1630   1.0230 0.8652000 1.621000 
1 1 1    3   29   11 o   1.6530   0.5871   1.6520   0.8329   1.6540   0.8276 -0.1571000E-02 1.174000 
1 1 1    3   29   12 o   3.0810   0.8161   3.0720   1.1480   3.0900   1.1600 -0.1819000E-01 1.632000 
1 1 1    3   31    0 o   4.6840   0.9241   5.1670   1.3100   4.2010   1.3040 0.9654000 1.848000 
1 1 1    3   31    1 o   2.1390   0.7222   2.0690   1.0030   2.2090   1.0390 -0.1400000 1.444000 
1 1 1    3   31    2 o   3.1930   0.8685   2.8280   1.1600   3.5570   1.2930 -0.7292000 1.737000 
1 1 1    3   31    3 o   2.2780   0.7303   2.3690   1.0590   2.1860   1.0060 0.1838000 1.461000 
1 1 1    3   31    4 o   3.6010   0.8986   3.9940   1.3480   3.2080   1.1890 0.7865000 1.797000 
1 1 1    3   31    5 o   2.1820   0.7061   2.4730   1.0940   1.8910   0.8932 0.5816000 1.412000 
1 1 1    4    0    0 o   30.250   0.3023   30.250   0.3023   30.250   0.3023 0.000000 0.000000 
1 1 1    4    0    1 o   5.6170   0.1039   5.6170   0.1039   5.6170   0.1039 0.000000 0.000000 
1 1 1    4    0    2 o   2.0300   0.2900   2.0300   0.2900   2.0300   0.2900 0.000000 0.000000 
1 1 1    4    0    3 o   18.200   0.1684   18.200   0.1684   18.200   0.1684 0.000000 0.000000 
1 1 1    4    0    4 o   64.010   0.6401   64.010   0.6401   64.010   0.6401 0.000000 0.000000 
1 1 1    4    0    5 o   49.880   0.3563   49.880   0.3563   49.880   0.3563 0.000000 0.000000 
1 1 1    4    0    6 o   86.530   0.6099   86.530   0.6099   86.530   0.6099 0.000000 0.000000 
1 1 1    4    0    7 o  152.900   1.0730  152.900   1.0730  152.900   1.0730 0.000000 0.000000 
1 1 1    4    0    8 o   77.690   0.7790   77.690   0.7790   77.690   0.7790 0.000000 0.000000 
1 1 1    4    0    9 o   30.410   0.3382   30.410   0.3382   30.410   0.3382 0.000000 0.000000 
1 1 1    4    0   10 o   19.510   0.1941   19.510   0.1941   19.510   0.1941 0.000000 0.000000 
1 1 1    4    0   11 f   3.8060   0.5848   3.8060   0.5848   3.8060   0.5848 0.000000 0.000000 
1 1 1    4    0   12 o   16.020   0.2085   16.020   0.2085   16.020   0.2085 0.000000 0.000000 
1 1 1    4    0   13 f   5.0170   0.5048   5.0170   0.5048   5.0170   0.5048 0.000000 0.000000 
1 1 1    4    0   14 o   19.120   0.2239   19.120   0.2239   19.120   0.2239 0.000000 0.000000 
1 1 1    4    0   15 o   26.280   0.2485   26.280   0.2485   26.280   0.2485 0.000000 0.000000 
1 1 1    4    0   16 o   14.400   0.2983   14.400   0.2983   14.400   0.2983 0.000000 0.000000 
1 1 1    4    0   17 o   36.630   0.4304   36.630   0.4304   36.630   0.4304 0.000000 0.000000 
1 1 1    4    0   18 o   25.390   0.2737   25.390   0.2737   25.390   0.2737 0.000000 0.000000 
1 1 1    4    0   19 o   27.990   0.2850   27.990   0.2850   27.990   0.2850 0.000000 0.000000 
1 1 1    4    0   20 o   9.2880   0.4776   9.2880   0.4776   9.2880   0.4776 0.000000 0.000000 
1 1 1    4    0   21 o   10.080   0.6055   10.080   0.6055   10.080   0.6055 0.000000 0.000000 
1 1 1    4    0   22 o   5.6150   0.7535   5.6150   0.7535   5.6150   0.7535 0.000000 0.000000 
1 1 1    4    0   23 o   1.4250   0.9622   1.4250   0.9622   1.4250   0.9622 0.000000 0.000000 
1 1 1    4    0   24 o   22.170   0.3315   22.170   0.3315   22.170   0.3315 0.000000 0.000000 
1 1 1    4    0   25 o   10.200   0.4927   10.200   0.4927   10.200   0.4927 0.000000 0.000000 
1 1 1    4    0   26 o   6.2700   0.7665   6.2700   0.7665   6.2700   0.7665 0.000000 0.000000 
1 1 1    4    0   27 o   11.440   0.4394   11.440   0.4394   11.440   0.4394 0.000000 0.000000 
1 1 1    4    0   28 o   4.1380   1.2160   4.1380   1.2160   4.1380   1.2160 0.000000 0.000000 
1 1 1    4    0   29 o   3.8000   1.4720   3.8000   1.4720   3.8000   1.4720 0.000000 0.000000 
1 1 1    4    0   30 o   2.6660   1.3640   2.6660   1.3640   2.6660   1.3640 0.000000 0.000000 
1 1 1    4    0   31 o   1.7880   1.1540   1.7880   1.1540   1.7880   1.1540 0.000000 0.000000 
1 1 1    4    0   32 o   1.8840   1.1920   1.8840   1.1920   1.8840   1.1920 0.000000 0.000000 
1 1 1    4    0   33 o   2.7020   1.6630   2.7020   1.6630   2.7020   1.6630 0.000000 0.000000 
1 1 1    4    2    0 o   55.730   0.2779   55.810   0.3938   55.640   0.3923 0.1752000 0.5558000 
1 1 1    4    2    1 o   38.120   0.2221   38.250   0.3153   37.990   0.3130 0.2660000 0.4443000 
1 1 1    4    2    2 o   3.5510   0.1693   3.8350   0.2247   3.2670   0.2534 0.5673000 0.3387000 
1 1 1    4    2    3 o   39.770   0.3510   40.120   0.5757   39.420   0.4017 0.7031000 0.7020000 
1 1 1    4    2    4 o   39.870   0.2354   39.800   0.3324   39.940   0.3334 -0.1422000 0.4708000 
1 1 1    4    2    5 o   23.170   0.1523   23.140   0.2149   23.200   0.2159 -0.5311000E-01 0.3046000 
1 1 1    4    2    6 o  120.900   0.6945  120.900   0.9819  121.000   0.9825 -0.8979000E-01 1.389000 
1 1 1    4    2    7 o  104.400   0.6006  104.200   0.8481  104.500   0.8507 -0.3152000 1.201000 
1 1 1    4    2    8 o   69.100   0.6043   69.150   0.6973   69.060   0.9871 0.9306000E-01 1.209000 
1 1 1    4    2    9 o   38.950   0.2384   39.090   0.3383   38.800   0.3360 0.2865000 0.4768000 
1 1 1    4    2   10 o   19.850   0.1515   20.040   0.1993   19.650   0.2282 0.3931000 0.3030000 
1 1 1    4    2   11 o   22.520   0.1618   22.430   0.2116   22.610   0.2447 -0.1795000 0.3235000 
1 1 1    4    2   12 o   17.860   0.1607   18.030   0.2100   17.680   0.2433 0.3421000 0.3214000 
1 1 1    4    2   13 o   14.880   0.1723   14.940   0.2244   14.810   0.2615 0.1301000 0.3446000 
1 1 1    4    2   14 o   18.430   0.1837   18.260   0.2605   18.600   0.2591 -0.3391000 0.3674000 
1 1 1    4    2   15 o   13.140   0.2118   13.330   0.2769   12.950   0.3205 0.3850000 0.4236000 
1 1 1    4    2   16 o   9.1120   0.3227   8.6010   0.4386   9.6240   0.4736 -1.023000 0.6455000 
1 1 1    4    2   17 o   17.210   0.2725   17.610   0.3781   16.810   0.3925 0.8006000 0.5450000 
1 1 1    4    2   18 o   25.500   0.2105   25.450   0.2746   25.550   0.3190 -0.1006000 0.4209000 
1 1 1    4    2   19 o   8.7550   0.3988   8.9720   0.4998   8.5380   0.6216 0.4336000 0.7976000 
1 1 1    4    2   20 o   17.820   0.2305   17.820   0.2987   17.810   0.3511 0.7523000E-02 0.4609000 
1 1 1    4    2   21 o   30.100   0.3574   30.510   0.4194   29.690   0.5789 0.8174000 0.7149000 
1 1 1    4    2   22 o   4.8920   0.6522   5.9240   0.6902   3.8610   1.1070 2.063000 1.304000 
1 1 1    4    2   23 o   11.700   0.2850   11.460   0.3837   11.950   0.4216 -0.4920000 0.5700000 
1 1 1    4    2   24 o   9.2290   0.3404   9.1620   0.4537   9.2960   0.5075 -0.1341000 0.6807000 
1 1 1    4    2   25 o   11.600   0.2950   11.800   0.3836   11.400   0.4482 0.3974000 0.5900000 
1 1 1    4    2   26 o   2.7670   0.7539   2.8160   1.0450   2.7180   1.0870 0.9773000E-01 1.508000 
1 1 1    4    2   27 o   2.3840   0.7142   2.4000   0.9905   2.3680   1.0290 0.3157000E-01 1.428000 
1 1 1    4    2   28 o   4.4470   0.6801   5.5660   0.7430   3.3290   1.1390 2.237000 1.360000 
1 1 1    4    2   29 o   5.0930   0.8071   4.3230   1.2410   5.8630   1.0320 -1.541000 1.614000 
1 1 1    4    2   30 o   3.9750   0.7683   4.3310   1.0020   3.6190   1.1650 0.7113000 1.537000 
1 1 1    4    2   31 o   2.0060   0.6596   1.7560   0.8416   2.2560   1.0160 -0.4996000 1.319000 
1 1 1    4    2   32 o   3.6380   0.8112   3.8600   1.1100   3.4160   1.1830 0.4442000 1.622000 
1 1 1    4    2   33 o   5.1420   0.8832   4.6450   1.2790   5.6390   1.2190 -0.9940000 1.766000 
1 1 1    4    4    0 f   14.250   0.1422   14.350   0.1997   14.140   0.2025 0.2109000 0.2843000 
1 1 1    4    4    1 o   27.220   0.2404  ?   ?    27.220   0.2404      ?      ? 
1 1 1    4    4    2 o   29.850   0.1833   30.100   0.2611   29.590   0.2574 0.5123000 0.3667000 
1 1 1    4    4    3 o   67.680   0.3918   67.750   0.5546   67.610   0.5537 0.1315000 0.7837000 
1 1 1    4    4    4 f   67.700   0.3924   67.570   0.5539   67.830   0.5559 -0.2604000 0.7848000 
1 1 1    4    4    5 o  104.000   0.5982  104.000   0.8462  104.000   0.8457 0.5259000E-01 1.196000 
1 1 1    4    4    6 o   71.710   0.4162   71.670   0.5882   71.750   0.5889 -0.8002000E-01 0.8323000 
1 1 1    4    4    7 o   55.850   0.4935   55.570   0.5667   56.130   0.8080 -0.5617000 0.9869000 
1 1 1    4    4    8 o   54.650   0.4848   54.520   0.5586   54.770   0.7924 -0.2495000 0.9695000 
1 1 1    4    4    9 o   10.240   0.1845   10.110   0.2604   10.370   0.2615 -0.2681000 0.3690000 
1 1 1    4    4   10 o   11.740   0.1814   11.620   0.2543   11.850   0.2589 -0.2308000 0.3629000 
1 1 1    4    4   11 o   10.170   0.2104   9.9630   0.3023   10.380   0.2928 -0.4156000 0.4209000 
1 1 1    4    4   12 o   13.890   0.1848   13.850   0.2627   13.940   0.2601 -0.8871000E-01 0.3697000 
1 1 1    4    4   13 o   27.040   0.1968   26.980   0.2782   27.100   0.2783 -0.1157000 0.3935000 
1 1 1    4    4   14 o   15.550   0.2209   14.930   0.2848   16.160   0.3377 -1.231000 0.4418000 
1 1 1    4    4   15 o   19.010   0.1931   18.920   0.2517   19.100   0.2929 -0.1792000 0.3861000 
1 1 1    4    4   16 o   11.720   0.4574   11.720   0.4574  ?   ?       ?      ? 
1 1 1    4    4   17 o   52.150   0.3016   51.890   0.3931   52.410   0.4576 -0.5231000 0.6032000 
1 1 1    4    4   18 o   21.650   0.2164   21.920   0.2816   21.380   0.3287 0.5412000 0.4328000 
1 1 1    4    4   19 o   12.190   0.3018   12.750   0.3675   11.620   0.4788 1.129000 0.6035000 
1 1 1    4    4   20 o   5.4420   0.6158   5.9710   0.7054   4.9140   1.0090 1.056000 1.232000 
1 1 1    4    4   21 o   23.370   0.3444   22.970   0.4037   23.770   0.5580 -0.8031000 0.6887000 
1 1 1    4    4   22 o   11.550   0.2840   11.100   0.3829   12.010   0.4195 -0.9095000 0.5680000 
1 1 1    4    4   23 o   11.840   0.2796   11.870   0.3679   11.800   0.4211 0.6697000E-01 0.5591000 
1 1 1    4    4   24 o   10.990   0.2964   11.150   0.3842   10.840   0.4515 0.3168000 0.5928000 
1 1 1    4    4   25 o   5.4180   0.5618   5.5020   0.7092   5.3340   0.8715 0.1675000 1.124000 
1 1 1    4    4   26 o   4.6470   0.6576   4.2750   0.9284   5.0200   0.9315 -0.7442000 1.315000 
1 1 1    4    4   27 o   5.3380   0.5686   4.8820   0.8129   5.7930   0.7953 -0.9108000 1.137000 
1 1 1    4    4   28 o   2.5040   0.7805   2.2700   1.0340   2.7390   1.1700 -0.4686000 1.561000 
1 1 1    4    4   29 o   2.8530   0.7553   2.2320   0.9759   3.4750   1.1530 -1.243000 1.511000 
1 1 1    4    4   30 o   5.7530   0.5911   5.6440   0.7980   5.8620   0.8723 -0.2183000 1.182000 
1 1 1    4    4   31 o   5.8730   0.5999   5.1640   0.8952   6.5810   0.7989 -1.417000 1.200000 
1 1 1    4    4   32 o   2.5990   0.8426   2.8090   1.2290   2.3890   1.1530 0.4196000 1.685000 
1 1 1    4    4   33 o   3.4750   0.8288   3.3920   1.1370   3.5590   1.2060 -0.1677000 1.658000 
1 1 1    4    6    0 o   24.180   0.1416   24.310   0.2011   24.050   0.1994 0.2602000 0.2832000 
1 1 1    4    6    1 o   31.290   0.1699   31.420   0.2409   31.160   0.2395 0.2525000 0.3397000 
1 1 1    4    6    2 o   49.060   0.2711   49.070   0.4098   49.040   0.3551 0.3018000E-01 0.5423000 
1 1 1    4    6    3 f   91.080   0.5254   90.920   0.7417   91.240   0.7444 -0.3185000 1.051000 
1 1 1    4    6    4 o   70.370   0.4092   69.970   0.5757   70.770   0.5818 -0.7932000 0.8185000 
1 1 1    4    6    5 o   61.350   0.4015   61.160   0.5064   61.540   0.6231 -0.3801000 0.8030000 
1 1 1    4    6    6 o   31.390   0.3010   31.050   0.3492   31.730   0.4905 -0.6867000 0.6021000 
1 1 1    4    6    7 o   25.990   0.1809   25.900   0.2551   26.070   0.2564 -0.1659000 0.3617000 
1 1 1    4    6    8 o   13.150   0.1736   13.220   0.2478   13.070   0.2431 0.1522000 0.3472000 
1 1 1    4    6    9 o   16.190   0.1716   16.190   0.2425   16.190   0.2429 -0.5476000E-02 0.3433000 
1 1 1    4    6   10 o   29.140   0.2017   29.030   0.2843   29.250   0.2861 -0.2270000 0.4033000 
1 1 1    4    6   11 o   24.860   0.1897   24.520   0.2673   25.200   0.2691 -0.6797000 0.3793000 
1 1 1    4    6   12 o   33.730   0.2244   33.900   0.3184   33.560   0.3163 0.3386000 0.4488000 
1 1 1    4    6   13 o   37.760   0.2445   37.710   0.3460   37.800   0.3455 -0.9022000E-01 0.4890000 
1 1 1    4    6   14 o   7.8320   0.3447   8.1170   0.4678   7.5470   0.5066 0.5699000 0.6895000 
1 1 1    4    6   15 o   17.660   0.3173   17.930   0.5050   17.390   0.3842 0.5427000 0.6345000 
1 1 1    4    6   16 o   11.020   0.3262   10.950   0.4963   11.080   0.4235 -0.1290000 0.6525000 
1 1 1    4    6   17 o   8.8000   0.3861   9.1260   0.5228   8.4750   0.5684 0.6510000 0.7723000 
1 1 1    4    6   18 o   4.9290   0.7299   5.3270   0.9750   4.5300   1.0870 0.7974000 1.460000 
1 1 1    4    6   19 o   33.580   0.2484   33.680   0.3526   33.480   0.3499 0.2018000 0.4968000 
1 1 1    4    6   20 o   18.800   0.3533   18.770   0.4318   18.840   0.5592 -0.7534000E-01 0.7065000 
1 1 1    4    6   21 o   6.8230   0.4641   6.8400   0.6052   6.8060   0.7039 0.3374000E-01 0.9283000 
1 1 1    4    6   22 o   6.0040   0.5124   5.8790   0.6968   6.1280   0.7514 -0.2490000 1.025000 
1 1 1    4    6   23 o   11.660   0.2860   11.800   0.3716   11.510   0.4347 0.2944000 0.5719000 
1 1 1    4    6   24 o   2.9980   0.6953   3.8380   0.9960   2.1580   0.9703 1.681000 1.391000 
1 1 1    4    6   25 f   9.7450   0.3277   9.6900   0.4302   9.8000   0.4944 -0.1095000 0.6554000 
1 1 1    4    6   26 o   5.9880   0.5099   5.3910   0.7480   6.5860   0.6931 -1.194000 1.020000 
1 1 1    4    6   27 o   6.6080   0.4644   6.5190   0.6240   6.6970   0.6878 -0.1785000 0.9287000 
1 1 1    4    6   28 o   6.5270   0.6395   6.6680   0.8474   6.3870   0.9579 0.2805000 1.279000 
1 1 1    4    6   29 o   4.7750   0.6869   3.8100   1.0700   5.7400   0.8613 -1.930000 1.374000 
1 1 1    4    6   30 o   1.9300   0.6413   1.8840   0.8842   1.9760   0.9292 -0.9197000E-01 1.283000 
1 1 1    4    6   31 o   3.8250   0.8117   3.8390   1.1050   3.8120   1.1900 0.2669000E-01 1.623000 
1 1 1    4    6   32 o   2.0850   0.7227   2.0930   1.0160   2.0760   1.0280 0.1788000E-01 1.445000 
1 1 1    4    8    0 o   10.760   0.1953   11.390   0.2414   10.120   0.3071 1.266000 0.3907000 
1 1 1    4    8    1 o   44.640   0.2694   44.740   0.3820   44.530   0.3799 0.2103000 0.5388000 
1 1 1    4    8    2 o   21.560   0.2023   21.570   0.2875   21.550   0.2847 0.2096000E-01 0.4046000 
1 1 1    4    8    3 o   19.550   0.2796  ?   ?    19.550   0.2796      ?      ? 
1 1 1    4    8    4 o   29.370   0.2403   29.160   0.3375   29.590   0.3421 -0.4333000 0.4805000 
1 1 1    4    8    5 o   8.6300   0.2131   8.7700   0.2962   8.4900   0.3066 0.2798000 0.4263000 
1 1 1    4    8    6 o   22.640   0.1958   22.880   0.2476   22.400   0.3033 0.4767000 0.3915000 
1 1 1    4    8    7 o   16.900   0.1869   17.350   0.2804   16.450   0.2471 0.8998000 0.3737000 
1 1 1    4    8    8 o   9.3180   0.2322   9.1940   0.3309   9.4420   0.3257 -0.2481000 0.4643000 
1 1 1    4    8    9 o   34.590   0.2272   34.880   0.3229   34.290   0.3198 0.5922000 0.4544000 
1 1 1    4    8   10 o   21.380   0.1850   21.340   0.2621   21.420   0.2612 -0.7421000E-01 0.3700000 
1 1 1    4    8   11 o   9.2670   0.2632   9.5530   0.3670   8.9810   0.3775 0.5721000 0.5265000 
1 1 1    4    8   12 o   24.750   0.2008   24.790   0.2869   24.700   0.2809 0.9517000E-01 0.4015000 
1 1 1    4    8   13 o   26.990   0.2122   27.040   0.3009   26.940   0.2994 0.9799000E-01 0.4245000 
1 1 1    4    8   14 o   18.030   0.3130   17.440   0.4972   18.620   0.3804 -1.179000 0.6260000 
1 1 1    4    8   15 o   10.740   0.3287   10.670   0.4991   10.820   0.4277 -0.1501000 0.6573000 
1 1 1    4    8   16 o   2.1030   0.6797   2.2670   1.0070   1.9400   0.9129 0.3268000 1.359000 
1 1 1    4    8   17 f   18.350   0.2469   18.290   0.3529   18.410   0.3454 -0.1240000 0.4938000 
1 1 1    4    8   18 o   22.540   0.2337   22.400   0.3320   22.680   0.3290 -0.2750000 0.4674000 
1 1 1    4    8   19 o   14.290   0.3420   14.440   0.4903   14.150   0.4770 0.2953000 0.6840000 
1 1 1    4    8   20 o   19.340   0.2654   19.320   0.3367   19.350   0.4105 -0.3623000E-01 0.5309000 
1 1 1    4    8   21 o   7.5920   0.4403   7.9590   0.5982   7.2250   0.6463 0.7346000 0.8807000 
1 1 1    4    8   22 o   9.3760   0.3612   9.2120   0.5217   9.5400   0.4997 -0.3285000 0.7224000 
1 1 1    4    8   23 o   3.0050   0.7383   2.2280   0.9912   3.7830   1.0940 -1.555000 1.477000 
1 1 1    4    8   24 o   4.4830   0.6776   4.0600   0.9743   4.9060   0.9419 -0.8453000 1.355000 
1 1 1    4    8   25 o   3.7480   0.7286   3.0770   1.0520   4.4180   1.0080 -1.341000 1.457000 
1 1 1    4    8   26 o   6.9240   0.4541   7.4950   0.5422   6.3530   0.7286 1.142000 0.9082000 
1 1 1    4    8   27 o   2.2860   0.7270   1.6160   0.7960   2.9550   1.2170 -1.339000 1.454000 
1 1 1    4    8   28 o   6.9910   0.4929   6.4590   0.7365   7.5230   0.6553 -1.063000 0.9858000 
1 1 1    4    8   29 o   4.5500   0.7271   4.5330   0.9767   4.5680   1.0770 -0.3566000E-01 1.454000 
1 1 1    4    8   30 o   2.1780   0.6929   1.8960   0.8892   2.4600   1.0630 -0.5641000 1.386000 
1 1 1    4    8   31 o   3.3500   0.8814   2.9680   1.1930   3.7310   1.2980 -0.7627000 1.763000 
1 1 1    4    8   32 f   2.6350   0.8096   2.2350   1.0190   3.0350   1.2580 -0.8004000 1.619000 
1 1 1    4   10    0 f   35.570   0.1978   35.680   0.2802   35.460   0.2793 0.2130000 0.3957000 
1 1 1    4   10    1 o   14.110   0.1577   14.290   0.2237   13.940   0.2224 0.3511000 0.3154000 
1 1 1    4   10    2 o   50.830   0.2654   50.940   0.3761   50.710   0.3746 0.2298000 0.5308000 
1 1 1    4   10    3 o   36.440   0.2185   36.490   0.3302   36.400   0.2862 0.9610000E-01 0.4370000 
1 1 1    4   10    4 o   23.570   0.1740   24.150   0.2652   23.000   0.2253 1.154000 0.3480000 
1 1 1    4   10    5 o   33.140   0.2208   32.870   0.3103   33.410   0.3142 -0.5482000 0.4416000 
1 1 1    4   10    6 o   52.380   0.3168   52.580   0.4492   52.180   0.4467 0.4012000 0.6335000 
1 1 1    4   10    7 o   38.550   0.2474   38.430   0.3487   38.660   0.3510 -0.2314000 0.4948000 
1 1 1    4   10    8 o   12.260   0.2138   11.960   0.3076   12.550   0.2969 -0.5914000 0.4275000 
1 1 1    4   10    9 f   43.500   0.2733   43.660   0.3869   43.330   0.3861 0.3293000 0.5466000 
1 1 1    4   10   10 o   31.110   0.2207   31.070   0.3110   31.160   0.3134 -0.8329000E-01 0.4415000 
1 1 1    4   10   11 o   46.080   0.2887   46.030   0.4083   46.140   0.4083 -0.1097000 0.5774000 
1 1 1    4   10   12 o   38.380   0.2552   38.380   0.3617   38.370   0.3602 0.8240000E-02 0.5105000 
1 1 1    4   10   13 o   23.990   0.3126   23.890   0.4985   24.080   0.3771 -0.1842000 0.6251000 
1 1 1    4   10   14 o   29.410   0.2301   29.490   0.3287   29.330   0.3222 0.1637000 0.4603000 
1 1 1    4   10   15 o   24.330   0.2295   24.090   0.3289   24.570   0.3203 -0.4805000 0.4591000 
1 1 1    4   10   16 o   58.960   0.3627   59.020   0.5147   58.890   0.5111 0.1329000 0.7253000 
1 1 1    4   10   17 o   11.730   0.3243   12.070   0.4523   11.400   0.4650 0.6672000 0.6487000 
1 1 1    4   10   18 o   5.8090   0.8772   5.6060   1.1950   6.0110   1.2840 -0.4051000 1.754000 
1 1 1    4   10   19 o   7.2970   0.5156   7.5950   0.6255   6.9990   0.8198 0.5964000 1.031000 
1 1 1    4   10   20 o   10.740   0.3270   11.190   0.4532   10.290   0.4714 0.8968000 0.6539000 
1 1 1    4   10   21 o   9.7000   0.3530   9.6420   0.5090   9.7590   0.4894 -0.1170000 0.7061000 
1 1 1    4   10   22 o   5.9270   0.5532   6.0100   0.7567   5.8440   0.8073 0.1654000 1.106000 
1 1 1    4   10   23 o   6.9010   0.4956   5.9830   0.7937   7.8190   0.5938 -1.836000 0.9912000 
1 1 1    4   10   24 o   4.4830   0.7231   4.2540   1.0630   4.7120   0.9806 -0.4586000 1.446000 
1 1 1    4   10   25 o   10.450   0.3365   10.650   0.4766   10.260   0.4750 0.3907000 0.6729000 
1 1 1    4   10   26 o   6.6540   0.6560   7.4200   0.7959   5.8870   1.0430 1.533000 1.312000 
1 1 1    4   10   27 o   6.5810   0.5528   5.5030   0.8889   7.6590   0.6573 -2.156000 1.106000 
1 1 1    4   10   28 o   3.1560   0.7777   3.6020   1.0910   2.7100   1.1090 0.8920000 1.555000 
1 1 1    4   10   29 o   2.2090   0.6821   2.6900   1.0730   1.7280   0.8430 0.9614000 1.364000 
1 1 1    4   10   30 o   3.3850   0.7883   2.7000   1.0790   4.0700   1.1500 -1.370000 1.577000 
1 1 1    4   10   31 o   2.9640   0.8985   3.2470   1.3010   2.6820   1.2400 0.5652000 1.797000 
1 1 1    4   12    0 o   15.340   0.1938   16.060   0.2720   14.610   0.2762 1.452000 0.3876000 
1 1 1    4   12    1 o   15.960   0.1679   15.950   0.2370   15.960   0.2378 -0.1367000E-01 0.3358000 
1 1 1    4   12    2 o   33.800   0.1975   33.870   0.2795   33.730   0.2792 0.1444000 0.3950000 
1 1 1    4   12    3 o   20.940   0.1648   21.160   0.2325   20.710   0.2336 0.4431000 0.3296000 
1 1 1    4   12    4 o   45.760   0.2665   45.780   0.4030   45.740   0.3489 0.4280000E-01 0.5331000 
1 1 1    4   12    5 o   27.390   0.1924   27.380   0.2895   27.400   0.2535 -0.2921000E-01 0.3848000 
1 1 1    4   12    6 o   21.810   0.1831   21.940   0.2772   21.680   0.2394 0.2634000 0.3663000 
1 1 1    4   12    7 o   13.210   0.2223   13.320   0.3109   13.100   0.3177 0.2216000 0.4445000 
1 1 1    4   12    8 o   13.220   0.2305   13.210   0.3187   13.220   0.3331 -0.4210000E-02 0.4610000 
1 1 1    4   12    9 o   18.950   0.2072   18.700   0.2937   19.210   0.2923 -0.5152000 0.4144000 
1 1 1    4   12   10 o   26.070   0.2445   26.060   0.3036   26.080   0.3832 -0.2335000E-01 0.4889000 
1 1 1    4   12   11 o   7.5330   0.5920   7.2930   0.9023   7.7730   0.7667 -0.4801000 1.184000 
1 1 1    4   12   12 o   30.120   0.2328   29.860   0.3290   30.380   0.3294 -0.5192000 0.4656000 
1 1 1    4   12   13 o   12.580   0.2848   12.860   0.3988   12.300   0.4066 0.5652000 0.5696000 
1 1 1    4   12   14 o   20.320   0.2714   20.090   0.4286   20.550   0.3329 -0.4619000 0.5427000 
1 1 1    4   12   15 o   21.530   0.2342   21.540   0.3333   21.520   0.3291 0.2161000E-01 0.4684000 
1 1 1    4   12   16 o   15.940   0.2578   16.350   0.3605   15.540   0.3684 0.8098000 0.5155000 
1 1 1    4   12   17 o   12.150   0.4474   12.240   0.5698   12.050   0.6900 0.1919000 0.8948000 
1 1 1    4   12   18 o   6.1860   0.5497   6.3800   0.7666   5.9920   0.7882 0.3879000 1.099000 
1 1 1    4   12   19 f   3.8090   0.7916   3.5450   1.1580   4.0740   1.0790 -0.5289000 1.583000 
1 1 1    4   12   20 o   8.4820   0.4000   8.4780   0.5809   8.4850   0.5499 -0.6992000E-02 0.7999000 
1 1 1    4   12   21 o   8.6810   0.3891   8.7930   0.5646   8.5700   0.5356 0.2237000 0.7782000 
1 1 1    4   12   22 o   10.370   0.3385   9.8980   0.5028   10.840   0.4534 -0.9412000 0.6770000 
1 1 1    4   12   23 o   5.3720   0.6124   5.0980   0.9284   5.6450   0.7987 -0.5464000 1.225000 
1 1 1    4   12   24 o   3.1150   0.7483   2.3720   1.0360   3.8570   1.0800 -1.484000 1.497000 
1 1 1    4   12   25 f   5.0630   0.8261   5.0620   1.1400   5.0640   1.1960 -0.2631000E-02 1.652000 
1 1 1    4   12   26 o   7.2750   0.6585   6.9180   1.1440   7.6320   0.6518 -0.7143000 1.317000 
1 1 1    4   12   27 o   5.5300   0.6494   5.1920   0.9707   5.8680   0.8630 -0.6754000 1.299000 
1 1 1    4   12   28 o   4.0140   0.8028   4.5370   1.0900   3.4900   1.1790 1.047000 1.606000 
1 1 1    4   12   29 o   3.0760   0.8115   3.4150   1.1790   2.7360   1.1160 0.6786000 1.623000 
1 1 1    4   12   30 o   3.0300   0.8680   3.8650   1.3660   2.1950   1.0720 1.669000 1.736000 
1 1 1    4   14    0 o   25.280   0.2300   25.790   0.3567   24.760   0.2905 1.035000 0.4600000 
1 1 1    4   14    1 o   21.670   0.1748   21.590   0.2470   21.750   0.2475 -0.1675000 0.3497000 
1 1 1    4   14    2 o   19.530   0.1763   19.740   0.2490   19.310   0.2496 0.4239000 0.3526000 
1 1 1    4   14    3 o   29.570   0.2051   30.000   0.2692   29.130   0.3095 0.8743000 0.4102000 
1 1 1    4   14    4 o   41.600   0.2516   41.740   0.3809   41.450   0.3288 0.2861000 0.5032000 
1 1 1    4   14    5 o   30.440   0.2099   30.420   0.3166   30.470   0.2758 -0.4161000E-01 0.4199000 
1 1 1    4   14    6 o   36.300   0.2314   36.290   0.3499   36.310   0.3029 -0.2052000E-01 0.4628000 
1 1 1    4   14    7 f   14.050   0.4220  ?   ?    14.050   0.4220      ?      ? 
1 1 1    4   14    8 o   34.990   0.3667   35.230   0.5959   34.760   0.4274 0.4689000 0.7333000 
1 1 1    4   14    9 f   13.390   0.3313   14.190   0.4508   12.600   0.4857 1.596000 0.6627000 
1 1 1    4   14   10 o   15.100   0.2566   15.020   0.3658   15.170   0.3599 -0.1445000 0.5132000 
1 1 1    4   14   11 o   23.630   0.2274   23.840   0.3213   23.420   0.3218 0.4187000 0.4548000 
1 1 1    4   14   12 o   18.130   0.2452   18.050   0.3412   18.210   0.3522 -0.1630000 0.4903000 
1 1 1    4   14   13 o   15.780   0.2660   15.870   0.3653   15.680   0.3869 0.1959000 0.5321000 
1 1 1    4   14   14 o   32.750   0.2488   32.780   0.3518   32.720   0.3518 0.6519000E-01 0.4975000 
1 1 1    4   14   15 o   4.1910   0.9610   4.5310   1.2900   3.8520   1.4250 0.6789000 1.922000 
1 1 1    4   14   16 o   13.440   0.3106   13.200   0.4084   13.680   0.4680 -0.4790000 0.6212000 
1 1 1    4   14   17 o   13.050   0.2951   12.770   0.4266   13.320   0.4080 -0.5560000 0.5903000 
1 1 1    4   14   18 o   16.360   0.2553   16.470   0.3652   16.240   0.3569 0.2351000 0.5107000 
1 1 1    4   14   19 o   10.160   0.3403   10.320   0.4887  10.0000   0.4738 0.3241000 0.6807000 
1 1 1    4   14   20 o   7.5500   0.4445   6.9330   0.6816   8.1680   0.5707 -1.235000 0.8890000 
1 1 1    4   14   21 o   7.2440   0.4575   6.9070   0.6834   7.5800   0.6083 -0.6723000 0.9149000 
1 1 1    4   14   22 o   4.4840   0.7226   5.1350   0.9361   3.8330   1.1010 1.302000 1.445000 
1 1 1    4   14   23 o   11.310   0.3216   11.430   0.4583   11.190   0.4513 0.2446000 0.6432000 
1 1 1    4   14   24 o   6.6460   0.6851   5.9490   1.0600   7.3440   0.8679 -1.396000 1.370000 
1 1 1    4   14   25 o   3.2030   0.8242   2.9690   1.1760   3.4380   1.1550 -0.4694000 1.648000 
1 1 1    4   14   26 o   3.3650   0.8245   3.2690   1.1860   3.4610   1.1460 -0.1924000 1.649000 
1 1 1    4   14   27 o   1.9910   0.6614   1.9790   0.9344   2.0040   0.9364 -0.2540000E-01 1.323000 
1 1 1    4   14   28 o   2.3710   0.7421   2.2800   1.0340   2.4630   1.0650 -0.1830000 1.484000 
1 1 1    4   14   29 o   2.8250   0.8955   2.8440   1.2630   2.8050   1.2700 0.3914000E-01 1.791000 
1 1 1    4   16    0 o   33.670   0.2943   33.510   0.4124   33.830   0.4199 -0.3202000 0.5886000 
1 1 1    4   16    1 o   21.570   0.2647   21.940   0.3683   21.200   0.3803 0.7441000 0.5294000 
1 1 1    4   16    2 o   39.780   0.3246   40.000   0.4587   39.570   0.4594 0.4256000 0.6492000 
1 1 1    4   16    3 o   10.220   0.3853   10.570   0.5215   9.8810   0.5674 0.6867000 0.7707000 
1 1 1    4   16    4 o   63.320   0.4300   63.230   0.6658   63.400   0.5444 -0.1729000 0.8600000 
1 1 1    4   16    5 o   8.9120   0.3422   8.6530   0.5321   9.1710   0.4304 -0.5178000 0.6844000 
1 1 1    4   16    6 o   42.520   0.2631   42.830   0.3992   42.210   0.3428 0.6193000 0.5262000 
1 1 1    4   16    7 o   26.530   0.2134   26.630   0.3216   26.430   0.2806 0.1976000 0.4268000 
1 1 1    4   16    8 o   15.220   0.2463   15.280   0.3715   15.150   0.3235 0.1222000 0.4926000 
1 1 1    4   16    9 o   15.800   0.2441   15.640   0.3666   15.960   0.3224 -0.3228000 0.4882000 
1 1 1    4   16   10 o   24.870   0.2548   24.880   0.3860   24.850   0.3325 0.3810000E-01 0.5095000 
1 1 1    4   16   11 o   22.190   0.2381   22.420   0.3336   21.960   0.3397 0.4639000 0.4761000 
1 1 1    4   16   12 o   23.950   0.2927   23.990   0.4201   23.910   0.4076 0.7588000E-01 0.5853000 
1 1 1    4   16   13 o   11.030   0.4830   9.9650   0.6615   12.090   0.7038 -2.121000 0.9659000 
1 1 1    4   16   14 o   2.1040   0.6800   1.8640   0.8848   2.3450   1.0330 -0.4813000 1.360000 
1 1 1    4   16   15 o   19.130   0.2426   19.230   0.3407   19.020   0.3455 0.2037000 0.4853000 
1 1 1    4   16   16 o   15.090   0.2661   15.110   0.3760   15.060   0.3768 0.5364000E-01 0.5323000 
1 1 1    4   16   17 o   11.810   0.3074   12.190   0.4245   11.420   0.4449 0.7664000 0.6149000 
1 1 1    4   16   18 o   7.5460   0.4418   7.7700   0.6029   7.3230   0.6458 0.4471000 0.8835000 
1 1 1    4   16   19 o   6.7580   0.4935   6.2750   0.7437   7.2420   0.6488 -0.9669000 0.9870000 
1 1 1    4   16   20 o   7.5520   0.4427   7.4090   0.6399   7.6960   0.6120 -0.2866000 0.8855000 
1 1 1    4   16   21 o   5.4300   0.6236   4.7000   0.9926   6.1600   0.7550 -1.461000 1.247000 
1 1 1    4   16   22 o   2.2790   0.7051   1.9280   0.9069   2.6290   1.0800 -0.7016000 1.410000 
1 1 1    4   16   23 o   4.2740   0.9511   3.8280   1.4040   4.7200   1.2840 -0.8924000 1.902000 
1 1 1    4   16   24 o   3.1480   0.8084   2.9370   1.1410   3.3590   1.1450 -0.4223000 1.617000 
1 1 1    4   16   25 o   3.3200   0.8172   3.0790   1.1500   3.5620   1.1610 -0.4834000 1.634000 
1 1 1    4   16   26 o   2.5180   0.7569   2.7130   1.1110   2.3220   1.0290 0.3906000 1.514000 
1 1 1    4   16   27 o   2.8690   0.8189   2.1360   1.0280   3.6030   1.2750 -1.466000 1.638000 
1 1 1    4   16   28 f   3.1270   0.8405   3.5710   1.2100   2.6830   1.1670 0.8889000 1.681000 
1 1 1    4   18    0 o   10.930   0.2839   10.650   0.4090   11.200   0.3937 -0.5565000 0.5678000 
1 1 1    4   18    1 o   17.400   0.2333   17.320   0.3011   17.480   0.3564 -0.1612000 0.4666000 
1 1 1    4   18    2 o   12.230   0.2595   11.990   0.3677   12.470   0.3661 -0.4873000 0.5189000 
1 1 1    4   18    3 o   46.280   0.2609   46.170   0.3675   46.390   0.3704 -0.2209000 0.5218000 
1 1 1    4   18    4 o   25.180   0.2179   25.060   0.3276   25.300   0.2875 -0.2406000 0.4359000 
1 1 1    4   18    5 o   39.360   0.2548   39.220   0.3842   39.490   0.3349 -0.2657000 0.5096000 
1 1 1    4   18    6 o   22.600   0.2219   22.370   0.3348   22.830   0.2914 -0.4588000 0.4439000 
1 1 1    4   18    7 o   21.170   0.2202   21.250   0.3304   21.090   0.2913 0.1632000 0.4405000 
1 1 1    4   18    8 o   6.7330   0.4688   7.3480   0.6399   6.1180   0.6853 1.230000 0.9376000 
1 1 1    4   18    9 o   4.5270   0.8687   5.1220   1.1920   3.9320   1.2640 1.190000 1.737000 
1 1 1    4   18   10 o   13.340   0.3574   12.930   0.5324   13.760   0.4768 -0.8318000 0.7147000 
1 1 1    4   18   11 o   25.890   0.2376   26.220   0.3375   25.570   0.3345 0.6455000 0.4752000 
1 1 1    4   18   12 o   10.740   0.3431   11.370   0.4593   10.110   0.5099 1.258000 0.6862000 
1 1 1    4   18   13 o   13.800   0.2870   14.030   0.3918   13.570   0.4194 0.4644000 0.5739000 
1 1 1    4   18   14 o   11.620   0.3313   11.640   0.4516   11.590   0.4848 0.4906000E-01 0.6625000 
1 1 1    4   18   15 o   13.130   0.2988   13.170   0.4086   13.080   0.4362 0.9478000E-01 0.5977000 
1 1 1    4   18   16 o   2.8340   0.7840   2.6830   1.0910   2.9840   1.1260 -0.3010000 1.568000 
1 1 1    4   18   17 o   3.2610   0.7910   3.3310   1.1280   3.1910   1.1100 0.1401000 1.582000 
1 1 1    4   18   18 o   2.5710   0.7237   3.2160   1.1280   1.9270   0.9071 1.289000 1.447000 
1 1 1    4   18   19 o   5.5060   0.6158   5.3040   0.9062   5.7080   0.8341 -0.4038000 1.232000 
1 1 1    4   18   20 o   3.7630   0.7082   2.5160   1.0540   5.0100   0.9456 -2.494000 1.416000 
1 1 1    4   18   21 o   5.6260   0.8750   5.8330   1.3070   5.4190   1.1640 0.4148000 1.750000 
1 1 1    4   18   22 o   7.6100   0.4979   7.2990   0.7841   7.9200   0.6138 -0.6208000 0.9958000 
1 1 1    4   18   23 o   3.1260   0.7757   2.3940   1.0450   3.8570   1.1470 -1.463000 1.551000 
1 1 1    4   18   24 o   5.1790   0.7043   4.4090   1.1210   5.9490   0.8525 -1.540000 1.409000 
1 1 1    4   18   25 o   3.9830   0.8271   4.3600   1.1580   3.6060   1.1810 0.7539000 1.654000 
1 1 1    4   18   26 o   2.9020   0.8129   1.9980   0.9795   3.8070   1.2980 -1.809000 1.626000 
1 1 1    4   18   27 o   2.2850   0.7344   1.8090   0.8755   2.7600   1.1790 -0.9509000 1.469000 
1 1 1    4   20    0 o   19.250   0.2435   19.360   0.3458   19.140   0.3429 0.2197000 0.4870000 
1 1 1    4   20    1 o   17.890   0.2535   17.950   0.3605   17.830   0.3566 0.1187000 0.5070000 
1 1 1    4   20    2 f   7.5020   0.5796   7.3420   0.8524   7.6620   0.7855 -0.3205000 1.159000 
1 1 1    4   20    3 o   10.580   0.4281   11.230   0.5823   9.9390   0.6278 1.287000 0.8563000 
1 1 1    4   20    4 o   27.080   0.2956   27.130   0.4216   27.040   0.4144 0.9730000E-01 0.5912000 
1 1 1    4   20    5 o   16.730   0.3213   16.880   0.4650   16.570   0.4436 0.3128000 0.6426000 
1 1 1    4   20    6 o   2.6310   0.7509   2.4060   1.0540   2.8570   1.0700 -0.4511000 1.502000 
1 1 1    4   20    7 o   13.370   0.2704   13.270   0.4112   13.470   0.3512 -0.1969000 0.5408000 
1 1 1    4   20    8 o   7.8370   0.4063   7.9970   0.5996   7.6770   0.5484 0.3197000 0.8126000 
1 1 1    4   20    9 o   4.6110   0.6744   4.5830   1.0130   4.6390   0.8909 -0.5605000E-01 1.349000 
1 1 1    4   20   10 o   5.6620   0.5696   6.8020   0.6799   4.5210   0.9140 2.281000 1.139000 
1 1 1    4   20   11 f   5.0580   0.6197   5.2000   0.9170   4.9170   0.8338 0.2833000 1.239000 
1 1 1    4   20   12 o   2.4270   0.7188   2.4160   1.0280   2.4370   1.0050 -0.2068000E-01 1.438000 
1 1 1    4   20   13 o   6.9900   0.4821   7.7180   0.6080   6.2630   0.7482 1.454000 0.9642000 
1 1 1    4   20   14 o   3.1420   0.7794   2.5900   1.0640   3.6940   1.1390 -1.104000 1.559000 
1 1 1    4   20   15 o   2.6540   0.7636   2.8220   1.0930   2.4870   1.0660 0.3352000 1.527000 
1 1 1    4   20   16 o   10.150   0.3686   10.160   0.5160   10.140   0.5264 0.1994000E-01 0.7371000 
1 1 1    4   20   17 o   6.1070   0.5796   6.6790   0.7404   5.5350   0.8919 1.144000 1.159000 
1 1 1    4   20   18 o   2.7060   0.7669   2.4790   1.0470   2.9330   1.1210 -0.4540000 1.534000 
1 1 1    4   20   19 o   5.9930   0.8093   6.7770   1.0880   5.2090   1.1980 1.568000 1.619000 
1 1 1    4   20   20 o   10.050   0.4005   10.450   0.5907   9.6600   0.5409 0.7902000 0.8009000 
1 1 1    4   20   21 o   10.570   0.3661   10.220   0.5340   10.910   0.5009 -0.6958000 0.7322000 
1 1 1    4   20   22 o   1.6320   0.5696   1.7510   0.8511   1.5120   0.7574 0.2399000 1.139000 
1 1 1    4   20   23 o   1.9010   0.6403   1.7970   0.8698   2.0040   0.9400 -0.2073000 1.281000 
1 1 1    4   20   24 o   2.3160   0.7702   2.7030   1.2200   1.9300   0.9398 0.7731000 1.540000 
1 1 1    4   20   25 o   2.7170   0.8062   2.3550   1.0470   3.0780   1.2260 -0.7228000 1.612000 
1 1 1    4   22    0 f   24.810   0.2094   24.790   0.2946   24.840   0.2976 -0.5093000E-01 0.4188000 
1 1 1    4   22    1 o   10.340   0.3027   10.010   0.4345   10.660   0.4217 -0.6431000 0.6055000 
1 1 1    4   22    2 o   10.080   0.3134   10.040   0.4437   10.120   0.4426 -0.8818000E-01 0.6268000 
1 1 1    4   22    3 o   22.490   0.2104   22.630   0.2959   22.360   0.2992 0.2684000 0.4208000 
1 1 1    4   22    4 o   15.070   0.2394   15.410   0.3332   14.730   0.3438 0.6830000 0.4788000 
1 1 1    4   22    5 o   7.8090   0.4244   8.5480   0.5938   7.0710   0.6065 1.478000 0.8488000 
1 1 1    4   22    6 o   6.2000   0.5222   6.1290   0.8059   6.2720   0.6643 -0.1426000 1.044000 
1 1 1    4   22    7 o   12.660   0.2793   12.460   0.4246   12.850   0.3631 -0.3829000 0.5586000 
1 1 1    4   22    8 o   3.4000   0.7714   3.7250   1.1200   3.0750   1.0610 0.6497000 1.543000 
1 1 1    4   22    9 o   3.2330   0.7671   3.4640   1.1220   3.0020   1.0470 0.4622000 1.534000 
1 1 1    4   22   10 f   4.2480   0.6358   5.9500   0.7745   2.5460   1.0090 3.404000 1.272000 
1 1 1    4   22   11 o   11.120   0.2970   11.230   0.4477   11.000   0.3904 0.2246000 0.5940000 
1 1 1    4   22   12 o   2.7020   0.7475   2.7960   1.0960   2.6090   1.0170 0.1867000 1.495000 
1 1 1    4   22   13 o   2.1080   0.6668   2.0520   0.9385   2.1630   0.9476 -0.1111000 1.334000 
1 1 1    4   22   14 o   7.0690   0.4371   7.1960   0.6526   6.9420   0.5817 0.2538000 0.8742000 
1 1 1    4   22   15 o   3.6500   0.7085   4.9230   0.9802   2.3770   1.0230 2.546000 1.417000 
1 1 1    4   22   16 o   4.5410   0.9064   5.0410   1.1700   4.0420   1.3850 0.9992000 1.813000 
1 1 1    4   22   17 o   6.0720   0.8990   6.4440   1.2270   5.7010   1.3150 0.7427000 1.798000 
1 1 1    4   22   18 f   3.2090   0.8091   3.6020   1.1470   2.8160   1.1420 0.7862000 1.618000 
1 1 1    4   22   19 o   4.3050   0.8042   4.0050   1.1720   4.6060   1.1010 -0.6008000 1.608000 
1 1 1    4   22   20 o   1.9020   0.6415   2.0780   0.9638   1.7250   0.8470 0.3532000 1.283000 
1 1 1    4   22   21 o   3.4230   0.8315   3.7780   1.1700   3.0680   1.1820 0.7108000 1.663000 
1 1 1    4   22   22 o   2.7960   0.8462   3.4820   1.3560   2.1090   1.0130 1.373000 1.692000 
1 1 1    4   22   23 o   2.7210   0.8083   2.9550   1.1570   2.4870   1.1290 0.4682000 1.617000 
1 1 1    4   24    0 o   12.570   0.2654   12.640   0.3728   12.510   0.3777 0.1269000 0.5307000 
1 1 1    4   24    1 o   8.1440   0.3663   7.8470   0.5322   8.4400   0.5035 -0.5933000 0.7326000 
1 1 1    4   24    2 o   3.9590   0.6952   4.5510   0.9025   3.3660   1.0580 1.185000 1.390000 
1 1 1    4   24    3 o   6.8580   0.4337   6.2650   0.6577   7.4510   0.5655 -1.186000 0.8674000 
1 1 1    4   24    4 o   11.280   0.2818   11.370   0.3944   11.200   0.4025 0.1734000 0.5635000 
1 1 1    4   24    5 f   10.380   0.3319   10.620   0.4999   10.150   0.4368 0.4729000 0.6638000 
1 1 1    4   24    6 f   4.3590   0.7110   3.9110   1.1450   4.8070   0.8438 -0.8959000 1.422000 
1 1 1    4   24    7 o   4.5190   0.7044   4.6120   1.0580   4.4250   0.9302 0.1874000 1.409000 
1 1 1    4   24    8 o   9.8600   0.3385   9.5030   0.5244   10.220   0.4283 -0.7128000 0.6770000 
1 1 1    4   24    9 o   3.9500   0.7240   3.5860   1.1080   4.3140   0.9320 -0.7282000 1.448000 
1 1 1    4   24   10 o   3.8720   0.7359   3.5840   1.1140   4.1600   0.9622 -0.5763000 1.472000 
1 1 1    4   24   11 o   14.190   0.2581   14.030   0.3934   14.340   0.3341 -0.3116000 0.5162000 
1 1 1    4   24   12 o   8.5700   0.4614   8.2700   0.7187   8.8690   0.5787 -0.5986000 0.9227000 
1 1 1    4   24   13 o   4.1980   0.9422   3.6940   1.3890   4.7020   1.2730 -1.007000 1.884000 
1 1 1    4   24   14 o   6.7250   0.5692   6.6030   0.8536   6.8470   0.7533 -0.2434000 1.138000 
1 1 1    4   24   15 o   2.4060   0.7219   2.7540   1.1030   2.0580   0.9319 0.6966000 1.444000 
1 1 1    4   24   16 o   7.3570   0.4450   7.4360   0.6509   7.2770   0.6071 0.1596000 0.8901000 
1 1 1    4   24   17 o   3.7060   0.7165   2.2810   1.0140   5.1300   1.0130 -2.849000 1.433000 
1 1 1    4   24   18 o   2.2290   0.7135   2.3160   1.0340   2.1410   0.9836 0.1748000 1.427000 
1 1 1    4   24   19 o   6.9880   0.5707   6.3790   0.8709   7.5970   0.7378 -1.218000 1.141000 
1 1 1    4   24   20 o   2.2190   0.7549   2.1430   1.0340   2.2960   1.1000 -0.1522000 1.510000 
1 1 1    4   24   21 o   2.7390   0.8136   2.1660   0.9990   3.3130   1.2840 -1.147000 1.627000 
1 1 1    4   26    0 o   4.9830   0.6033   5.6710   0.7179   4.2960   0.9698 1.375000 1.207000 
1 1 1    4   26    1 o   7.6470   0.3892   7.6760   0.5508   7.6170   0.5499 0.5851000E-01 0.7783000 
1 1 1    4   26    2 o   7.3140   0.4045   8.0330   0.5246   6.5950   0.6158 1.438000 0.8090000 
1 1 1    4   26    3 o   7.7330   0.3781   7.6350   0.5439   7.8300   0.5253 -0.1957000 0.7561000 
1 1 1    4   26    4 o   8.7290   0.3410   8.7410   0.4788   8.7160   0.4857 0.2461000E-01 0.6820000 
1 1 1    4   26    5 o   3.6660   0.7675   3.4940   1.1520   3.8370   1.0150 -0.3428000 1.535000 
1 1 1    4   26    6 o   6.2960   0.6216   5.5660   1.0490   7.0260   0.6669 -1.460000 1.243000 
1 1 1    4   26    7 o   10.020   0.5338   10.050   0.8249   9.9860   0.6777 0.6055000E-01 1.068000 
1 1 1    4   26    8 o   5.0190   0.9347   5.2050   1.3740   4.8330   1.2680 0.3716000 1.869000 
1 1 1    4   26    9 o   8.0760   0.6370   8.1720   0.9697   7.9800   0.8262 0.1921000 1.274000 
1 1 1    4   26   10 o   4.5970   0.6921   5.3460   0.8986   3.8490   1.0530 1.497000 1.384000 
1 1 1    4   26   11 o   4.2150   0.7461   4.4270   1.0700   4.0020   1.0400 0.4255000 1.492000 
1 1 1    4   26   12 o   7.8320   0.4334   7.9180   0.6421   7.7450   0.5823 0.1729000 0.8668000 
1 1 1    4   26   13 o   2.7130   0.7665   2.9330   1.1330   2.4930   1.0320 0.4408000 1.533000 
1 1 1    4   26   14 o   1.8680   0.6174   1.5120   0.7528   2.2240   0.9787 -0.7123000 1.235000 
1 1 1    4   26   15 o   5.1690   0.6511   4.7710   1.0320   5.5670   0.7946 -0.7960000 1.302000 
1 1 1    4   26   16 o   2.5830   0.7914   2.7690   1.2050   2.3960   1.0270 0.3732000 1.583000 
1 1 1    4   26   17 o   2.4320   0.7897   2.4500   1.1290   2.4140   1.1050 0.3633000E-01 1.579000 
1 1 1    4   26   18 o   2.0870   0.6847   2.1230   0.9766   2.0510   0.9600 0.7224000E-01 1.369000 
1 1 1    4   28    0 o   2.7120   0.6802   3.6640   1.0600   1.7590   0.8531 1.905000 1.360000 
1 1 1    4   28    1 o   3.4970   0.7513   3.3610   1.0710   3.6340   1.0540 -0.2733000 1.503000 
1 1 1    4   28    2 o   1.8420   0.6102   1.9020   0.8829   1.7830   0.8425 0.1200000 1.220000 
1 1 1    4   28    3 o   4.0580   0.7158   3.9500   1.0250   4.1650   0.9991 -0.2155000 1.432000 
1 1 1    4   28    4 o   3.1680   0.6233   1.7230   0.8257   4.6120   0.9338 -2.889000 1.247000 
1 1 1    4   28    5 o   4.5310   0.7133   3.5090   1.1870   5.5520   0.7919 -2.043000 1.427000 
1 1 1    4   28    6 o   4.7510   0.7126   4.9680   1.0540   4.5330   0.9592 0.4354000 1.425000 
1 1 1    4   28    7 o   2.7370   0.7777   2.9640   1.1630   2.5100   1.0330 0.4534000 1.555000 
1 1 1    4   28    8 o   7.0050   0.5025   6.4370   0.8181   7.5740   0.5838 -1.137000 1.005000 
1 1 1    4   28    9 o   4.5480   0.6937   5.8390   0.8599   3.2560   1.0890 2.582000 1.387000 
1 1 1    4   28   10 f   3.2480   0.7289   2.4030   1.0450   4.0920   1.0160 -1.689000 1.458000 
1 1 1    4   28   11 o   7.3440   0.5581   7.1110   0.9413   7.5760   0.6000 -0.4644000 1.116000 
1 1 1    4   28   12 o   4.8810   0.7801   3.4820   1.3050   6.2790   0.8553 -2.797000 1.560000 
1 1 1    4   28   13 o   2.8070   0.8152   1.9660   0.9590   3.6490   1.3190 -1.683000 1.630000 
1 1 1    4   28   14 o   2.6810   0.7913   2.8590   1.1500   2.5020   1.0870 0.3566000 1.583000 
1 1 1    4   28   15 o   2.3020   0.7682   2.1470   1.0340   2.4560   1.1360 -0.3082000 1.536000 
1 1 1    4   30    0 o   3.6210   0.7797   3.7080   1.1080   3.5340   1.0970 0.1742000 1.559000 
1 1 1    4   30    1 o   2.5780   0.7457   2.5790   1.0580   2.5770   1.0520 0.2063000E-02 1.491000 
1 1 1    4   30    2 o   2.3530   0.7159   2.3950   1.0220   2.3110   1.0030 0.8323000E-01 1.432000 
1 1 1    4   30    3 o   3.7250   0.7761   4.0870   1.0730   3.3640   1.1210 0.7230000 1.552000 
1 1 1    4   30    4 o   5.4450   0.7035   5.1900   1.0350   5.6990   0.9528 -0.5090000 1.407000 
1 1 1    4   30    5 o   2.4120   0.7565   2.5550   1.1090   2.2700   1.0290 0.2855000 1.513000 
1 1 1    4   30    6 o   2.8320   0.8704   2.9030   1.2680   2.7600   1.1930 0.1428000 1.741000 
1 1 1    4   30    7 o   2.6070   0.8255   2.4410   1.1340   2.7730   1.2000 -0.3322000 1.651000 
1 1 1    4   30    8 o   2.1480   0.7234   2.2670   1.0690   2.0300   0.9750 0.2371000 1.447000 
1 1 1    4   30    9 o   3.8660   0.7949   4.2640   1.1480   3.4680   1.0990 0.7962000 1.590000 
1 1 1    5    1    0 o   56.000   0.3215   55.690   0.4522   56.310   0.4572 -0.6281000 0.6430000 
1 1 1    5    1    1 o   47.150   0.2719   47.290   0.3857   47.000   0.3832 0.2968000 0.5437000 
1 1 1    5    1    2 o   35.040   0.2050   35.320   0.2921   34.760   0.2876 0.5529000 0.4099000 
1 1 1    5    1    3 o   29.860   0.2675   29.800   0.4357   29.920   0.3105 -0.1219000 0.5350000 
1 1 1    5    1    4 o   46.290   0.2703   46.280   0.3823   46.300   0.3823 -0.2271000E-01 0.5407000 
1 1 1    5    1    5 o   32.240   0.1958   32.450   0.2786   32.040   0.2752 0.4101000 0.3916000 
1 1 1    5    1    6 o   93.570   0.5034   93.780   0.6606   93.350   0.7598 0.4311000 1.007000 
1 1 1    5    1    7 o   25.480   0.1570   25.800   0.2073   25.160   0.2359 0.6369000 0.3141000 
1 1 1    5    1    8 o   36.440   0.3362   36.370   0.3869   36.510   0.5498 -0.1340000 0.6723000 
1 1 1    5    1    9 o   18.850   0.1649   18.590   0.1874   19.110   0.2713 -0.5230000 0.3298000 
1 1 1    5    1   10 o   34.320   0.2029   34.590   0.2670   34.040   0.3056 0.5552000 0.4058000 
1 1 1    5    1   11 o   33.520   0.2013   33.640   0.2640   33.400   0.3040 0.2399000 0.4026000 
1 1 1    5    1   12 o   7.6850   0.2429   7.5020   0.3219   7.8680   0.3639 -0.3661000 0.4858000 
1 1 1    5    1   13 o   20.400   0.1670   20.520   0.2190   20.280   0.2522 0.2438000 0.3340000 
1 1 1    5    1   14 o   24.890   0.1786   25.190   0.2351   24.580   0.2688 0.6047000 0.3571000 
1 1 1    5    1   15 o   44.430   0.2597   44.620   0.3410   44.240   0.3918 0.3822000 0.5194000 
1 1 1    5    1   16 o   39.860   0.4501   39.860   0.4501  ?   ?       ?      ? 
1 1 1    5    1   17 o   6.6310   0.5829   6.6380   0.8175   6.6240   0.8312 0.1345000E-01 1.166000 
1 1 1    5    1   18 o   11.460   0.2986   11.800   0.3738   11.120   0.4657 0.6767000 0.5971000 
1 1 1    5    1   19 o   23.010   0.2186   22.980   0.2828   23.040   0.3333 -0.6130000E-01 0.4371000 
1 1 1    5    1   20 o   14.000   0.2607   13.760   0.3460   14.240   0.3899 -0.4812000 0.5213000 
1 1 1    5    1   21 o   15.940   0.3940   16.290   0.4454   15.590   0.6500 0.7037000 0.7879000 
1 1 1    5    1   22 o   12.550   0.2714   12.040   0.3653   13.070   0.4014 -1.036000 0.5427000 
1 1 1    5    1   23 o   3.8020   0.7468   3.5230   1.0340   4.0820   1.0780 -0.5586000 1.494000 
1 1 1    5    1   24 o   17.450   0.2299   17.610   0.3000   17.280   0.3484 0.3306000 0.4598000 
1 1 1    5    1   25 o   5.6770   0.5624   5.9470   0.6921   5.4070   0.8868 0.5400000 1.125000 
1 1 1    5    1   26 o   6.7500   0.4605   6.8230   0.6039   6.6770   0.6954 0.1459000 0.9210000 
1 1 1    5    1   27 o   5.7120   0.5977   6.8620   0.6041   4.5630   1.0320 2.299000 1.195000 
1 1 1    5    1   28 f   5.3890   0.7331   5.7560   0.8823   5.0220   1.1710 0.7342000 1.466000 
1 1 1    5    1   29 o   2.3500   0.7279   2.3800   1.0380   2.3200   1.0210 0.5989000E-01 1.456000 
1 1 1    5    1   30 o   4.7750   0.7364   4.5120   1.0810   5.0390   1.0000 -0.5266000 1.473000 
1 1 1    5    1   31 o   4.6070   0.7229   5.7940   0.8561   3.4200   1.1650 2.374000 1.446000 
1 1 1    5    1   32 o   5.8170   1.0580   7.1030   1.3830   4.5320   1.6000 2.571000 2.115000 
1 1 1    5    1   33 o   4.3190   0.7780   3.3790   1.1940   5.2590   0.9972 -1.880000 1.556000 
1 1 1    5    3    0 o   8.6990   0.0994   9.1170   0.1395   8.2810   0.1417 0.8352000 0.1989000 
1 1 1    5    3    1 o   41.690   0.2717   41.440   0.4186   41.930   0.3466 -0.4932000 0.5435000 
1 1 1    5    3    2 o   20.460   0.2003   20.610   0.3244   20.310   0.2349 0.3048000 0.4005000 
1 1 1    5    3    3 o   30.190   0.2077   29.680   0.2572   30.690   0.3263 -1.004000 0.4155000 
1 1 1    5    3    4 o   26.680   0.1685   26.620   0.2381   26.740   0.2386 -0.1159000 0.3371000 
1 1 1    5    3    5 o   27.420   0.1746   27.460   0.2473   27.380   0.2466 0.8017000E-01 0.3493000 
1 1 1    5    3    6 o   99.090   0.5703   99.010   0.8059   99.180   0.8072 -0.1745000 1.141000 
1 1 1    5    3    7 o   18.430   0.1661   18.810   0.2094   18.050   0.2579 0.7566000 0.3322000 
1 1 1    5    3    8 o   23.910   0.2502   23.930   0.2922   23.890   0.4061 0.4060000E-01 0.5003000 
1 1 1    5    3    9 o   37.540   0.2325   37.630   0.3292   37.450   0.3285 0.1732000 0.4650000 
1 1 1    5    3   10 o   7.1510   0.2988   6.1510   0.5078   8.1510   0.3148 -2.000000 0.5975000 
1 1 1    5    3   11 o   7.8070   0.2492   8.1090   0.3414   7.5050   0.3632 0.6034000 0.4985000 
1 1 1    5    3   12 o   19.300   0.1759   19.550   0.2508   19.040   0.2467 0.5134000 0.3518000 
1 1 1    5    3   13 o   33.490   0.2073   33.640   0.2727   33.350   0.3123 0.2860000 0.4146000 
1 1 1    5    3   14 o   7.4490   0.2984   7.8370   0.3670   7.0610   0.4708 0.7760000 0.5969000 
1 1 1    5    3   15 o   28.500   0.1988   28.180   0.2577   28.820   0.3027 -0.6382000 0.3975000 
1 1 1    5    3   16 o   10.350   0.3628   10.460   0.4856   10.240   0.5391 0.2189000 0.7255000 
1 1 1    5    3   17 o   18.740   0.2195   18.950   0.3058   18.520   0.3150 0.4315000 0.4390000 
1 1 1    5    3   18 o   3.9330   0.7500   3.4220   1.0510   4.4430   1.0700 -1.021000 1.500000 
1 1 1    5    3   19 o   17.850   0.2318   17.700   0.3032   18.010   0.3508 -0.3093000 0.4637000 
1 1 1    5    3   20 o   25.310   0.2145   25.580   0.2803   25.030   0.3247 0.5497000 0.4290000 
1 1 1    5    3   21 o   12.030   0.4625   12.090   0.5401   11.970   0.7509 0.1187000 0.9250000 
1 1 1    5    3   22 o   10.290   0.3171   10.660   0.4002   9.9120   0.4918 0.7515000 0.6341000 
1 1 1    5    3   23 o   8.7910   0.3540   8.9170   0.4536   8.6660   0.5435 0.2505000 0.7079000 
1 1 1    5    3   24 o   9.7150   0.3324   10.310   0.4111   9.1220   0.5225 1.187000 0.6648000 
1 1 1    5    3   25 o   5.4040   0.5728   5.5610   0.7127   5.2470   0.8969 0.3142000 1.146000 
1 1 1    5    3   26 o   3.6180   0.7136   4.2970   0.9032   2.9380   1.1050 1.359000 1.427000 
1 1 1    5    3   27 o   3.3810   0.7635   3.3590   1.0390   3.4030   1.1190 -0.4335000E-01 1.527000 
1 1 1    5    3   28 o   3.4330   0.8557   2.8600   1.1570   4.0060   1.2610 -1.147000 1.711000 
1 1 1    5    3   29 o   3.9540   0.7701   3.7980   1.0670   4.1090   1.1110 -0.3110000 1.540000 
1 1 1    5    3   30 o   2.7640   0.7728   2.7660   1.0720   2.7610   1.1140 0.4829000E-02 1.546000 
1 1 1    5    3   31 o   2.6830   0.7687   2.3650   1.0150   3.0000   1.1540 -0.6351000 1.537000 
1 1 1    5    3   32 o   2.6090   0.8387   2.9670   1.2660   2.2510   1.1010 0.7157000 1.677000 
1 1 1    5    3   33 o   2.4420   0.7464   2.2310   0.9914   2.6530   1.1160 -0.4224000 1.493000 
1 1 1    5    5    0 o   24.450   0.1382   24.500   0.1957   24.400   0.1951 0.1014000 0.2763000 
1 1 1    5    5    1 o   15.400   0.1127   15.320   0.1596   15.490   0.1592 -0.1694000 0.2255000 
1 1 1    5    5    2 o   48.170   0.2838   48.350   0.4028   47.990   0.4000 0.3625000 0.5677000 
1 1 1    5    5    3 o   86.890   0.5010   86.910   0.7087   86.870   0.7083 0.4459000E-01 1.002000 
1 1 1    5    5    4 o  102.600   0.5907  102.100   0.8307  103.200   0.8402 -1.167000 1.181000 
1 1 1    5    5    5 o   53.760   0.3163   53.650   0.4463   53.880   0.4484 -0.2322000 0.6327000 
1 1 1    5    5    6 f   58.010   0.3809   57.870   0.4811   58.150   0.5908 -0.2809000 0.7619000 
1 1 1    5    5    7 o   47.280   0.4238   47.430   0.4933   47.120   0.6891 0.3077000 0.8475000 
1 1 1    5    5    8 o   19.520   0.1610   19.520   0.2285   19.510   0.2270 0.1163000E-01 0.3221000 
1 1 1    5    5    9 o   1.7070   0.5072   2.1350   0.8068   1.2780   0.6150 0.8570000 1.014000 
1 1 1    5    5   10 o   11.800   0.1907   11.840   0.2679   11.760   0.2715 0.7954000E-01 0.3814000 
1 1 1    5    5   11 o   18.110   0.1766   18.170   0.2492   18.050   0.2502 0.1236000 0.3531000 
1 1 1    5    5   12 o   21.230   0.2059   20.650   0.3207   21.800   0.2584 -1.152000 0.4119000 
1 1 1    5    5   13 o   24.970   0.1946   24.800   0.2750   25.140   0.2753 -0.3354000 0.3891000 
1 1 1    5    5   14 o   6.4230   0.4000   6.2800   0.5760   6.5660   0.5552 -0.2858000 0.8000000 
1 1 1    5    5   15 o   11.440   0.2740   11.320   0.3901   11.570   0.3850 -0.2500000 0.5480000 
1 1 1    5    5   16 o   18.560   0.3208   18.830   0.5139   18.280   0.3840 0.5524000 0.6415000 
1 1 1    5    5   17 f   6.8920   0.4801   6.2820   0.7323   7.5020   0.6212 -1.220000 0.9603000 
1 1 1    5    5   18 o   12.980   0.2761   12.590   0.3683   13.380   0.4114 -0.7866000 0.5521000 
1 1 1    5    5   19 o   14.860   0.2532   14.860   0.3293   14.870   0.3847 -0.1025000E-01 0.5064000 
1 1 1    5    5   20 o   28.480   0.3487   28.370   0.4089   28.600   0.5650 -0.2339000 0.6974000 
1 1 1    5    5   21 o   3.2020   0.8341   3.3010   1.1400   3.1040   1.2180 0.1962000 1.668000 
1 1 1    5    5   22 o   10.420   0.3114   10.590   0.4057   10.240   0.4725 0.3474000 0.6228000 
1 1 1    5    5   23 o   8.0830   0.3821   8.1240   0.4999   8.0430   0.5779 0.8086000E-01 0.7641000 
1 1 1    5    5   24 o   16.500   0.2341   16.390   0.3060   16.600   0.3543 -0.2130000 0.4682000 
1 1 1    5    5   25 o   6.2890   0.4800   5.9420   0.6717   6.6360   0.6858 -0.6943000 0.9599000 
1 1 1    5    5   26 o   3.2110   0.7636   3.0000   1.0390   3.4210   1.1200 -0.4208000 1.527000 
1 1 1    5    5   27 o   2.3120   0.6985   2.0690   0.9197   2.5550   1.0510 -0.4855000 1.397000 
1 1 1    5    5   28 o   10.560   0.4148   10.790   0.5468   10.320   0.6239 0.4667000 0.8296000 
1 1 1    5    5   29 o   3.9480   0.7593   3.6850   1.0640   4.2120   1.0840 -0.5270000 1.519000 
1 1 1    5    5   30 o   2.9960   0.7744   2.4780   1.0360   3.5150   1.1510 -1.037000 1.549000 
1 1 1    5    5   31 o   4.3660   0.7557   3.7410   1.1030   4.9910   1.0340 -1.250000 1.511000 
1 1 1    5    5   32 o   3.3350   0.9752   2.7290   1.2120   3.9420   1.5280 -1.213000 1.950000 
1 1 1    5    7    0 f   38.160   0.2020   38.480   0.2877   37.840   0.2836 0.6462000 0.4040000 
1 1 1    5    7    1 o   7.7220   0.1733   7.8240   0.2428   7.6210   0.2472 0.2034000 0.3465000 
1 1 1    5    7    2 o   28.140   0.1738   28.140   0.2628   28.130   0.2275 0.5981000E-02 0.3475000 
1 1 1    5    7    3 o  102.500   0.6615  102.600   0.8381  102.300   1.0240 0.2961000 1.323000 
1 1 1    5    7    4 o   60.810   0.5364   60.770   0.6192   60.860   0.8761 -0.8067000E-01 1.073000 
1 1 1    5    7    5 o   42.390   0.3873   41.950   0.4438   42.840   0.6347 -0.8932000 0.7745000 
1 1 1    5    7    6 o   2.2430   0.5591   1.9360   0.7671   2.5490   0.8136 -0.6126000 1.118000 
1 1 1    5    7    7 o   8.0480   0.2348   7.7480   0.3395   8.3470   0.3246 -0.5989000 0.4697000 
1 1 1    5    7    8 o   10.480   0.2016   10.320   0.2861   10.640   0.2840 -0.3207000 0.4031000 
1 1 1    5    7    9 o   55.430   0.3317   55.700   0.4712   55.170   0.4669 0.5210000 0.6633000 
1 1 1    5    7   10 o   2.2410   0.5751   1.5920   0.7401   2.8900   0.8804 -1.298000 1.150000 
1 1 1    5    7   11 o   4.8260   0.4539   4.5600   0.6833   5.0910   0.5977 -0.5311000 0.9078000 
1 1 1    5    7   12 o   20.960   0.1887   21.060   0.2676   20.860   0.2662 0.2035000 0.3775000 
1 1 1    5    7   13 o   16.740   0.2042   16.690   0.2888   16.780   0.2889 -0.8948000E-01 0.4085000 
1 1 1    5    7   14 o   45.230   0.2858   44.800   0.4017   45.660   0.4067 -0.8582000 0.5717000 
1 1 1    5    7   15 o   13.870   0.3647   13.440   0.5823   14.300   0.4393 -0.8588000 0.7294000 
1 1 1    5    7   16 o   9.1460   0.3574   9.7680   0.4753   8.5230   0.5339 1.246000 0.7148000 
1 1 1    5    7   17 o   12.700   0.3014   12.440   0.4381   12.960   0.4141 -0.5149000 0.6029000 
1 1 1    5    7   18 o   9.0950   0.4007   8.2470   0.6155   9.9430   0.5133 -1.695000 0.8015000 
1 1 1    5    7   19 o   27.890   0.2338   27.610   0.3308   28.170   0.3304 -0.5591000 0.4675000 
1 1 1    5    7   20 o   18.170   0.3537   17.900   0.4355   18.450   0.5576 -0.5504000 0.7075000 
1 1 1    5    7   21 o   2.6940   0.7549   3.0440   1.1130   2.3440   1.0210 0.7000000 1.510000 
1 1 1    5    7   22 o   2.5470   0.7292   2.6560   1.0270   2.4370   1.0350 0.2190000 1.458000 
1 1 1    5    7   23 o   6.6000   0.4653   6.5910   0.6051   6.6090   0.7071 -0.1872000E-01 0.9307000 
1 1 1    5    7   24 o   7.6420   0.4031   6.9900   0.5701   8.2940   0.5701 -1.304000 0.8062000 
1 1 1    5    7   25 o   7.3660   0.4132   7.1450   0.5586   7.5870   0.6089 -0.4425000 0.8263000 
1 1 1    5    7   26 o   10.200   0.3184   9.8430   0.4298   10.560   0.4699 -0.7189000 0.6368000 
1 1 1    5    7   27 o   2.9680   0.7966   3.4000   1.1370   2.5360   1.1170 0.8644000 1.593000 
1 1 1    5    7   28 o   7.4450   0.4578   7.2580   0.6524   7.6320   0.6424 -0.3738000 0.9156000 
1 1 1    5    7   29 o   8.6520   0.3971   8.8370   0.5209   8.4680   0.5995 0.3692000 0.7942000 
1 1 1    5    7   30 o   1.9310   0.6405   2.0440   0.9347   1.8180   0.8761 0.2264000 1.281000 
1 1 1    5    7   31 o   2.2870   0.7307   2.6450   1.1230   1.9290   0.9351 0.7159000 1.461000 
1 1 1    5    7   32 o   2.5250   0.7901   2.2090   1.0070   2.8410   1.2180 -0.6324000 1.580000 
1 1 1    5    9    0 o   2.1430   0.5068   2.9880   0.7982   1.2970   0.6248 1.691000 1.014000 
1 1 1    5    9    1 o   39.100   0.2433   39.070   0.3438   39.130   0.3442 -0.6036000E-01 0.4865000 
1 1 1    5    9    2 o   31.890   0.1811   31.860   0.2555   31.930   0.2566 -0.6257000E-01 0.3621000 
1 1 1    5    9    3 o   30.840   0.2063   31.260   0.2928   30.420   0.2906 0.8332000 0.4125000 
1 1 1    5    9    4 o   31.830   0.2104   31.800   0.2968   31.860   0.2983 -0.6148000E-01 0.4208000 
1 1 1    5    9    5 o   10.570   0.2056   10.710   0.2876   10.430   0.2938 0.2757000 0.4111000 
1 1 1    5    9    6 o   20.270   0.1777   20.700   0.2516   19.840   0.2510 0.8681000 0.3554000 
1 1 1    5    9    7 o   40.970   0.2570   40.790   0.3622   41.140   0.3648 -0.3526000 0.5141000 
1 1 1    5    9    8 o   48.450   0.2965   48.230   0.4170   48.670   0.4216 -0.4423000 0.5929000 
1 1 1    5    9    9 o   46.340   0.2867   46.140   0.4036   46.540   0.4074 -0.4029000 0.5734000 
1 1 1    5    9   10 o   17.790   0.1910   18.000   0.2676   17.580   0.2726 0.4222000 0.3819000 
1 1 1    5    9   11 o   41.200   0.2630   40.990   0.3707   41.420   0.3732 -0.4273000 0.5260000 
1 1 1    5    9   12 o   25.110   0.2073   25.090   0.2963   25.130   0.2901 -0.3885000E-01 0.4146000 
1 1 1    5    9   13 o   11.930   0.3763   11.600   0.5961   12.270   0.4593 -0.6719000 0.7525000 
1 1 1    5    9   14 o   28.420   0.3326   29.310   0.5398   27.540   0.3888 1.773000 0.6653000 
1 1 1    5    9   15 o   12.780   0.2834   12.630   0.4086   12.920   0.3927 -0.2868000 0.5668000 
1 1 1    5    9   16 o   28.220   0.2343   27.880   0.3310   28.550   0.3318 -0.6710000 0.4686000 
1 1 1    5    9   17 o   29.140   0.2377   28.990   0.3366   29.300   0.3356 -0.3035000 0.4753000 
1 1 1    5    9   18 o   4.2370   0.7549   5.0530   0.9614   3.4220   1.1640 1.632000 1.510000 
1 1 1    5    9   19 o   7.9150   0.6096   7.8560   0.7817   7.9750   0.9356 -0.1195000 1.219000 
1 1 1    5    9   20 o   19.560   0.2361   19.430   0.3390   19.680   0.3288 -0.2513000 0.4723000 
1 1 1    5    9   21 o   6.8710   0.4924   6.2310   0.7668   7.5120   0.6180 -1.281000 0.9848000 
1 1 1    5    9   22 o   11.900   0.3010   11.540   0.4367   12.250   0.4143 -0.7118000 0.6019000 
1 1 1    5    9   23 o   15.470   0.2608   15.350   0.3711   15.580   0.3665 -0.2266000 0.5216000 
1 1 1    5    9   24 o   4.1670   0.7432   3.6880   1.1040   4.6470   0.9950 -0.9593000 1.486000 
1 1 1    5    9   25 o   3.5180   0.7940   3.2890   1.1350   3.7470   1.1110 -0.4588000 1.588000 
1 1 1    5    9   26 o   6.7620   0.4676   7.2340   0.5745   6.2900   0.7380 0.9439000 0.9353000 
1 1 1    5    9   27 o   2.3260   0.7516   2.1420   1.0030   2.5110   1.1200 -0.3687000 1.503000 
1 1 1    5    9   28 o   9.4300   0.3702   9.1400   0.5129   9.7200   0.5341 -0.5797000 0.7405000 
1 1 1    5    9   29 o   3.9970   0.7846   4.1450   1.0530   3.8480   1.1630 0.2965000 1.569000 
1 1 1    5    9   30 o   2.7650   0.7836   2.4330   1.0440   3.0970   1.1690 -0.6647000 1.567000 
1 1 1    5    9   31 o   3.2290   0.9444   3.4660   1.3340   2.9920   1.3380 0.4739000 1.889000 
1 1 1    5    9   32 o   2.0310   1.0220   2.0310   1.0220  ?   ?       ?      ? 
1 1 1    5   11    0 o   21.990   0.1585   22.040   0.2240   21.950   0.2242 0.9176000E-01 0.3169000 
1 1 1    5   11    1 o   21.050   0.1573   21.030   0.2222   21.070   0.2229 -0.4171000E-01 0.3147000 
1 1 1    5   11    2 o   15.430   0.1630   15.660   0.2301   15.190   0.2308 0.4703000 0.3259000 
1 1 1    5   11    3 o   6.4050   0.3190   6.4620   0.4800   6.3490   0.4202 0.1127000 0.6380000 
1 1 1    5   11    4 o   22.600   0.1760   22.740   0.2652   22.470   0.2316 0.2694000 0.3521000 
1 1 1    5   11    5 o   10.970   0.2122   10.580   0.3227   11.360   0.2756 -0.7823000 0.4243000 
1 1 1    5   11    6 o   16.140   0.1945   16.110   0.2748   16.170   0.2752 -0.5155000E-01 0.3889000 
1 1 1    5   11    7 o   24.550   0.1973   24.610   0.2792   24.490   0.2788 0.1190000 0.3946000 
1 1 1    5   11    8 o   17.930   0.2209   18.410   0.3444   17.450   0.2766 0.9654000 0.4417000 
1 1 1    5   11    9 o   17.110   0.2027   17.200   0.2883   17.020   0.2850 0.1840000 0.4054000 
1 1 1    5   11   10 o   7.7380   0.3606   7.5270   0.5119   7.9500   0.5081 -0.4231000 0.7212000 
1 1 1    5   11   11 o   3.4070   0.7312   2.9480   1.0520   3.8650   1.0160 -0.9169000 1.462000 
1 1 1    5   11   12 o   17.970   0.3259   18.430   0.5125   17.510   0.4028 0.9156000 0.6518000 
1 1 1    5   11   13 o   16.930   0.2305   16.530   0.3298   17.330   0.3221 -0.7990000 0.4610000 
1 1 1    5   11   14 o   12.700   0.2873   12.440   0.4087   12.960   0.4041 -0.5153000 0.5747000 
1 1 1    5   11   15 o   16.760   0.2553   16.750   0.3638   16.760   0.3584 -0.1292000E-01 0.5106000 
1 1 1    5   11   16 o   19.640   0.2425   19.430   0.3468   19.850   0.3391 -0.4169000 0.4850000 
1 1 1    5   11   17 o   11.020   0.4296   11.390   0.6254   10.650   0.5892 0.7369000 0.8593000 
1 1 1    5   11   18 o   9.6410   0.5302   9.8450   0.6883   9.4380   0.8066 0.4068000 1.060000 
1 1 1    5   11   19 o   12.490   0.2984   12.270   0.4365   12.710   0.4071 -0.4453000 0.5969000 
1 1 1    5   11   20 o   11.010   0.3262   10.780   0.4786   11.250   0.4432 -0.4673000 0.6523000 
1 1 1    5   11   21 o   16.070   0.2523   16.200   0.3588   15.950   0.3548 0.2496000 0.5046000 
1 1 1    5   11   22 o   8.0790   0.4029   8.4300   0.5440   7.7290   0.5945 0.7015000 0.8058000 
1 1 1    5   11   23 o   5.7830   0.5570   5.9730   0.7673   5.5930   0.8075 0.3800000 1.114000 
1 1 1    5   11   24 o   5.4990   0.5930   5.6550   0.8090   5.3440   0.8671 0.3105000 1.186000 
1 1 1    5   11   25 o   4.7500   0.6827   5.8090   0.7955   3.6920   1.1100 2.117000 1.365000 
1 1 1    5   11   26 o   2.3510   0.7751   2.7740   1.2310   1.9280   0.9418 0.8454000 1.550000 
1 1 1    5   11   27 o   5.2460   0.7688   4.4670   1.2960   6.0260   0.8275 -1.559000 1.538000 
1 1 1    5   11   28 o   4.3120   0.7771   5.1470   1.0160   3.4780   1.1760 1.669000 1.554000 
1 1 1    5   11   29 o   2.2620   0.7085   2.3960   1.0230   2.1280   0.9802 0.2674000 1.417000 
1 1 1    5   11   30 o   3.1000   0.8814   3.9450   1.3790   2.2560   1.0980 1.689000 1.763000 
1 1 1    5   11   31 o   1.7570   0.6058   1.6150   0.7951   1.9000   0.9142 -0.2845000 1.212000 
1 1 1    5   13    0 f   38.480   0.2170   38.410   0.3064   38.550   0.3074 -0.1461000 0.4341000 
1 1 1    5   13    1 o   51.400   0.2723   51.450   0.3854   51.340   0.3847 0.1056000 0.5446000 
1 1 1    5   13    2 o   15.380   0.2046   15.510   0.2873   15.250   0.2915 0.2697000 0.4092000 
1 1 1    5   13    3 o   49.230   0.2632   49.480   0.3733   48.980   0.3711 0.5018000 0.5264000 
1 1 1    5   13    4 o   2.4610   0.6639   2.5630   0.9730   2.3590   0.9036 0.2037000 1.328000 
1 1 1    5   13    5 o   35.310   0.2234   35.150   0.3365   35.470   0.2938 -0.3238000 0.4467000 
1 1 1    5   13    6 o   18.690   0.1910   18.770   0.2882   18.610   0.2506 0.1609000 0.3819000 
1 1 1    5   13    7 o   25.870   0.2096   25.880   0.2982   25.860   0.2947 0.2149000E-01 0.4192000 
1 1 1    5   13    8 o   14.390   0.2350   14.290   0.3343   14.490   0.3303 -0.2003000 0.4699000 
1 1 1    5   13    9 o   42.700   0.4143   42.610   0.6736   42.790   0.4824 -0.1737000 0.8285000 
1 1 1    5   13   10 o   25.830   0.3233   25.890   0.5166   25.770   0.3889 0.1177000 0.6466000 
1 1 1    5   13   11 o   14.160   0.2602   14.450   0.3602   13.870   0.3757 0.5797000 0.5205000 
1 1 1    5   13   12 f   28.870   0.2337   28.900   0.3279   28.840   0.3329 0.5168000E-01 0.4673000 
1 1 1    5   13   13 o   11.020   0.3309   10.910   0.4670   11.130   0.4689 -0.2216000 0.6618000 
1 1 1    5   13   14 o   8.3530   0.4222   7.8610   0.6266   8.8440   0.5660 -0.9833000 0.8443000 
1 1 1    5   13   15 o   25.960   0.2335   26.140   0.3310   25.780   0.3295 0.3561000 0.4670000 
1 1 1    5   13   16 o   16.110   0.3818   15.980   0.4784   16.240   0.5951 -0.2517000 0.7635000 
1 1 1    5   13   17 o   17.390   0.2483   17.410   0.3562   17.370   0.3461 0.3769000E-01 0.4966000 
1 1 1    5   13   18 o   13.050   0.2886   12.950   0.4173   13.150   0.3986 -0.2017000 0.5771000 
1 1 1    5   13   19 o   14.540   0.2670   14.790   0.3796   14.290   0.3757 0.4991000 0.5341000 
1 1 1    5   13   20 o   9.8870   0.3528   10.220   0.5003   9.5600   0.4975 0.6555000 0.7056000 
1 1 1    5   13   21 o   3.4510   0.6829   4.7940   0.9786   2.1080   0.9528 2.686000 1.366000 
1 1 1    5   13   22 o   8.2890   0.4057   8.0790   0.5994   8.4990   0.5470 -0.4193000 0.8115000 
1 1 1    5   13   23 o   3.4730   0.7886   3.1160   1.1370   3.8310   1.0930 -0.7148000 1.577000 
1 1 1    5   13   24 o   2.2120   0.6968   2.3110   1.0150   2.1130   0.9552 0.1986000 1.394000 
1 1 1    5   13   25 o   5.9390   0.8392   6.1390   1.2580   5.7390   1.1110 0.4002000 1.678000 
1 1 1    5   13   26 o   7.3840   0.4885   7.5460   0.6836   7.2230   0.6981 0.3235000 0.9771000 
1 1 1    5   13   27 o   1.7980   0.6111   2.2260   1.0060   1.3700   0.6941 0.8557000 1.222000 
1 1 1    5   13   28 o   3.6930   0.7903   2.9260   1.1460   4.4600   1.0890 -1.534000 1.581000 
1 1 1    5   13   29 o   2.1710   0.7322   2.2270   1.0600   2.1160   1.0100 0.1109000 1.464000 
1 1 1    5   13   30 o   2.2230   0.7265   1.7250   0.8462   2.7220   1.1810 -0.9977000 1.453000 
1 1 1    5   15    0 o   36.740   0.2151   36.750   0.3040   36.720   0.3044 0.2766000E-01 0.4303000 
1 1 1    5   15    1 o   59.960   0.3146   60.190   0.4464   59.740   0.4434 0.4550000 0.6292000 
1 1 1    5   15    2 o   15.760   0.1970   15.410   0.2777   16.110   0.2794 -0.6978000 0.3939000 
1 1 1    5   15    3 o   38.760   0.2574   38.470   0.3610   39.050   0.3670 -0.5731000 0.5148000 
1 1 1    5   15    4 o   20.080   0.2325   20.150   0.3550   20.020   0.3005 0.1308000 0.4651000 
1 1 1    5   15    5 o   8.5660   0.4982   8.6110   0.7657   8.5200   0.6374 0.9057000E-01 0.9963000 
1 1 1    5   15    6 f   27.390   0.3301   28.380   0.5359   26.410   0.3856 1.979000 0.6602000 
1 1 1    5   15    7 o   13.080   0.3067   12.780   0.4729   13.380   0.3908 -0.5997000 0.6135000 
1 1 1    5   15    8 o   16.180   0.2254   15.920   0.3400   16.430   0.2961 -0.5106000 0.4508000 
1 1 1    5   15    9 o   25.120   0.2606   24.520   0.4064   25.710   0.3263 -1.183000 0.5212000 
1 1 1    5   15   10 o   30.710   0.2400   30.520   0.3388   30.890   0.3401 -0.3700000 0.4800000 
1 1 1    5   15   11 f   46.840   0.3042   46.980   0.4315   46.710   0.4289 0.2760000 0.6085000 
1 1 1    5   15   12 o   5.4480   0.6444   4.9950   0.9774   5.9010   0.8400 -0.9061000 1.289000 
1 1 1    5   15   13 o   13.390   0.2967   14.050   0.3961   12.730   0.4419 1.321000 0.5935000 
1 1 1    5   15   14 o   5.6100   0.8788   6.0550   1.0670   5.1660   1.3970 0.8887000 1.758000 
1 1 1    5   15   15 o   3.6210   0.8010   3.4770   1.1320   3.7650   1.1340 -0.2883000 1.602000 
1 1 1    5   15   16 f   13.850   0.2808   13.700   0.3969   13.990   0.3972 -0.2887000 0.5615000 
1 1 1    5   15   17 o   8.2220   0.4117   7.9280   0.6014   8.5150   0.5624 -0.5872000 0.8234000 
1 1 1    5   15   18 o   6.7900   0.4972   6.1790   0.7649   7.4010   0.6355 -1.222000 0.9944000 
1 1 1    5   15   19 o   3.2450   0.7859   2.9570   1.1160   3.5340   1.1070 -0.5771000 1.572000 
1 1 1    5   15   20 o   2.9800   0.7785   3.0460   1.1110   2.9150   1.0910 0.1309000 1.557000 
1 1 1    5   15   21 o   5.1950   0.6387   4.7440   0.9748   5.6460   0.8256 -0.9010000 1.277000 
1 1 1    5   15   22 o   6.4670   0.5166   6.4640   0.7428   6.4700   0.7181 -0.5621000E-02 1.033000 
1 1 1    5   15   23 o   8.6020   0.5211   9.0660   0.6948   8.1370   0.7768 0.9292000 1.042000 
1 1 1    5   15   24 o   3.0460   0.7584   2.0970   1.0280   3.9960   1.1160 -1.899000 1.517000 
1 1 1    5   15   25 o   3.1480   0.8121   3.3280   1.1560   2.9680   1.1410 0.3594000 1.624000 
1 1 1    5   15   26 o   2.5710   0.7528   3.0230   1.1480   2.1190   0.9738 0.9043000 1.506000 
1 1 1    5   15   27 o   3.2510   0.8263   3.1070   1.1770   3.3960   1.1600 -0.2893000 1.653000 
1 1 1    5   15   28 o   4.2090   1.0120   3.5340   1.3920   4.8850   1.4690 -1.351000 2.024000 
1 1 1    5   15   29 o   3.3320   0.7923   4.2600   1.1790   2.4040   1.0580 1.855000 1.585000 
1 1 1    5   17    0 o   12.680   0.2431   12.410   0.3497   12.950   0.3379 -0.5376000 0.4863000 
1 1 1    5   17    1 o   9.1140   0.3161   9.0760   0.4442   9.1510   0.4498 -0.7461000E-01 0.6322000 
1 1 1    5   17    2 o   30.300   0.2043   30.330   0.2877   30.270   0.2901 0.5597000E-01 0.4086000 
1 1 1    5   17    3 o   5.3500   0.5255   5.3660   0.7264   5.3330   0.7597 0.3264000E-01 1.051000 
1 1 1    5   17    4 o   23.560   0.2135   23.180   0.3210   23.940   0.2817 -0.7572000 0.4271000 
1 1 1    5   17    5 o   6.5090   0.4841   7.0610   0.6777   5.9580   0.6916 1.103000 0.9683000 
1 1 1    5   17    6 o   23.940   0.2183   23.910   0.3293   23.970   0.2867 -0.6074000E-01 0.4366000 
1 1 1    5   17    7 f   19.960   0.2195   19.750   0.3301   20.170   0.2894 -0.4174000 0.4389000 
1 1 1    5   17    8 o   5.1670   0.6125   5.4720   0.8609   4.8620   0.8715 0.6095000 1.225000 
1 1 1    5   17    9 o   19.500   0.2228   19.790   0.3318   19.220   0.2973 0.5746000 0.4455000 
1 1 1    5   17   10 o   17.560   0.2481   17.370   0.3510   17.750   0.3507 -0.3811000 0.4962000 
1 1 1    5   17   11 o   9.2360   0.5574   8.8900   0.7388   9.5810   0.8349 -0.6911000 1.115000 
1 1 1    5   17   12 o   25.850   0.3457   25.370   0.4186   26.320   0.5502 -0.9530000 0.6914000 
1 1 1    5   17   13 o   30.090   0.2472   30.030   0.3462   30.160   0.3530 -0.1268000 0.4945000 
1 1 1    5   17   14 o   12.770   0.3011   12.660   0.4206   12.870   0.4309 -0.2082000 0.6022000 
1 1 1    5   17   15 o   29.690   0.2464   29.730   0.3486   29.640   0.3482 0.8914000E-01 0.4927000 
1 1 1    5   17   16 o   15.630   0.2638   15.790   0.3724   15.470   0.3737 0.3230000 0.5275000 
1 1 1    5   17   17 o   7.8560   0.4387   7.6070   0.6276   8.1050   0.6131 -0.4988000 0.8773000 
1 1 1    5   17   18 f   2.9580   0.7861   2.9230   1.1010   2.9940   1.1230 -0.7190000E-01 1.572000 
1 1 1    5   17   19 o   5.6290   0.5986   5.5900   0.8424   5.6670   0.8508 -0.7767000E-01 1.197000 
1 1 1    5   17   20 o   6.2300   0.5548   5.2920   0.9066   7.1680   0.6398 -1.876000 1.110000 
1 1 1    5   17   21 o   1.9290   0.6384   1.9140   0.9004   1.9430   0.9051 -0.2819000E-01 1.277000 
1 1 1    5   17   22 o   9.0160   0.5815   8.8000   0.9163   9.2320   0.7161 -0.4329000 1.163000 
1 1 1    5   17   23 o   4.2220   0.7798   3.8460   1.1690   4.5980   1.0320 -0.7522000 1.560000 
1 1 1    5   17   24 o   3.1660   0.8125   3.5060   1.1690   2.8260   1.1290 0.6801000 1.625000 
1 1 1    5   17   25 o   3.4500   0.7449   2.3300   1.0380   4.5700   1.0680 -2.240000 1.490000 
1 1 1    5   17   26 o   3.5550   0.8380   3.4260   1.1990   3.6830   1.1710 -0.2576000 1.676000 
1 1 1    5   17   27 o   2.3950   0.7935   2.5520   1.1620   2.2370   1.0810 0.3149000 1.587000 
1 1 1    5   17   28 o   2.1670   0.7493   1.9090   0.9459   2.4250   1.1620 -0.5165000 1.499000 
1 1 1    5   19    0 o   6.4810   0.4585   6.7390   0.6135   6.2220   0.6815 0.5170000 0.9169000 
1 1 1    5   19    1 o   26.160   0.2037   26.090   0.2870   26.240   0.2891 -0.1483000 0.4074000 
1 1 1    5   19    2 o   12.460   0.2597   12.180   0.3673   12.730   0.3674 -0.5477000 0.5195000 
1 1 1    5   19    3 o   13.260   0.2519   13.540   0.3480   12.990   0.3644 0.5478000 0.5039000 
1 1 1    5   19    4 o   8.1770   0.3926   8.4540   0.5639   7.9000   0.5465 0.5540000 0.7852000 
1 1 1    5   19    5 o   16.500   0.2559   16.990   0.3583   16.000   0.3653 0.9861000 0.5117000 
1 1 1    5   19    6 o   5.4310   0.8125   4.6520   1.3120   6.2090   0.9586 -1.557000 1.625000 
1 1 1    5   19    7 o   3.9020   0.8882   3.4940   1.2860   4.3090   1.2250 -0.8147000 1.776000 
1 1 1    5   19    8 o   11.740   0.3873   12.500   0.5425   10.980   0.5530 1.520000 0.7746000 
1 1 1    5   19    9 o   16.010   0.2458   16.570   0.3653   15.450   0.3290 1.120000 0.4916000 
1 1 1    5   19   10 o   11.970   0.2880   12.600   0.4178   11.340   0.3965 1.261000 0.5760000 
1 1 1    5   19   11 o   15.920   0.2451   15.710   0.3714   16.130   0.3200 -0.4174000 0.4902000 
1 1 1    5   19   12 o   17.350   0.2520   17.350   0.3602   17.350   0.3526 0.2840000E-02 0.5040000 
1 1 1    5   19   13 o   10.140   0.3475   10.170   0.4924   10.110   0.4903 0.5757000E-01 0.6949000 
1 1 1    5   19   14 o   5.0390   0.6829   4.5760   1.0370   5.5020   0.8887 -0.9259000 1.366000 
1 1 1    5   19   15 o   6.6710   0.5276   7.1210   0.6561   6.2210   0.8264 0.8999000 1.055000 
1 1 1    5   19   16 o   4.8100   0.7117   4.2490   1.0650   5.3720   0.9447 -1.123000 1.423000 
1 1 1    5   19   17 o   8.2260   0.4185   8.0250   0.6162   8.4260   0.5665 -0.4002000 0.8370000 
1 1 1    5   19   18 o   4.8900   0.6931   4.6240   1.0400   5.1560   0.9166 -0.5319000 1.386000 
1 1 1    5   19   19 o   4.1400   0.7617   4.6480   1.0110   3.6310   1.1390 1.017000 1.523000 
1 1 1    5   19   20 o   2.7440   0.8529   3.0330   1.2880   2.4560   1.1190 0.5773000 1.706000 
1 1 1    5   19   21 o   5.9050   0.6377   6.6600   0.8293   5.1500   0.9690 1.510000 1.275000 
1 1 1    5   19   22 o   2.2680   0.7081   1.8640   0.8894   2.6720   1.1020 -0.8077000 1.416000 
1 1 1    5   19   23 o   3.1780   0.7638   4.0700   1.1400   2.2860   1.0170 1.784000 1.528000 
1 1 1    5   19   24 o   6.0750   0.5955   6.0690   0.8512   6.0800   0.8329 -0.1162000E-01 1.191000 
1 1 1    5   19   25 f   2.0790   0.7109   2.2830   1.0840   1.8740   0.9200 0.4083000 1.422000 
1 1 1    5   19   26 o   3.0290   0.7896   3.8220   1.1840   2.2360   1.0460 1.585000 1.579000 
1 1 1    5   21    0 o   19.740   0.2452   19.950   0.3487   19.540   0.3449 0.4129000 0.4905000 
1 1 1    5   21    1 o   9.7580   0.3683   9.7410   0.5249   9.7750   0.5168 -0.3400000E-01 0.7366000 
1 1 1    5   21    2 o   11.330   0.2848   11.080   0.4056   11.580   0.3999 -0.5013000 0.5696000 
1 1 1    5   21    3 o   2.6400   0.7260   2.7610   1.0330   2.5200   1.0200 0.2412000 1.452000 
1 1 1    5   21    4 o   8.6550   0.3766   9.0590   0.5423   8.2510   0.5229 0.8085000 0.7533000 
1 1 1    5   21    5 o   13.960   0.2717   13.980   0.4205   13.950   0.3441 0.3827000E-01 0.5434000 
1 1 1    5   21    6 o   9.2850   0.3669   9.3060   0.5557   9.2650   0.4792 0.4089000E-01 0.7337000 
1 1 1    5   21    7 o   6.6610   0.4776   6.7080   0.7103   6.6140   0.6385 0.9423000E-01 0.9551000 
1 1 1    5   21    8 o   9.5250   0.3518   9.0290   0.5509   10.020   0.4378 -0.9914000 0.7037000 
1 1 1    5   21    9 o   5.0780   0.6334   4.8330   0.9995   5.3240   0.7783 -0.4908000 1.267000 
1 1 1    5   21   10 o   9.8080   0.3301   9.8610   0.4981   9.7550   0.4335 0.1068000 0.6603000 
1 1 1    5   21   11 o   4.7020   0.6477   5.0130   0.9107   4.3910   0.9213 0.6220000 1.295000 
1 1 1    5   21   12 f   8.3600   0.3754   8.4650   0.5662   8.2540   0.4932 0.2113000 0.7509000 
1 1 1    5   21   13 o   2.8150   0.7542   2.9440   1.1050   2.6860   1.0270 0.2579000 1.508000 
1 1 1    5   21   14 o   3.5920   0.7678   4.2980   1.0730   2.8870   1.0980 1.411000 1.536000 
1 1 1    5   21   15 o   12.280   0.3169   11.770   0.4610   12.790   0.4349 -1.021000 0.6338000 
1 1 1    5   21   16 o   2.1750   0.6944   1.9400   0.9119   2.4100   1.0470 -0.4696000 1.389000 
1 1 1    5   21   17 o   7.2110   0.7132   8.3460   0.7622   6.0770   1.2060 2.268000 1.426000 
1 1 1    5   21   18 o   2.8460   0.8740   2.5020   1.1560   3.1890   1.3110 -0.6873000 1.748000 
1 1 1    5   21   19 o   8.4340   0.4347   8.4370   0.6100   8.4310   0.6196 0.5782000E-02 0.8695000 
1 1 1    5   21   20 f   8.8570   0.4211   8.6310   0.5990   9.0840   0.5920 -0.4530000 0.8422000 
1 1 1    5   21   21 f   7.9280   0.4671   7.8320   0.6593   8.0230   0.6619 -0.1916000 0.9342000 
1 1 1    5   21   22 o   3.0510   0.8167   2.7470   1.1190   3.3550   1.1900 -0.6084000 1.633000 
1 1 1    5   21   23 o   2.7520   0.8485   3.1860   1.3170   2.3180   1.0710 0.8681000 1.697000 
1 1 1    5   21   24 o   5.3970   0.7533   4.8200   1.0930   5.9740   1.0370 -1.153000 1.507000 
1 1 1    5   23    0 o   2.3630   0.6874   1.8830   0.8755   2.8440   1.0600 -0.9616000 1.375000 
1 1 1    5   23    1 f   9.4940   0.3240   9.0790   0.4780   9.9090   0.4376 -0.8308000 0.6481000 
1 1 1    5   23    2 o   13.090   0.2581   13.120   0.3660   13.070   0.3639 0.4438000E-01 0.5161000 
1 1 1    5   23    3 o   6.3790   0.4690   6.0270   0.7069   6.7310   0.6165 -0.7040000 0.9380000 
1 1 1    5   23    4 o   8.2120   0.3639   8.4660   0.5005   7.9590   0.5285 0.5069000 0.7279000 
1 1 1    5   23    5 o   13.400   0.2771   13.460   0.4234   13.350   0.3577 0.1081000 0.5543000 
1 1 1    5   23    6 o   14.030   0.2726   13.220   0.4298   14.840   0.3354 -1.611000 0.5452000 
1 1 1    5   23    7 o   10.950   0.3153   10.980   0.4779   10.920   0.4116 0.6418000E-01 0.6307000 
1 1 1    5   23    8 o   10.950   0.3151   10.190   0.4998   11.700   0.3838 -1.515000 0.6302000 
1 1 1    5   23    9 o   4.0640   0.6998   4.9610   0.9228   3.1670   1.0520 1.794000 1.400000 
1 1 1    5   23   10 o   7.3090   0.4217   7.4240   0.6246   7.1950   0.5668 0.2293000 0.8435000 
1 1 1    5   23   11 f   2.6950   0.6834   3.6460   1.0900   1.7440   0.8240 1.902000 1.367000 
1 1 1    5   23   12 o   8.6730   0.3636   9.1350   0.5339   8.2110   0.4937 0.9242000 0.7271000 
1 1 1    5   23   13 o   4.9770   0.6320   3.8310   1.0870   6.1240   0.6450 -2.293000 1.264000 
1 1 1    5   23   14 o   3.3110   0.8545   2.3830   1.1210   4.2380   1.2900 -1.854000 1.709000 
1 1 1    5   23   15 o   2.6900   0.8316   2.3650   1.1110   3.0160   1.2380 -0.6504000 1.663000 
1 1 1    5   23   16 o   8.7110   0.4171   8.9250   0.5670   8.4970   0.6117 0.4282000 0.8341000 
1 1 1    5   23   17 o   2.8710   0.7538   3.6330   1.1460   2.1090   0.9794 1.524000 1.508000 
1 1 1    5   23   18 o   2.9490   0.7562   1.9420   0.9176   3.9570   1.2020 -2.014000 1.512000 
1 1 1    5   23   19 o   2.5030   0.7383   3.1730   1.1790   1.8320   0.8884 1.341000 1.477000 
1 1 1    5   23   20 o   6.7750   0.5651   6.5880   0.8346   6.9620   0.7622 -0.3745000 1.130000 
1 1 1    5   23   21 o   3.9450   1.0250   3.6220   1.3780   4.2690   1.5180 -0.6479000 2.050000 
1 1 1    5   23   22 o   2.1760   0.7112   2.4760   1.0820   1.8750   0.9229 0.6012000 1.422000 
1 1 1    5   25    0 o   7.1340   0.4091   7.0730   0.5828   7.1950   0.5742 -0.1214000 0.8181000 
1 1 1    5   25    1 o   3.9410   0.7059   4.2940   0.9521   3.5880   1.0420 0.7062000 1.412000 
1 1 1    5   25    2 o   4.0600   0.6916   3.5420   1.0520   4.5780   0.8982 -1.037000 1.383000 
1 1 1    5   25    3 o   2.9480   0.7454   3.2440   1.0710   2.6520   1.0370 0.5921000 1.491000 
1 1 1    5   25    4 o   17.540   0.2267   17.800   0.3194   17.280   0.3220 0.5146000 0.4535000 
1 1 1    5   25    5 o   10.200   0.3460   10.110   0.5338   10.280   0.4405 -0.1616000 0.6921000 
1 1 1    5   25    6 f   2.7910   0.7030   2.0360   0.9464   3.5460   1.0400 -1.510000 1.406000 
1 1 1    5   25    7 o   1.8490   0.6030   1.4240   0.7167   2.2740   0.9699 -0.8500000 1.206000 
1 1 1    5   25    8 o   8.6310   0.3700   8.0830   0.5831   9.1780   0.4555 -1.095000 0.7399000 
1 1 1    5   25    9 o   6.0500   0.5235   5.5780   0.8426   6.5220   0.6213 -0.9442000 1.047000 
1 1 1    5   25   10 o   8.1830   0.6068   8.3070   0.9277   8.0590   0.7824 0.2479000 1.214000 
1 1 1    5   25   11 o   5.6810   0.8449   6.7620   1.1160   4.5990   1.2690 2.163000 1.690000 
1 1 1    5   25   12 o   8.4630   0.4328   6.8600   0.7342   10.070   0.4584 -3.207000 0.8656000 
1 1 1    5   25   13 f   2.9120   0.7748   3.0950   1.1270   2.7290   1.0630 0.3661000 1.550000 
1 1 1    5   25   14 o   6.5080   0.5330   5.5280   0.8810   7.4890   0.6003 -1.962000 1.066000 
1 1 1    5   25   15 o   3.0330   0.7851   3.2600   1.1380   2.8060   1.0820 0.4547000 1.570000 
1 1 1    5   25   16 o   5.2810   0.6505   5.9870   0.8470   4.5750   0.9876 1.412000 1.301000 
1 1 1    5   25   17 o   1.7280   0.5925   1.6240   0.8012   1.8320   0.8731 -0.2076000 1.185000 
1 1 1    5   25   18 o   2.0790   0.7113   1.9920   0.9757   2.1650   1.0350 -0.1736000 1.423000 
1 1 1    5   25   19 o   3.6380   0.9616   2.7500   1.2180   4.5260   1.4880 -1.776000 1.923000 
1 1 1    5   25   20 o   3.6080   1.0080   3.2690   1.3370   3.9460   1.5090 -0.6766000 2.017000 
1 1 1    5   27    0 o   2.9550   0.7945   2.0270   0.9356   3.8830   1.2840 -1.856000 1.589000 
1 1 1    5   27    1 o   3.1490   0.8304   3.9020   1.2480   2.3950   1.0950 1.507000 1.661000 
1 1 1    5   27    2 o   13.530   0.3675   13.420   0.5078   13.640   0.5314 -0.2195000 0.7350000 
1 1 1    5   27    3 o   4.4470   0.8491   3.5150   1.2460   5.3790   1.1540 -1.864000 1.698000 
1 1 1    5   27    4 o   3.7230   0.9482   3.4510   1.3850   3.9950   1.2960 -0.5434000 1.896000 
1 1 1    5   27    5 o   3.2260   0.8476   3.2110   1.2260   3.2400   1.1710 -0.2898000E-01 1.695000 
1 1 1    5   27    6 o   3.9600   0.8152   3.3220   1.2420   4.5990   1.0570 -1.277000 1.630000 
1 1 1    5   27    7 o   6.3350   0.5329   6.1830   0.8310   6.4870   0.6673 -0.3039000 1.066000 
1 1 1    5   27    8 o   7.5820   0.4300   7.6430   0.6393   7.5210   0.5752 0.1218000 0.8600000 
1 1 1    5   27    9 f   2.2700   0.7050   2.1600   0.9851   2.3810   1.0090 -0.2218000 1.410000 
1 1 1    5   27   10 o   10.310   0.3471   10.080   0.5250   10.540   0.4541 -0.4588000 0.6941000 
1 1 1    5   27   11 o   3.0890   0.7854   2.8910   1.1230   3.2870   1.0990 -0.3959000 1.571000 
1 1 1    5   27   12 o   6.1750   0.5538   5.8550   0.8592   6.4950   0.6990 -0.6400000 1.108000 
1 1 1    5   27   13 o   3.9200   0.7968   3.8320   1.1790   4.0080   1.0730 -0.1757000 1.594000 
1 1 1    5   27   14 o   2.1880   0.7000   2.3200   1.0320   2.0550   0.9458 0.2643000 1.400000 
1 1 1    5   27   15 o   3.0860   0.8703   2.5170   1.1480   3.6550   1.3080 -1.138000 1.741000 
1 1 1    5   27   16 o   3.5570   0.8407   3.8850   1.1790   3.2290   1.1980 0.6558000 1.681000 
1 1 1    5   29    0 o   1.7590   0.5951   1.7930   0.8538   1.7240   0.8291 0.6908000E-01 1.190000 
1 1 1    5   29    1 o   2.7720   0.7446   3.1240   1.0910   2.4200   1.0140 0.7045000 1.489000 
1 1 1    5   29    2 o   3.1600   0.7640   3.4690   1.0890   2.8510   1.0720 0.6181000 1.528000 
1 1 1    5   29    3 f   4.5080   0.6892   4.6480   0.9619   4.3680   0.9871 0.2799000 1.378000 
1 1 1    5   29    4 o   2.7790   0.7700   2.5700   1.0870   2.9890   1.0910 -0.4195000 1.540000 
1 1 1    5   29    5 o   4.3600   0.7227   3.3080   1.1840   5.4120   0.8294 -2.104000 1.445000 
1 1 1    5   29    6 o   3.2850   0.8102   3.5030   1.2000   3.0680   1.0890 0.4351000 1.620000 
1 1 1    5   29    7 o   2.4140   0.7356   2.8320   1.1500   1.9960   0.9168 0.8368000 1.471000 
1 1 1    5   29    8 o   2.4600   0.7331   2.2150   1.0090   2.7050   1.0640 -0.4905000 1.466000 
1 1 1    5   29    9 o   4.8950   0.7372   3.6440   1.2010   6.1470   0.8555 -2.503000 1.474000 
1 1 1    5   29   10 o   3.6380   0.9065   4.4680   1.3580   2.8080   1.2010 1.660000 1.813000 
1 1 1    5   29   11 o   1.9350   0.6671   1.9750   0.9615   1.8950   0.9251 0.7945000E-01 1.334000 
1 1 1    5   29   12 o   4.3810   0.7454   5.1420   0.9999   3.6210   1.1060 1.521000 1.491000 
1 1 1    5   31    0 o   2.2170   0.6994   1.6800   0.8294   2.7550   1.1260 -1.075000 1.399000 
1 1 1    5   31    1 o   3.1490   0.8286   2.7550   1.1450   3.5430   1.1980 -0.7885000 1.657000 
1 1 1    5   31    2 o   2.2360   0.7180   2.0060   0.9501   2.4670   1.0770 -0.4611000 1.436000 
1 1 1    5   31    3 o   1.6590   0.5787   1.5460   0.7726   1.7720   0.8617 -0.2254000 1.157000 
1 1 1    5   31    4 o   2.9620   0.8388   3.6350   1.3200   2.2880   1.0350 1.346000 1.678000 
1 1 1    6    0    0 o   52.490   0.5222   52.490   0.5222   52.490   0.5222 0.000000 0.000000 
1 1 1    6    0    1 o   31.260   0.3165   31.260   0.3165   31.260   0.3165 0.000000 0.000000 
1 1 1    6    0    2 o   36.210   0.2989   36.210   0.2989   36.210   0.2989 0.000000 0.000000 
1 1 1    6    0    4 o  111.000   0.7795  111.000   0.7795  111.000   0.7795 0.000000 0.000000 
1 1 1    6    0    5 o   44.370   0.3197   44.370   0.3197   44.370   0.3197 0.000000 0.000000 
1 1 1    6    0    6 o   58.780   0.4186   58.780   0.4186   58.780   0.4186 0.000000 0.000000 
1 1 1    6    0    7 o   37.930   0.2809   37.930   0.2809   37.930   0.2809 0.000000 0.000000 
1 1 1    6    0    8 o   13.300   0.2565   13.300   0.2565   13.300   0.2565 0.000000 0.000000 
1 1 1    6    0    9 o   24.350   0.2089   24.350   0.2089   24.350   0.2089 0.000000 0.000000 
1 1 1    6    0   10 o   28.140   0.2315   28.140   0.2315   28.140   0.2315 0.000000 0.000000 
1 1 1    6    0   11 o   39.010   0.2967   39.010   0.2967   39.010   0.2967 0.000000 0.000000 
1 1 1    6    0   12 o   5.7480   0.4190   5.7480   0.4190   5.7480   0.4190 0.000000 0.000000 
1 1 1    6    0   13 o   32.610   0.2650   32.610   0.2650   32.610   0.2650 0.000000 0.000000 
1 1 1    6    0   14 o   9.5860   0.3042   9.5860   0.3042   9.5860   0.3042 0.000000 0.000000 
1 1 1    6    0   15 o   22.750   0.2441   22.750   0.2441   22.750   0.2441 0.000000 0.000000 
1 1 1    6    0   16 o   54.620   0.5746   54.620   0.5746   54.620   0.5746 0.000000 0.000000 
1 1 1    6    0   17 o   45.330   0.3525   45.330   0.3525   45.330   0.3525 0.000000 0.000000 
1 1 1    6    0   18 f   25.690   0.2751   25.690   0.2751   25.690   0.2751 0.000000 0.000000 
1 1 1    6    0   19 o   36.210   0.3129   36.210   0.3129   36.210   0.3129 0.000000 0.000000 
1 1 1    6    0   20 o   12.030   0.3749   12.030   0.3749   12.030   0.3749 0.000000 0.000000 
1 1 1    6    0   21 o   5.7260   1.1240   5.7260   1.1240   5.7260   1.1240 0.000000 0.000000 
1 1 1    6    0   22 o   17.810   0.3490   17.810   0.3490   17.810   0.3490 0.000000 0.000000 
1 1 1    6    0   23 o   7.1850   0.6628   7.1850   0.6628   7.1850   0.6628 0.000000 0.000000 
1 1 1    6    0   24 o   3.0240   1.3960   3.0240   1.3960   3.0240   1.3960 0.000000 0.000000 
1 1 1    6    0   25 o   17.690   0.3519   17.690   0.3519   17.690   0.3519 0.000000 0.000000 
1 1 1    6    0   26 o   3.8880   1.3100   3.8880   1.3100   3.8880   1.3100 0.000000 0.000000 
1 1 1    6    0   27 f   4.1660   1.2440   4.1660   1.2440   4.1660   1.2440 0.000000 0.000000 
1 1 1    6    0   28 o   10.420   0.5719   10.420   0.5719   10.420   0.5719 0.000000 0.000000 
1 1 1    6    0   29 o   2.5930   1.3450   2.5930   1.3450   2.5930   1.3450 0.000000 0.000000 
1 1 1    6    0   30 o   1.9700   1.2160   1.9700   1.2160   1.9700   1.2160 0.000000 0.000000 
1 1 1    6    0   31 o   3.4950   1.4050   3.4950   1.4050   3.4950   1.4050 0.000000 0.000000 
1 1 1    6    0   32 o   8.1010   1.2500   8.1010   1.2500   8.1010   1.2500 0.000000 0.000000 
1 1 1    6    0   33 o   8.1860   0.6540   8.1860   0.6540   8.1860   0.6540 0.000000 0.000000 
1 1 1    6    2    0 o   31.750   0.1745   31.720   0.2635   31.780   0.2287 -0.5589000E-01 0.3489000 
1 1 1    6    2    1 o   18.690   0.1194   18.650   0.1689   18.720   0.1688 -0.6593000E-01 0.2388000 
1 1 1    6    2    2 o   36.800   0.2409   36.600   0.3711   37.000   0.3073 -0.3961000 0.4819000 
1 1 1    6    2    3 f   37.520   0.3331   37.870   0.5460   37.170   0.3816 0.6994000 0.6662000 
1 1 1    6    2    4 o   10.760   0.1283   10.950   0.1927   10.570   0.1695 0.3805000 0.2566000 
1 1 1    6    2    5 f   36.780   0.2210   36.620   0.3112   36.940   0.3138 -0.3190000 0.4420000 
1 1 1    6    2    6 o   77.070   0.4453   77.070   0.6297   77.060   0.6296 0.1378000E-01 0.8905000 
1 1 1    6    2    7 o   66.210   0.3850   66.210   0.5445   66.220   0.5445 -0.1166000E-01 0.7700000 
1 1 1    6    2    8 f   24.460   0.2514   24.850   0.2971   24.070   0.4055 0.7789000 0.5027000 
1 1 1    6    2    9 o   3.1040   0.4899   3.6300   0.6111   2.5780   0.7660 1.052000 0.9799000 
1 1 1    6    2   10 o   6.4270   0.2529   6.3730   0.3352   6.4800   0.3787 -0.1073000 0.5057000 
1 1 1    6    2   11 o   38.060   0.2231   37.950   0.2911   38.170   0.3383 -0.2148000 0.4463000 
1 1 1    6    2   12 o   33.810   0.2064   33.570   0.2683   34.050   0.3138 -0.4832000 0.4128000 
1 1 1    6    2   13 o   9.9460   0.2170   9.9100   0.2833   9.9820   0.3288 -0.7124000E-01 0.4340000 
1 1 1    6    2   14 f   7.5220   0.2885   7.2200   0.3987   7.8250   0.4170 -0.6048000 0.5770000 
1 1 1    6    2   15 o   4.9910   0.5042   4.9080   0.6666   5.0740   0.7568 -0.1655000 1.008000 
1 1 1    6    2   16 o   25.990   0.2582   25.780   0.3618   26.200   0.3685 -0.4134000 0.5164000 
1 1 1    6    2   17 o   23.300   0.2000   23.020   0.2607   23.580   0.3033 -0.5646000 0.4000000 
1 1 1    6    2   18 o   17.530   0.2260   17.320   0.2955   17.750   0.3420 -0.4325000 0.4520000 
1 1 1    6    2   19 o   31.540   0.2247   31.640   0.2938   31.440   0.3401 0.2033000 0.4494000 
1 1 1    6    2   20 o   18.070   0.2244   18.010   0.2938   18.120   0.3391 -0.1140000 0.4487000 
1 1 1    6    2   21 o   28.590   0.3549   28.910   0.4138   28.280   0.5767 0.6303000 0.7098000 
1 1 1    6    2   22 o   18.950   0.2196   19.140   0.2871   18.760   0.3323 0.3737000 0.4392000 
1 1 1    6    2   23 o   14.180   0.2522   14.040   0.3323   14.330   0.3794 -0.2903000 0.5043000 
1 1 1    6    2   24 o   8.1940   0.3822   8.1080   0.5073   8.2800   0.5718 -0.1718000 0.7644000 
1 1 1    6    2   25 o   10.150   0.3244   10.060   0.4297   10.250   0.4862 -0.1970000 0.6488000 
1 1 1    6    2   26 o   2.9280   0.7606   2.9940   1.0560   2.8620   1.0950 0.1318000 1.521000 
1 1 1    6    2   27 o   3.4770   0.7770   3.2310   1.0740   3.7230   1.1230 -0.4922000 1.554000 
1 1 1    6    2   28 o   4.6530   0.8160   3.6590   1.2630   5.6470   1.0330 -1.988000 1.632000 
1 1 1    6    2   29 o   2.7340   0.7404   2.0880   0.9371   3.3790   1.1470 -1.292000 1.481000 
1 1 1    6    2   30 o   2.9590   0.7576   3.4840   1.0860   2.4340   1.0560 1.050000 1.515000 
1 1 1    6    2   31 o   3.6770   0.7844   2.9960   1.1000   4.3580   1.1180 -1.361000 1.569000 
1 1 1    6    2   32 o   2.9860   0.9669   3.0990   1.4050   2.8720   1.3280 0.2272000 1.934000 
1 1 1    6    2   33 o   2.3130   0.7254   2.6390   1.1020   1.9860   0.9438 0.6529000 1.451000 
1 1 1    6    4    0 o   53.470   0.3489   54.340   0.5470   52.600   0.4332 1.742000 0.6978000 
1 1 1    6    4    1 o   31.440   0.2145   31.630   0.3332   31.250   0.2701 0.3875000 0.4289000 
1 1 1    6    4    2 o   76.490   0.4413   77.230   0.6301   75.740   0.6181 1.495000 0.8826000 
1 1 1    6    4    3 o   9.0200   0.1394   8.9920   0.2004   9.0480   0.1937 -0.5647000E-01 0.2787000 
1 1 1    6    4    4 o   53.550   0.3138   53.480   0.4433   53.620   0.4442 -0.1387000 0.6276000 
1 1 1    6    4    5 o   30.500   0.1924   30.370   0.2717   30.630   0.2726 -0.2619000 0.3849000 
1 1 1    6    4    6 o   75.250   0.4362   75.340   0.6175   75.170   0.6163 0.1660000 0.8724000 
1 1 1    6    4    7 o   46.390   0.4171   45.860   0.4768   46.920   0.6846 -1.056000 0.8343000 
1 1 1    6    4    8 f   36.030   0.2246   36.070   0.3179   35.990   0.3173 0.8754000E-01 0.4492000 
1 1 1    6    4    9 o   32.380   0.2090   32.090   0.2936   32.660   0.2976 -0.5672000 0.4180000 
1 1 1    6    4   10 f   30.560   0.2034   30.350   0.2861   30.770   0.2891 -0.4165000 0.4067000 
1 1 1    6    4   11 o   25.180   0.1861   25.170   0.2630   25.190   0.2635 -0.2103000E-01 0.3723000 
1 1 1    6    4   12 o   15.210   0.1843   15.020   0.2622   15.410   0.2592 -0.3878000 0.3687000 
1 1 1    6    4   13 o   25.260   0.1932   25.040   0.2726   25.490   0.2739 -0.4539000 0.3865000 
1 1 1    6    4   14 o   16.290   0.2270   16.000   0.3560   16.590   0.2819 -0.5925000 0.4541000 
1 1 1    6    4   15 o   25.320   0.1953   25.200   0.2552   25.450   0.2957 -0.2486000 0.3906000 
1 1 1    6    4   16 o   25.380   0.2610   25.550   0.3639   25.200   0.3743 0.3555000 0.5220000 
1 1 1    6    4   17 o   3.7040   0.7417   3.3750   1.0240   4.0340   1.0740 -0.6589000 1.483000 
1 1 1    6    4   18 o   16.890   0.2357   16.960   0.3053   16.820   0.3593 0.1425000 0.4715000 
1 1 1    6    4   19 o   2.9050   0.7785   2.8710   1.0610   2.9380   1.1390 -0.6730000E-01 1.557000 
1 1 1    6    4   20 o   27.460   0.3317   27.460   0.3317  ?   ?       ?      ? 
1 1 1    6    4   21 o   22.020   0.3417   22.080   0.4054   21.970   0.5503 0.1045000 0.6834000 
1 1 1    6    4   22 o   4.9400   0.6209   4.9930   0.8041   4.8860   0.9464 0.1068000 1.242000 
1 1 1    6    4   23 f   6.9760   0.4463   7.4850   0.5291   6.4680   0.7189 1.018000 0.8926000 
1 1 1    6    4   24 o   5.8870   0.5207   6.0160   0.6679   5.7570   0.7989 0.2586000 1.041000 
1 1 1    6    4   25 o   3.4390   0.7602   3.7840   1.0250   3.0950   1.1230 0.6891000 1.520000 
1 1 1    6    4   26 o   9.9440   0.3261   9.8480   0.4324   10.040   0.4882 -0.1911000 0.6521000 
1 1 1    6    4   27 o   2.8760   0.7556   2.6540   1.0280   3.0990   1.1080 -0.4450000 1.511000 
1 1 1    6    4   28 o   2.5990   0.7909   2.1200   0.9894   3.0790   1.2340 -0.9589000 1.582000 
1 1 1    6    4   29 o   8.2860   0.4019   8.7220   0.5063   7.8500   0.6244 0.8723000 0.8039000 
1 1 1    6    4   30 o   2.5890   0.7389   2.9850   1.0960   2.1930   0.9910 0.7926000 1.478000 
1 1 1    6    4   31 o   3.1100   0.7943   3.4390   1.1170   2.7810   1.1300 0.6585000 1.589000 
1 1 1    6    4   32 o   4.2630   0.8942   5.6570   1.2070   2.8700   1.3200 2.787000 1.788000 
1 1 1    6    4   33 o   2.8840   1.3740   2.8840   1.3740  ?   ?       ?      ? 
1 1 1    6    6    0 o   68.950   0.3464   68.550   0.4869   69.350   0.4929 -0.7990000 0.6928000 
1 1 1    6    6    1 o   35.980   0.1907   36.030   0.2700   35.930   0.2694 0.1018000 0.3814000 
1 1 1    6    6    2 o   30.650   0.1819   30.970   0.2765   30.340   0.2364 0.6235000 0.3638000 
1 1 1    6    6    3 o   31.800   0.2007   32.090   0.2860   31.520   0.2816 0.5675000 0.4014000 
1 1 1    6    6    4 o   70.570   0.4105   70.780   0.5823   70.360   0.5788 0.4223000 0.8210000 
1 1 1    6    6    5 o   29.900   0.2772   29.900   0.2772  ?   ?       ?      ? 
1 1 1    6    6    6 o   44.710   0.4044   44.430   0.4660   44.990   0.6612 -0.5631000 0.8089000 
1 1 1    6    6    7 o   49.110   0.2943   49.000   0.4152   49.220   0.4172 -0.2215000 0.5886000 
1 1 1    6    6    8 o   15.230   0.1687   15.130   0.2398   15.320   0.2373 -0.1912000 0.3374000 
1 1 1    6    6    9 o   37.400   0.2367   37.450   0.3351   37.350   0.3344 0.9318000E-01 0.4734000 
1 1 1    6    6   10 o   8.0790   0.2562   8.1600   0.3616   7.9980   0.3629 0.1623000 0.5123000 
1 1 1    6    6   11 f   10.020   0.2299   9.7190   0.3319   10.320   0.3184 -0.6000000 0.4599000 
1 1 1    6    6   12 o   31.950   0.2171   31.990   0.3077   31.920   0.3065 0.6869000E-01 0.4343000 
1 1 1    6    6   13 o   21.780   0.1946   21.690   0.2744   21.870   0.2760 -0.1815000 0.3892000 
1 1 1    6    6   14 o   23.260   0.2244   23.740   0.3428   22.780   0.2896 0.9546000 0.4487000 
1 1 1    6    6   15 o   19.670   0.3144   18.770   0.5032   20.560   0.3772 -1.795000 0.6288000 
1 1 1    6    6   16 o   13.400   0.2590   13.060   0.3691   13.740   0.3633 -0.6744000 0.5180000 
1 1 1    6    6   17 o   2.7470   0.7569   3.2870   1.1410   2.2070   0.9945 1.081000 1.514000 
1 1 1    6    6   18 o   16.600   0.2547   16.260   0.3640   16.940   0.3565 -0.6780000 0.5095000 
1 1 1    6    6   19 o   2.8580   0.7831   3.2430   1.1560   2.4730   1.0560 0.7697000 1.566000 
1 1 1    6    6   20 o   16.730   0.3690   16.730   0.4552   16.740   0.5808 -0.1219000E-02 0.7379000 
1 1 1    6    6   21 o   2.4030   0.7037   2.7360   1.0370   2.0700   0.9509 0.6661000 1.407000 
1 1 1    6    6   22 o   21.130   0.2160   21.510   0.2818   20.750   0.3273 0.7650000 0.4319000 
1 1 1    6    6   23 o   9.0210   0.3473   8.5490   0.4788   9.4940   0.5033 -0.9452000 0.6946000 
1 1 1    6    6   24 o   8.7430   0.3622   8.4750   0.4907   9.0110   0.5329 -0.5357000 0.7244000 
1 1 1    6    6   25 o   8.7160   0.3592   9.1400   0.4578   8.2910   0.5537 0.8493000 0.7185000 
1 1 1    6    6   26 o   3.5620   0.7611   3.3180   1.0600   3.8060   1.0930 -0.4878000 1.522000 
1 1 1    6    6   27 o   5.9830   0.5286   6.2270   0.6565   5.7390   0.8288 0.4882000 1.057000 
1 1 1    6    6   28 o   6.6180   0.6584   5.5750   1.0500   7.6610   0.7950 -2.085000 1.317000 
1 1 1    6    6   29 o   9.3590   0.3792   10.390   0.4594   8.3260   0.6034 2.066000 0.7584000 
1 1 1    6    6   30 o   1.8700   0.6259   2.0300   0.9321   1.7110   0.8355 0.3189000 1.252000 
1 1 1    6    6   31 o   2.4730   0.7400   2.0080   0.9282   2.9380   1.1530 -0.9300000 1.480000 
1 1 1    6    6   32 o   2.6460   0.8102   2.9580   1.1640   2.3340   1.1280 0.6244000 1.620000 
1 1 1    6    8    0 o   34.430   0.2168   34.430   0.3068   34.440   0.3063 -0.1202000E-01 0.4335000 
1 1 1    6    8    1 o   11.520   0.1686   11.680   0.2388   11.360   0.2381 0.3217000 0.3372000 
1 1 1    6    8    2 o   19.250   0.2844   19.250   0.2844  ?   ?       ?      ? 
1 1 1    6    8    3 o   34.170   0.2442   34.280   0.3786   34.070   0.3086 0.2076000 0.4884000 
1 1 1    6    8    4 o   14.210   0.2055   14.830   0.2866   13.600   0.2946 1.230000 0.4110000 
1 1 1    6    8    5 o   40.500   0.2504   40.360   0.3531   40.640   0.3552 -0.2759000 0.5009000 
1 1 1    6    8    6 o   33.090   0.2157   33.230   0.3055   32.950   0.3047 0.2847000 0.4315000 
1 1 1    6    8    7 o   3.4430   0.5545   3.0260   0.8414   3.8610   0.7225 -0.8354000 1.109000 
1 1 1    6    8    8 o   35.270   0.2298   35.370   0.3248   35.160   0.3250 0.2085000 0.4595000 
1 1 1    6    8    9 o   16.170   0.1836   16.060   0.2591   16.290   0.2602 -0.2308000 0.3672000 
1 1 1    6    8   10 o   8.3030   0.2757   8.0580   0.3918   8.5480   0.3881 -0.4896000 0.5515000 
1 1 1    6    8   11 o   28.420   0.2079   28.350   0.2948   28.500   0.2931 -0.1483000 0.4157000 
1 1 1    6    8   12 o   20.590   0.2305   20.530   0.3242   20.650   0.3279 -0.1262000 0.4611000 
1 1 1    6    8   13 o   18.050   0.2111   17.930   0.3022   18.170   0.2949 -0.2411000 0.4222000 
1 1 1    6    8   14 o   20.160   0.3110   20.330   0.4910   19.990   0.3818 0.3433000 0.6220000 
1 1 1    6    8   15 o   22.160   0.2187   22.010   0.3132   22.300   0.3054 -0.2975000 0.4374000 
1 1 1    6    8   16 o   31.550   0.2387   31.440   0.3384   31.660   0.3366 -0.2185000 0.4773000 
1 1 1    6    8   17 o   18.610   0.2441   18.490   0.3489   18.730   0.3416 -0.2454000 0.4883000 
1 1 1    6    8   18 o   8.4910   0.4177   8.2940   0.6029   8.6890   0.5781 -0.3948000 0.8353000 
1 1 1    6    8   19 o   32.230   0.3657   31.940   0.4289   32.530   0.5923 -0.5889000 0.7313000 
1 1 1    6    8   20 f   6.2500   0.5476   5.5860   0.8628   6.9140   0.6744 -1.328000 1.095000 
1 1 1    6    8   21 o   2.5670   0.7321   2.0960   0.9606   3.0380   1.1050 -0.9423000 1.464000 
1 1 1    6    8   22 o   12.880   0.2866   13.190   0.3991   12.560   0.4115 0.6287000 0.5733000 
1 1 1    6    8   23 o   4.4130   0.7237   4.4790   1.0150   4.3480   1.0320 0.1313000 1.447000 
1 1 1    6    8   24 o   7.8260   0.3914   7.3890   0.5449   8.2630   0.5620 -0.8737000 0.7828000 
1 1 1    6    8   25 o   12.670   0.2747   12.570   0.3639   12.770   0.4117 -0.2028000 0.5494000 
1 1 1    6    8   26 o   3.2880   0.6956   4.2260   0.9493   2.3500   1.0170 1.876000 1.391000 
1 1 1    6    8   27 o   4.7500   0.8483   4.2280   1.2200   5.2720   1.1790 -1.044000 1.697000 
1 1 1    6    8   28 o   4.0960   0.7539   3.6780   1.0630   4.5140   1.0700 -0.8357000 1.508000 
1 1 1    6    8   29 o   9.9000   0.3598   9.4470   0.5029   10.350   0.5147 -0.9064000 0.7196000 
1 1 1    6    8   30 o   2.5790   0.7219   1.7800   0.8548   3.3780   1.1640 -1.599000 1.444000 
1 1 1    6    8   31 o   1.9330   0.6804   1.8640   0.9245   2.0020   0.9984 -0.1385000 1.361000 
1 1 1    6    8   32 o   4.0160   0.7732   4.7660   0.9959   3.2660   1.1830 1.500000 1.546000 
1 1 1    6   10    0 o   19.950   0.1506   20.030   0.2126   19.870   0.2133 0.1597000 0.3011000 
1 1 1    6   10    1 o   38.260   0.2094   38.240   0.2958   38.270   0.2964 -0.2979000E-01 0.4187000 
1 1 1    6   10    2 o   18.320   0.1649   18.300   0.2499   18.340   0.2152 -0.4190000E-01 0.3298000 
1 1 1    6   10    3 o   36.530   0.2189   36.470   0.3300   36.580   0.2876 -0.1139000 0.4378000 
1 1 1    6   10    4 o   34.810   0.2118   34.730   0.3190   34.890   0.2788 -0.1591000 0.4236000 
1 1 1    6   10    5 o   26.570   0.1943   26.630   0.2743   26.500   0.2752 0.1294000 0.3886000 
1 1 1    6   10    6 o   8.4220   0.2660   8.3700   0.3769   8.4740   0.3756 -0.1041000 0.5321000 
1 1 1    6   10    7 o   14.930   0.1925   15.060   0.2736   14.810   0.2707 0.2517000 0.3849000 
1 1 1    6   10    8 o   29.800   0.2117   29.520   0.2974   30.080   0.3015 -0.5609000 0.4234000 
1 1 1    6   10    9 o   32.590   0.2250   32.930   0.3190   32.250   0.3174 0.6779000 0.4500000 
1 1 1    6   10   10 o   33.180   0.2296   33.070   0.3240   33.300   0.3253 -0.2330000 0.4592000 
1 1 1    6   10   11 f   49.370   0.3060   49.260   0.4323   49.480   0.4332 -0.2109000 0.6120000 
1 1 1    6   10   12 o   56.240   0.5950  ?   ?    56.240   0.5950      ?      ? 
1 1 1    6   10   13 o   22.900   0.3127   22.370   0.4978   23.430   0.3785 -1.055000 0.6253000 
1 1 1    6   10   14 o   29.080   0.2288   28.910   0.3254   29.260   0.3217 -0.3486000 0.4576000 
1 1 1    6   10   15 o   38.020   0.2632   37.850   0.3739   38.190   0.3705 -0.3355000 0.5264000 
1 1 1    6   10   16 o   18.610   0.2481   18.590   0.3592   18.630   0.3423 -0.3464000E-01 0.4962000 
1 1 1    6   10   17 o   21.390   0.2351   21.190   0.3373   21.590   0.3276 -0.4005000 0.4702000 
1 1 1    6   10   18 o   12.920   0.4216   12.780   0.5453   13.070   0.6432 -0.2892000 0.8433000 
1 1 1    6   10   19 o   9.5760   0.3604   9.8330   0.4948   9.3200   0.5240 0.5129000 0.7207000 
1 1 1    6   10   20 o   6.8150   0.4797   7.1940   0.6451   6.4360   0.7101 0.7579000 0.9594000 
1 1 1    6   10   21 o   8.9170   0.3832   8.8350   0.5522   9.0000   0.5315 -0.1652000 0.7665000 
1 1 1    6   10   22 o   5.8670   0.5742   5.5490   0.8684   6.1850   0.7514 -0.6368000 1.148000 
1 1 1    6   10   23 o   8.9440   0.3786   8.7060   0.5521   9.1810   0.5184 -0.4754000 0.7573000 
1 1 1    6   10   24 o   4.7820   0.6849   5.2190   0.9016   4.3440   1.0310 0.8754000 1.370000 
1 1 1    6   10   25 o   3.8310   0.7613   4.3310   1.0490   3.3320   1.1030 0.9989000 1.523000 
1 1 1    6   10   26 o   4.4040   0.9055   3.5640   1.3960   5.2440   1.1540 -1.680000 1.811000 
1 1 1    6   10   27 o   9.9030   0.3512   10.090   0.4558   9.7130   0.5343 0.3787000 0.7023000 
1 1 1    6   10   28 o   2.4740   0.7389   2.1350   0.9612   2.8130   1.1230 -0.6779000 1.478000 
1 1 1    6   10   29 o   2.3590   0.7276   2.2830   1.0000   2.4340   1.0570 -0.1504000 1.455000 
1 1 1    6   10   30 o   2.9780   0.8454   2.6240   1.1210   3.3320   1.2650 -0.7080000 1.691000 
1 1 1    6   10   31 o   2.1920   0.7252   2.1460   0.9926   2.2370   1.0580 -0.9116000E-01 1.450000 
1 1 1    6   12    0 o   17.010   0.1648   16.930   0.2326   17.090   0.2336 -0.1656000 0.3297000 
1 1 1    6   12    1 o   43.980   0.2382   43.870   0.3358   44.080   0.3380 -0.2086000 0.4764000 
1 1 1    6   12    2 o   25.860   0.1723   25.810   0.2430   25.910   0.2444 -0.9850000E-01 0.3446000 
1 1 1    6   12    3 f   23.930   0.1831   23.890   0.2757   23.960   0.2410 -0.7254000E-01 0.3662000 
1 1 1    6   12    4 o   31.160   0.2045   31.460   0.3104   30.860   0.2664 0.6076000 0.4091000 
1 1 1    6   12    5 o   31.010   0.2037   30.770   0.3063   31.250   0.2687 -0.4748000 0.4075000 
1 1 1    6   12    6 o   22.580   0.1958   22.760   0.2769   22.400   0.2769 0.3534000 0.3916000 
1 1 1    6   12    7 o   37.190   0.2466   37.340   0.3494   37.040   0.3480 0.2986000 0.4932000 
1 1 1    6   12    8 o   11.770   0.2468   11.820   0.3515   11.730   0.3466 0.9039000E-01 0.4937000 
1 1 1    6   12    9 f   18.370   0.2118   18.320   0.3033   18.420   0.2958 -0.9574000E-01 0.4237000 
1 1 1    6   12   10 o   24.120   0.3172   23.950   0.5050   24.300   0.3839 -0.3522000 0.6343000 
1 1 1    6   12   11 o   24.650   0.3241   25.390   0.5148   23.910   0.3939 1.485000 0.6482000 
1 1 1    6   12   12 o   8.0030   0.3951   7.8090   0.5750   8.1980   0.5421 -0.3885000 0.7903000 
1 1 1    6   12   13 o   6.9220   0.4967   6.1070   0.7771   7.7380   0.6189 -1.631000 0.9934000 
1 1 1    6   12   14 o   15.150   0.2673   15.150   0.3749   15.150   0.3811 -0.6170000E-03 0.5346000 
1 1 1    6   12   15 o   18.420   0.2465   18.720   0.3441   18.110   0.3529 0.6118000 0.4929000 
1 1 1    6   12   16 o   7.0420   0.5000   6.7100   0.7395   7.3740   0.6733 -0.6636000 1.000000 
1 1 1    6   12   17 o   9.3830   0.5262   9.4280   0.6880   9.3380   0.7963 0.8998000E-01 1.052000 
1 1 1    6   12   18 o   2.8380   0.7767   2.9610   1.1180   2.7160   1.0780 0.2456000 1.553000 
1 1 1    6   12   19 o   17.080   0.2495   17.100   0.3614   17.060   0.3440 0.4286000E-01 0.4989000 
1 1 1    6   12   20 o   2.7520   0.6899   3.9020   1.1340   1.6020   0.7866 2.300000 1.380000 
1 1 1    6   12   21 o   2.6180   0.7225   1.9550   0.9208   3.2810   1.1140 -1.326000 1.445000 
1 1 1    6   12   22 o   4.7560   0.7420   5.2330   0.9270   4.2780   1.1590 0.9550000 1.484000 
1 1 1    6   12   23 o   6.9890   0.4753   7.5120   0.6381   6.4650   0.7047 1.047000 0.9507000 
1 1 1    6   12   24 o   3.1420   0.7835   3.5070   1.1360   2.7760   1.0790 0.7313000 1.567000 
1 1 1    6   12   25 o   6.4490   0.7856   6.0660   1.2980   6.8330   0.8856 -0.7671000 1.571000 
1 1 1    6   12   26 o   4.5130   0.7836   4.2540   1.2030   4.7720   1.0040 -0.5183000 1.567000 
1 1 1    6   12   27 o   4.6850   0.7380   4.8790   0.9983   4.4910   1.0870 0.3880000 1.476000 
1 1 1    6   12   28 o   4.3790   0.7569   3.5300   1.1750   5.2270   0.9547 -1.697000 1.514000 
1 1 1    6   12   29 f   2.2440   0.7483   2.3520   1.1030   2.1370   1.0120 0.2151000 1.497000 
1 1 1    6   12   30 o   2.1260   0.7060   2.2030   1.0090   2.0500   0.9883 0.1529000 1.412000 
1 1 1    6   14    0 o   16.000   0.1837   15.950   0.2581   16.050   0.2614 -0.9280000E-01 0.3674000 
1 1 1    6   14    1 o   42.220   0.2345   42.140   0.3309   42.300   0.3323 -0.1585000 0.4689000 
1 1 1    6   14    2 o   14.080   0.1956   13.880   0.2760   14.270   0.2773 -0.3904000 0.3912000 
1 1 1    6   14    3 o   15.660   0.1887   15.730   0.2640   15.590   0.2696 0.1315000 0.3773000 
1 1 1    6   14    4 o   67.440   0.3767   67.490   0.5698   67.390   0.4928 0.1042000 0.7533000 
1 1 1    6   14    5 o   37.210   0.2349   37.490   0.3564   36.940   0.3061 0.5459000 0.4698000 
1 1 1    6   14    6 o   23.890   0.2302   24.070   0.3533   23.710   0.2951 0.3604000 0.4604000 
1 1 1    6   14    7 o   7.4050   0.5490   7.4960   0.8346   7.3140   0.7135 0.1818000 1.098000 
1 1 1    6   14    8 o   9.4000   0.4814   8.6980   0.7708   10.100   0.5769 -1.403000 0.9627000 
1 1 1    6   14    9 o   5.8580   0.5474   5.3370   0.8304   6.3800   0.7135 -1.043000 1.095000 
1 1 1    6   14   10 o   8.0060   0.4065   7.3150   0.6139   8.6970   0.5330 -1.382000 0.8130000 
1 1 1    6   14   11 o   19.370   0.2567   18.920   0.3349   19.830   0.3891 -0.9136000 0.5134000 
1 1 1    6   14   12 o   40.500   0.2762   40.530   0.3904   40.460   0.3906 0.7630000E-01 0.5523000 
1 1 1    6   14   13 o   20.850   0.2402   20.990   0.3349   20.700   0.3444 0.2915000 0.4804000 
1 1 1    6   14   14 o   21.920   0.2364   21.890   0.3334   21.950   0.3352 -0.5780000E-01 0.4728000 
1 1 1    6   14   15 o   14.940   0.3918   14.980   0.4922   14.900   0.6098 0.7405000E-01 0.7837000 
1 1 1    6   14   16 o   16.730   0.2532   16.740   0.3551   16.730   0.3609 0.4421000E-02 0.5063000 
1 1 1    6   14   17 o   14.900   0.2684   14.680   0.3836   15.130   0.3755 -0.4535000 0.5368000 
1 1 1    6   14   18 o   3.3600   0.7901   3.2760   1.1210   3.4430   1.1130 -0.1672000 1.580000 
1 1 1    6   14   19 o   4.7560   0.6960   4.4440   1.0500   5.0680   0.9139 -0.6241000 1.392000 
1 1 1    6   14   20 o   6.1930   0.5252   6.4820   0.7136   5.9030   0.7709 0.5797000 1.050000 
1 1 1    6   14   21 o   2.8870   0.7686   3.0950   1.1050   2.6780   1.0690 0.4172000 1.537000 
1 1 1    6   14   22 o   5.4620   0.6119   5.5790   0.8460   5.3450   0.8842 0.2344000 1.224000 
1 1 1    6   14   23 o   8.6730   0.3964   8.7610   0.5611   8.5850   0.5601 0.1758000 0.7928000 
1 1 1    6   14   24 o   3.2400   0.9194   3.4520   1.3630   3.0290   1.2340 0.4232000 1.839000 
1 1 1    6   14   25 o   3.6120   0.7969   4.2770   1.1260   2.9460   1.1280 1.331000 1.594000 
1 1 1    6   14   26 o   5.8970   0.6091   5.5130   0.9043   6.2800   0.8163 -0.7662000 1.218000 
1 1 1    6   14   27 o   3.0930   0.8027   3.5770   1.1770   2.6090   1.0920 0.9676000 1.605000 
1 1 1    6   14   28 o   1.8480   0.6471   1.8720   0.9317   1.8240   0.8983 0.4786000E-01 1.294000 
1 1 1    6   14   29 o   2.8870   0.8565   3.1750   1.2050   2.5980   1.2180 0.5770000 1.713000 
1 1 1    6   16    0 o   17.990   0.2483   17.500   0.3195   18.470   0.3803 -0.9686000 0.4967000 
1 1 1    6   16    1 o   6.8340   0.5364   7.1180   0.7098   6.5490   0.8044 0.5689000 1.073000 
1 1 1    6   16    2 o   34.590   0.2999   34.340   0.4187   34.850   0.4295 -0.5099000 0.5998000 
1 1 1    6   16    3 o   19.570   0.2243   19.670   0.3118   19.480   0.3224 0.1859000 0.4485000 
1 1 1    6   16    4 o   27.320   0.2832   26.390   0.3926   28.250   0.4082 -1.853000 0.5663000 
1 1 1    6   16    5 o   5.4100   0.5608   6.0290   0.7615   4.7920   0.8235 1.236000 1.122000 
1 1 1    6   16    6 o   25.670   0.2131   25.460   0.3204   25.880   0.2810 -0.4272000 0.4262000 
1 1 1    6   16    7 o   32.630   0.2284   32.630   0.3446   32.620   0.2998 0.1591000E-01 0.4567000 
1 1 1    6   16    8 o   8.5260   0.3692   8.4890   0.5495   8.5640   0.4932 -0.7494000E-01 0.7384000 
1 1 1    6   16    9 o   38.050   0.2655   37.870   0.3756   38.240   0.3754 -0.3762000 0.5311000 
1 1 1    6   16   10 o   38.950   0.2705   39.100   0.3827   38.810   0.3823 0.2898000 0.5410000 
1 1 1    6   16   11 o   6.8470   0.5116   6.9840   0.6879   6.7100   0.7574 0.2743000 1.023000 
1 1 1    6   16   12 o   44.850   0.4437   44.850   0.5201   44.850   0.7190 0.3880000E-02 0.8874000 
1 1 1    6   16   13 o   14.460   0.3900   14.310   0.5035   14.620   0.5958 -0.3083000 0.7801000 
1 1 1    6   16   14 o   15.880   0.2623   15.700   0.3686   16.060   0.3732 -0.3535000 0.5245000 
1 1 1    6   16   15 o   16.810   0.2550   16.970   0.3634   16.650   0.3579 0.3213000 0.5101000 
1 1 1    6   16   16 o   5.5770   0.6251   4.7140   0.9912   6.4400   0.7621 -1.726000 1.250000 
1 1 1    6   16   17 o   7.6840   0.4430   8.0430   0.6009   7.3250   0.6509 0.7182000 0.8859000 
1 1 1    6   16   18 o   7.0330   0.4837   6.5240   0.7222   7.5420   0.6436 -1.018000 0.9674000 
1 1 1    6   16   19 o   7.3970   0.4519   7.7260   0.6050   7.0680   0.6713 0.6578000 0.9037000 
1 1 1    6   16   20 o   10.560   0.3322   10.340   0.4785   10.790   0.4610 -0.4522000 0.6644000 
1 1 1    6   16   21 o   3.3500   0.7136   4.4940   1.0340   2.2060   0.9840 2.288000 1.427000 
1 1 1    6   16   22 o   7.0320   0.5718   6.7400   0.7408   7.3230   0.8713 -0.5828000 1.144000 
1 1 1    6   16   23 o   3.9110   0.9417   3.6080   1.3840   4.2150   1.2770 -0.6071000 1.883000 
1 1 1    6   16   24 o   3.4420   0.8090   3.0600   1.1490   3.8230   1.1400 -0.7639000 1.618000 
1 1 1    6   16   25 o   2.9250   0.7996   3.0610   1.1330   2.7890   1.1280 0.2723000 1.599000 
1 1 1    6   16   26 o   2.6010   0.7701   2.4260   1.0510   2.7760   1.1260 -0.3500000 1.540000 
1 1 1    6   16   27 o   2.6580   0.8237   2.3470   1.1010   2.9680   1.2260 -0.6212000 1.647000 
1 1 1    6   16   28 o   3.9010   0.8269   4.7660   1.1050   3.0360   1.2300 1.730000 1.654000 
1 1 1    6   18    0 f   12.470   0.2568   12.420   0.3638   12.520   0.3625 -0.9879000E-01 0.5136000 
1 1 1    6   18    1 o   45.580   0.2577   45.430   0.3630   45.740   0.3660 -0.3057000 0.5155000 
1 1 1    6   18    2 f   51.350   0.2818   51.030   0.3962   51.680   0.4008 -0.6452000 0.5636000 
1 1 1    6   18    3 o   52.260   0.2859   52.480   0.4053   52.040   0.4033 0.4425000 0.5718000 
1 1 1    6   18    4 o   6.7300   0.4830   6.6230   0.7371   6.8370   0.6245 -0.2141000 0.9661000 
1 1 1    6   18    5 o   11.090   0.3059   11.570   0.4472   10.610   0.4176 0.9590000 0.6119000 
1 1 1    6   18    6 o   11.480   0.3006   11.450   0.4459   11.510   0.4034 -0.5722000E-01 0.6013000 
1 1 1    6   18    7 o   10.260   0.3297   9.5250   0.5159   11.000   0.4108 -1.477000 0.6595000 
1 1 1    6   18    8 o   12.700   0.2903   13.040   0.3997   12.370   0.4212 0.6636000 0.5807000 
1 1 1    6   18    9 o   19.590   0.3004   19.290   0.4320   19.900   0.4175 -0.6046000 0.6007000 
1 1 1    6   18   10 o   9.0270   0.4881   9.2180   0.6940   8.8360   0.6866 0.3827000 0.9762000 
1 1 1    6   18   11 o   18.880   0.2445   19.350   0.3460   18.410   0.3455 0.9359000 0.4889000 
1 1 1    6   18   12 o   12.080   0.3082   12.010   0.4374   12.140   0.4345 -0.1261000 0.6165000 
1 1 1    6   18   13 o   3.5740   0.8048   3.3040   1.1410   3.8440   1.1360 -0.5398000 1.610000 
1 1 1    6   18   14 o   17.200   0.2598   17.020   0.3600   17.390   0.3747 -0.3695000 0.5196000 
1 1 1    6   18   15 o   8.2080   0.4207   8.3770   0.5781   8.0390   0.6114 0.3388000 0.8414000 
1 1 1    6   18   16 o   8.2330   0.4150   8.0810   0.5920   8.3850   0.5819 -0.3049000 0.8301000 
1 1 1    6   18   17 o   2.9930   0.7563   2.3750   1.0230   3.6110   1.1140 -1.235000 1.513000 
1 1 1    6   18   18 o   6.6860   0.5005   6.5230   0.7148   6.8490   0.7007 -0.3253000 1.001000 
1 1 1    6   18   19 o   6.2760   0.5432   5.8840   0.8272   6.6680   0.7043 -0.7836000 1.086000 
1 1 1    6   18   20 o   3.1800   0.7951   3.3900   1.1300   2.9710   1.1190 0.4188000 1.590000 
1 1 1    6   18   21 o   7.7840   0.6506   7.6300   1.0180   7.9370   0.8104 -0.3065000 1.301000 
1 1 1    6   18   22 o   6.4540   0.5261   6.5120   0.7489   6.3950   0.7391 0.1163000 1.052000 
1 1 1    6   18   23 o   5.3110   0.6717   5.4140   0.9484   5.2080   0.9513 0.2053000 1.343000 
1 1 1    6   18   24 o   5.2550   0.6928   4.7840   1.0720   5.7270   0.8782 -0.9434000 1.386000 
1 1 1    6   18   25 o   5.2260   0.7169   5.4090   0.9922   5.0430   1.0350 0.3662000 1.434000 
1 1 1    6   18   26 o   4.3420   1.0120   3.7460   1.3820   4.9380   1.4790 -1.192000 2.024000 
1 1 1    6   18   27 o   1.7400   0.6023   1.6310   0.8099   1.8490   0.8917 -0.2179000 1.205000 
1 1 1    6   20    0 o   14.790   0.2736   14.610   0.3971   14.980   0.3765 -0.3673000 0.5472000 
1 1 1    6   20    1 f   28.830   0.2407   28.560   0.3419   29.100   0.3389 -0.5411000 0.4814000 
1 1 1    6   20    2 o   15.120   0.3098   14.950   0.4849   15.290   0.3858 -0.3417000 0.6197000 
1 1 1    6   20    3 o   12.440   0.3725   12.340   0.5420   12.540   0.5113 -0.2003000 0.7451000 
1 1 1    6   20    4 o   15.050   0.3144   15.280   0.4851   14.810   0.3999 0.4636000 0.6287000 
1 1 1    6   20    5 o   3.6640   0.8906   3.7030   1.3530   3.6250   1.1580 0.7798000E-01 1.781000 
1 1 1    6   20    6 o   3.6100   0.7962   4.2860   1.1230   2.9330   1.1290 1.354000 1.592000 
1 1 1    6   20    7 f   9.2700   0.3504   9.2840   0.5197   9.2560   0.4702 0.2809000E-01 0.7008000 
1 1 1    6   20    8 o   5.1070   0.6284   6.2550   0.7558   3.9580   1.0040 2.297000 1.257000 
1 1 1    6   20    9 o   6.7580   0.4738   6.5080   0.7403   7.0070   0.5917 -0.4993000 0.9477000 
1 1 1    6   20   10 o   19.760   0.2277   19.600   0.3422   19.920   0.3004 -0.3255000 0.4553000 
1 1 1    6   20   11 o   14.750   0.2546   14.680   0.3839   14.830   0.3343 -0.1538000 0.5091000 
1 1 1    6   20   12 o   4.1740   0.7118   4.6720   0.9804   3.6770   1.0320 0.9952000 1.424000 
1 1 1    6   20   13 o   5.0630   0.6556   5.1500   0.9166   4.9760   0.9376 0.1739000 1.311000 
1 1 1    6   20   14 o   4.4660   0.7402   4.0300   1.1030   4.9020   0.9873 -0.8717000 1.480000 
1 1 1    6   20   15 o   2.9100   0.7758   2.4430   1.0400   3.3770   1.1510 -0.9345000 1.552000 
1 1 1    6   20   16 o   8.6490   0.4065   8.8230   0.5553   8.4750   0.5938 0.3481000 0.8130000 
1 1 1    6   20   17 o   7.9560   0.4287   8.1680   0.5917   7.7440   0.6207 0.4236000 0.8575000 
1 1 1    6   20   18 o   7.9090   0.4362   7.8980   0.6197   7.9190   0.6140 -0.2120000E-01 0.8724000 
1 1 1    6   20   19 f   7.7770   0.6516   8.1230   0.9801   7.4300   0.8590 0.6923000 1.303000 
1 1 1    6   20   20 o   9.1810   0.4030   8.7190   0.5980   9.6430   0.5404 -0.9237000 0.8060000 
1 1 1    6   20   21 o   4.1820   0.7959   4.3840   1.0820   3.9800   1.1680 0.4047000 1.592000 
1 1 1    6   20   22 o   4.1840   0.7879   3.5710   1.1800   4.7980   1.0440 -1.227000 1.576000 
1 1 1    6   20   23 o   2.4070   0.7426   2.3010   1.0270   2.5140   1.0720 -0.2134000 1.485000 
1 1 1    6   20   24 o   3.7120   0.9831   3.2960   1.3150   4.1280   1.4620 -0.8322000 1.966000 
1 1 1    6   20   25 o   3.5470   0.7597   4.7580   1.0750   2.3360   1.0740 2.422000 1.519000 
1 1 1    6   22    0 o   5.2260   0.5836   4.7380   0.8958   5.7150   0.7482 -0.9771000 1.167000 
1 1 1    6   22    1 f   15.480   0.2347   15.960   0.3268   15.010   0.3370 0.9495000 0.4695000 
1 1 1    6   22    2 o   14.390   0.2442   14.710   0.3397   14.070   0.3510 0.6402000 0.4885000 
1 1 1    6   22    3 o   10.710   0.2968   10.740   0.4159   10.680   0.4234 0.6748000E-01 0.5935000 
1 1 1    6   22    4 o   13.920   0.2659   13.960   0.3988   13.870   0.3519 0.8888000E-01 0.5319000 
1 1 1    6   22    5 o   7.9910   0.4126   8.3350   0.6099   7.6480   0.5557 0.6873000 0.8251000 
1 1 1    6   22    6 o   8.6380   0.3841   8.5590   0.5907   8.7180   0.4912 -0.1585000 0.7683000 
1 1 1    6   22    7 f   3.9080   0.6936   5.1220   0.9224   2.6940   1.0360 2.429000 1.387000 
1 1 1    6   22    8 o   3.1630   0.7734   3.3840   1.1360   2.9420   1.0500 0.4425000 1.547000 
1 1 1    6   22    9 o   5.7320   0.5650   5.5340   0.8895   5.9300   0.6970 -0.3965000 1.130000 
1 1 1    6   22   10 o   2.4570   0.7225   2.4050   1.0340   2.5100   1.0090 -0.1057000 1.445000 
1 1 1    6   22   11 o   3.3150   0.7516   3.8230   1.0970   2.8080   1.0270 1.014000 1.503000 
1 1 1    6   22   12 o   3.3270   0.7652   3.6210   1.1200   3.0330   1.0420 0.5875000 1.530000 
1 1 1    6   22   13 o   5.9340   0.5156   6.4600   0.7224   5.4070   0.7358 1.052000 1.031000 
1 1 1    6   22   14 o   3.3210   0.6717   4.5980   0.9907   2.0440   0.9072 2.555000 1.343000 
1 1 1    6   22   15 o   3.5880   0.7780   4.0430   1.0900   3.1340   1.1110 0.9086000 1.556000 
1 1 1    6   22   16 o   3.4210   0.9584   3.2180   1.3190   3.6230   1.3910 -0.4052000 1.917000 
1 1 1    6   22   17 o   3.2630   0.8981   3.6210   1.3750   2.9050   1.1560 0.7164000 1.796000 
1 1 1    6   22   18 o   5.8140   0.6365   5.1210   0.9880   6.5070   0.8028 -1.386000 1.273000 
1 1 1    6   22   19 o   4.0930   0.8101   4.2610   1.1110   3.9250   1.1790 0.3358000 1.620000 
1 1 1    6   22   20 o   2.8540   0.7646   3.5840   1.1680   2.1240   0.9874 1.460000 1.529000 
1 1 1    6   22   21 o   3.8320   0.8391   4.0910   1.1680   3.5730   1.2050 0.5174000 1.678000 
1 1 1    6   22   22 o   3.0340   0.9339   2.7800   1.2280   3.2870   1.4080 -0.5071000 1.868000 
1 1 1    6   22   23 o   3.0170   0.8262   3.4100   1.1840   2.6240   1.1530 0.7859000 1.652000 
1 1 1    6   24    0 o   7.2670   0.4127   6.8800   0.6117   7.6540   0.5542 -0.7738000 0.8254000 
1 1 1    6   24    1 o   6.1860   0.4739   6.2640   0.6653   6.1070   0.6750 0.1566000 0.9478000 
1 1 1    6   24    2 o   9.4160   0.3226   9.2830   0.4582   9.5490   0.4541 -0.2661000 0.6451000 
1 1 1    6   24    3 o   1.7830   0.5936   1.6350   0.7892   1.9300   0.8869 -0.2946000 1.187000 
1 1 1    6   24    4 o   8.3670   0.3925   8.4560   0.5926   8.2780   0.5147 0.1783000 0.7849000 
1 1 1    6   24    5 o   7.2130   0.4557   7.4720   0.6899   6.9540   0.5955 0.5180000 0.9114000 
1 1 1    6   24    6 o   9.6340   0.3529   9.2460   0.5588   10.020   0.4312 -0.7757000 0.7058000 
1 1 1    6   24    7 o   8.3510   0.3968   8.3810   0.6080   8.3210   0.5100 0.5981000E-01 0.7936000 
1 1 1    6   24    8 o   3.7070   0.7604   3.9900   1.1090   3.4230   1.0410 0.5668000 1.521000 
1 1 1    6   24    9 o   3.0510   0.7576   2.7830   1.0910   3.3180   1.0510 -0.5344000 1.515000 
1 1 1    6   24   10 o   6.1860   0.4998   5.9040   0.7887   6.4680   0.6139 -0.5632000 0.9995000 
1 1 1    6   24   11 f   7.1860   0.4244   7.0950   0.6475   7.2770   0.5487 -0.1818000 0.8488000 
1 1 1    6   24   12 o   4.3100   0.9514   4.6460   1.3760   3.9730   1.3140 0.6727000 1.903000 
1 1 1    6   24   13 o   4.4300   0.9488   3.9710   1.4090   4.8890   1.2710 -0.9177000 1.898000 
1 1 1    6   24   14 o   6.8380   0.4860   7.2230   0.6784   6.4520   0.6962 0.7713000 0.9721000 
1 1 1    6   24   15 o   3.9530   0.7675   3.9450   1.1140   3.9620   1.0560 -0.1622000E-01 1.535000 
1 1 1    6   24   16 o   4.1660   0.7669   3.9570   1.1450   4.3740   1.0210 -0.4170000 1.534000 
1 1 1    6   24   17 o   5.8400   0.6378   4.6790   1.0390   7.0010   0.7396 -2.322000 1.276000 
1 1 1    6   24   18 o   2.3250   0.7300   2.0930   0.9668   2.5570   1.0940 -0.4643000 1.460000 
1 1 1    6   24   19 o   2.3620   0.7712   2.0870   1.0080   2.6370   1.1670 -0.5503000 1.542000 
1 1 1    6   24   20 o   2.6310   0.8456   2.5990   1.1740   2.6630   1.2170 -0.6342000E-01 1.691000 
1 1 1    6   24   21 o   1.9360   0.6561   1.6920   0.8323   2.1810   1.0140 -0.4895000 1.312000 
1 1 1    6   26    0 o   2.2070   0.6779   2.0810   0.9291   2.3320   0.9874 -0.2509000 1.356000 
1 1 1    6   26    1 o   13.610   0.2557   13.650   0.3570   13.570   0.3661 0.8020000E-01 0.5114000 
1 1 1    6   26    2 o   8.5690   0.3587   8.5490   0.5136   8.5890   0.5008 -0.4038000E-01 0.7174000 
1 1 1    6   26    3 o   13.000   0.2623   13.400   0.3667   12.590   0.3752 0.8068000 0.5247000 
1 1 1    6   26    4 o   3.9170   0.7303   4.7740   0.9954   3.0610   1.0690 1.712000 1.461000 
1 1 1    6   26    5 o   3.1190   0.7843   2.4660   1.1010   3.7710   1.1170 -1.305000 1.569000 
1 1 1    6   26    6 o   3.5520   0.8120   2.9380   1.2050   4.1660   1.0880 -1.228000 1.624000 
1 1 1    6   26    7 o   5.5030   0.8902   5.3960   1.3830   5.6090   1.1210 -0.2126000 1.780000 
1 1 1    6   26    8 o   9.1890   0.5676   9.1630   0.8744   9.2160   0.7238 -0.5268000E-01 1.135000 
1 1 1    6   26    9 o   4.6360   0.8133   4.8860   1.1580   4.3860   1.1420 0.4992000 1.627000 
1 1 1    6   26   10 o   3.2350   0.7772   3.0270   1.1250   3.4420   1.0720 -0.4151000 1.554000 
1 1 1    6   26   11 o   3.5930   0.7506   4.4360   1.0600   2.7510   1.0620 1.685000 1.501000 
1 1 1    6   26   12 o   4.9460   0.6715   4.7660   1.0290   5.1250   0.8635 -0.3586000 1.343000 
1 1 1    6   26   13 o   3.8120   0.7528   3.0460   1.1540   4.5780   0.9668 -1.533000 1.506000 
1 1 1    6   26   14 o   4.2010   0.7644   4.1070   1.1390   4.2950   1.0190 -0.1881000 1.529000 
1 1 1    6   26   15 o   3.5180   0.7710   2.8910   1.1210   4.1440   1.0590 -1.253000 1.542000 
1 1 1    6   26   16 o   3.8640   0.9056   4.4930   1.3480   3.2350   1.2100 1.258000 1.811000 
1 1 1    6   26   17 o   2.2520   0.7508   2.1200   1.0230   2.3850   1.0990 -0.2655000 1.502000 
1 1 1    6   26   18 o   2.4260   0.7411   2.2520   1.0200   2.6000   1.0750 -0.3484000 1.482000 
1 1 1    6   28    0 o   3.0720   0.7631   3.0330   1.0740   3.1100   1.0840 -0.7702000E-01 1.526000 
1 1 1    6   28    1 o   2.7080   0.7159   2.0600   0.9349   3.3570   1.0840 -1.297000 1.432000 
1 1 1    6   28    2 o   2.2420   0.6866   2.4900   1.0270   1.9950   0.9112 0.4947000 1.373000 
1 1 1    6   28    3 o   6.3210   0.4821   6.2900   0.6903   6.3530   0.6732 -0.6254000E-01 0.9642000 
1 1 1    6   28    4 o   3.7210   0.7786   4.1920   1.1210   3.2500   1.0810 0.9425000 1.557000 
1 1 1    6   28    5 o   4.7610   0.6940   5.6160   0.9222   3.9070   1.0370 1.709000 1.388000 
1 1 1    6   28    6 f   2.9680   0.7368   2.2690   1.0210   3.6670   1.0630 -1.398000 1.474000 
1 1 1    6   28    7 o   1.7240   0.5882   1.5490   0.7728   1.8990   0.8868 -0.3503000 1.176000 
1 1 1    6   28    8 o   4.9510   0.6753   5.5070   0.9354   4.3960   0.9744 1.111000 1.351000 
1 1 1    6   28    9 o   2.0730   0.6721   2.2290   1.0070   1.9180   0.8907 0.3106000 1.344000 
1 1 1    6   28   10 o   5.9770   0.5852   5.7040   0.9102   6.2490   0.7356 -0.5447000 1.170000 
1 1 1    6   28   11 o   3.2250   0.8080   3.3040   1.1710   3.1460   1.1140 0.1580000 1.616000 
1 1 1    6   28   12 f   2.3400   0.7651   2.7930   1.2190   1.8860   0.9249 0.9072000 1.530000 
1 1 1    6   28   13 o   2.0510   0.7015   2.0250   0.9898   2.0770   0.9944 -0.5112000E-01 1.403000 
1 1 1    6   28   14 o   3.5090   0.8136   3.7280   1.1870   3.2890   1.1130 0.4389000 1.627000 
1 1 1    6   30    0 o   3.8090   0.8191   3.2090   1.1940   4.4090   1.1210 -1.200000 1.638000 
1 1 1    6   30    1 o   3.8000   0.7789   4.7910   1.0790   2.8100   1.1240 1.981000 1.558000 
1 1 1    6   30    2 o   3.3960   0.8413   3.4650   1.1950   3.3270   1.1840 0.1383000 1.683000 
1 1 1    6   30    3 o   3.6870   0.8397   3.3390   1.2030   4.0350   1.1710 -0.6956000 1.679000 
1 1 1    6   30    4 o   5.6060   0.6604   6.1160   0.8669   5.0960   0.9966 1.020000 1.321000 
1 1 1    6   30    5 o   2.0760   0.6854   2.4080   1.0740   1.7450   0.8513 0.6629000 1.371000 
1 1 1    6   30    6 o   4.3640   0.9113   3.6040   1.3640   5.1240   1.2080 -1.519000 1.823000 
1 1 1    6   30    7 o   2.6390   0.8260   2.4780   1.1440   2.8000   1.1920 -0.3225000 1.652000 
1 1 1    6   30    8 o   2.7660   0.7888   2.2480   1.0630   3.2850   1.1660 -1.037000 1.578000 
1 1 1    6   30    9 o   2.6930   0.6731   1.5690   0.7813   3.8170   1.0960 -2.248000 1.346000 
1 1 1    7    1    0 o   48.070   0.2767   47.890   0.3900   48.250   0.3927 -0.3668000 0.5534000 
1 1 1    7    1    1 o   39.750   0.2306   39.520   0.3243   39.990   0.3280 -0.4748000 0.4613000 
1 1 1    7    1    2 o   31.810   0.1880   31.980   0.2674   31.630   0.2643 0.3530000 0.3760000 
1 1 1    7    1    3 o   51.150   0.4473   51.710   0.7359   50.580   0.5088 1.130000 0.8947000 
1 1 1    7    1    4 o   78.870   0.4542   79.090   0.6442   78.650   0.6405 0.4413000 0.9084000 
1 1 1    7    1    5 o   55.870   0.3252   55.750   0.4590   55.980   0.4609 -0.2277000 0.6504000 
1 1 1    7    1    6 o   60.250   0.3278   60.140   0.4283   60.370   0.4963 -0.2282000 0.6556000 
1 1 1    7    1    7 o   47.840   0.2646   48.090   0.3481   47.600   0.3986 0.4912000 0.5292000 
1 1 1    7    1    8 o   38.840   0.3558   38.760   0.4091   38.920   0.5822 -0.1591000 0.7116000 
1 1 1    7    1    9 o   31.220   0.1878   31.170   0.2454   31.270   0.2843 -0.9176000E-01 0.3756000 
1 1 1    7    1   10 f   25.590   0.1680   25.670   0.2202   25.510   0.2538 0.1606000 0.3360000 
1 1 1    7    1   11 o   14.940   0.1589   14.940   0.2063   14.950   0.2418 -0.1426000E-01 0.3178000 
1 1 1    7    1   12 o   22.440   0.1673   22.350   0.2179   22.540   0.2539 -0.1873000 0.3346000 
1 1 1    7    1   13 o   32.890   0.2044   32.950   0.2678   32.840   0.3090 0.1041000 0.4089000 
1 1 1    7    1   14 o   4.4710   0.4898   4.7080   0.5989   4.2330   0.7752 0.4753000 0.9796000 
1 1 1    7    1   15 o   3.7300   0.6419   4.3930   0.7624   3.0680   1.0330 1.324000 1.284000 
1 1 1    7    1   16 o   22.960   0.2545   22.860   0.3576   23.060   0.3623 -0.2025000 0.5090000 
1 1 1    7    1   17 o   15.690   0.2191   15.410   0.2874   15.970   0.3308 -0.5602000 0.4382000 
1 1 1    7    1   18 o   26.430   0.2107   26.420   0.2743   26.440   0.3200 -0.1619000E-01 0.4215000 
1 1 1    7    1   19 o   18.290   0.2268   18.300   0.2953   18.270   0.3444 0.2918000E-01 0.4537000 
1 1 1    7    1   20 o   4.6180   0.7240   5.8520   0.7029   3.3840   1.2660 2.468000 1.448000 
1 1 1    7    1   21 o   5.5880   0.8822   5.2710   1.1030   5.9050   1.3780 -0.6342000 1.764000 
1 1 1    7    1   22 o   17.050   0.2289   16.920   0.3012   17.180   0.3447 -0.2575000 0.4577000 
1 1 1    7    1   23 o   13.630   0.2610   13.910   0.3387   13.340   0.3971 0.5723000 0.5219000 
1 1 1    7    1   24 o   17.490   0.2309   17.480   0.3051   17.500   0.3466 -0.1452000E-01 0.4618000 
1 1 1    7    1   25 o   10.250   0.3213   9.9760   0.4328   10.520   0.4750 -0.5457000 0.6427000 
1 1 1    7    1   26 o   5.1210   0.6049   5.0170   0.8142   5.2240   0.8947 -0.2065000 1.210000 
1 1 1    7    1   27 o   3.0980   0.7670   3.2110   1.0520   2.9860   1.1170 0.2260000 1.534000 
1 1 1    7    1   28 o   5.6060   0.7497   4.6810   1.2030   6.5300   0.8957 -1.849000 1.499000 
1 1 1    7    1   29 o   3.6880   0.7336   2.5320   1.0670   4.8430   1.0070 -2.311000 1.467000 
1 1 1    7    1   30 o   2.9870   0.7314   4.0360   1.1380   1.9380   0.9188 2.099000 1.463000 
1 1 1    7    1   31 o   3.4150   0.8299   3.2700   1.1730   3.5600   1.1740 -0.2892000 1.660000 
1 1 1    7    1   32 o   2.4650   0.8442   2.6380   1.2590   2.2920   1.1250 0.3463000 1.688000 
1 1 1    7    1   33 o   1.8310   0.6273   1.7810   0.8672   1.8810   0.9065 -0.1003000 1.255000 
1 1 1    7    3    0 o   55.250   0.3194   55.090   0.4503   55.410   0.4530 -0.3151000 0.6387000 
1 1 1    7    3    1 o   36.200   0.2381   36.020   0.3666   36.390   0.3039 -0.3748000 0.4762000 
1 1 1    7    3    2 o   52.280   0.3728   52.140   0.5260   52.430   0.5284 -0.2871000 0.7456000 
1 1 1    7    3    3 o   31.150   0.1900   31.020   0.2678   31.280   0.2697 -0.2667000 0.3801000 
1 1 1    7    3    4 o   42.170   0.2499   42.490   0.3560   41.850   0.3509 0.6378000 0.4999000 
1 1 1    7    3    5 o   57.710   0.3365   57.730   0.4761   57.690   0.4756 0.4583000E-01 0.6730000 
1 1 1    7    3    6 o   64.090   0.3729   63.800   0.5250   64.380   0.5297 -0.5796000 0.7458000 
1 1 1    7    3    7 o   22.810   0.2426   22.320   0.2805   23.290   0.3960 -0.9736000 0.4852000 
1 1 1    7    3    8 o   47.890   0.3509   48.430   0.5007   47.360   0.4917 1.073000 0.7017000 
1 1 1    7    3    9 o   38.170   0.2361   38.110   0.3333   38.230   0.3345 -0.1168000 0.4722000 
1 1 1    7    3   10 o   21.560   0.1698   21.740   0.2410   21.370   0.2393 0.3668000 0.3396000 
1 1 1    7    3   11 o   20.520   0.1722   20.420   0.2436   20.610   0.2434 -0.1837000 0.3444000 
1 1 1    7    3   12 f   21.930   0.1798   21.770   0.2539   22.090   0.2547 -0.3191000 0.3596000 
1 1 1    7    3   13 o   15.370   0.1763   15.180   0.2306   15.560   0.2667 -0.3768000 0.3526000 
1 1 1    7    3   14 o   23.120   0.1820   23.210   0.2382   23.020   0.2752 0.1854000 0.3639000 
1 1 1    7    3   15 o   9.5630   0.2816   9.6430   0.3568   9.4830   0.4357 0.1600000 0.5632000 
1 1 1    7    3   16 o   25.970   0.2595   26.240   0.3644   25.700   0.3697 0.5406000 0.5191000 
1 1 1    7    3   17 o   37.960   0.2387   38.090   0.3133   37.830   0.3603 0.2617000 0.4774000 
1 1 1    7    3   18 o   31.480   0.2218   31.240   0.2891   31.730   0.3364 -0.4970000 0.4436000 
1 1 1    7    3   19 o   11.420   0.2999   11.050   0.4035   11.780   0.4439 -0.7326000 0.5999000 
1 1 1    7    3   20 o   7.7210   0.4650   7.8410   0.6384   7.6000   0.6762 0.2412000 0.9299000 
1 1 1    7    3   21 o   6.2310   0.8062   5.9500   1.0260   6.5120   1.2440 -0.5623000 1.612000 
1 1 1    7    3   22 o   8.3510   0.3752   8.4660   0.4853   8.2360   0.5723 0.2295000 0.7504000 
1 1 1    7    3   23 o   2.5590   0.7193   2.8580   1.0420   2.2590   0.9916 0.5990000 1.439000 
1 1 1    7    3   24 o   4.1780   0.7682   4.3410   0.9172   4.0140   1.2330 0.3265000 1.536000 
1 1 1    7    3   25 o   5.3100   0.5861   5.8010   0.6821   4.8200   0.9532 0.9815000 1.172000 
1 1 1    7    3   26 o   10.580   0.3107   10.520   0.4049   10.640   0.4714 -0.1217000 0.6214000 
1 1 1    7    3   27 o   4.5580   0.6757   4.9400   0.8326   4.1770   1.0640 0.7628000 1.351000 
1 1 1    7    3   28 o   7.4120   0.5643   7.3120   0.7777   7.5120   0.8179 -0.2003000 1.129000 
1 1 1    7    3   29 o   2.5190   0.7405   2.6990   1.0640   2.3380   1.0300 0.3615000 1.481000 
1 1 1    7    3   30 o   1.9380   0.6322   2.2870   0.9883   1.5890   0.7885 0.6984000 1.264000 
1 1 1    7    3   31 o   2.1890   0.6987   2.0500   0.9390   2.3280   1.0350 -0.2778000 1.397000 
1 1 1    7    3   32 o   2.6160   0.8564   2.4150   1.1200   2.8160   1.2960 -0.4008000 1.713000 
1 1 1    7    3   33 o   2.5680   1.2620   2.5680   1.2620  ?   ?       ?      ? 
1 1 1    7    5    0 o   94.280   0.4698   94.540   0.6662   94.010   0.6626 0.5238000 0.9396000 
1 1 1    7    5    1 o   57.090   0.3110   56.780   0.4678   57.400   0.4099 -0.6152000 0.6220000 
1 1 1    7    5    2 o   28.520   0.1803   28.720   0.2561   28.310   0.2540 0.4058000 0.3607000 
1 1 1    7    5    3 o   41.010   0.2458   41.290   0.3497   40.720   0.3455 0.5658000 0.4916000 
1 1 1    7    5    4 o   68.870   0.3999   68.560   0.5631   69.190   0.5680 -0.6298000 0.7998000 
1 1 1    7    5    5 o   40.700   0.2463   40.840   0.3493   40.550   0.3474 0.2889000 0.4927000 
1 1 1    7    5    6 o   35.840   0.3322   36.190   0.3931   35.490   0.5355 0.6985000 0.6643000 
1 1 1    7    5    7 o   68.140   0.4888   68.180   0.6918   68.090   0.6906 0.9056000E-01 0.9776000 
1 1 1    7    5    8 o   34.100   0.2173   33.940   0.3065   34.270   0.3081 -0.3242000 0.4346000 
1 1 1    7    5    9 o   38.010   0.2382   37.950   0.3366   38.070   0.3372 -0.1144000 0.4765000 
1 1 1    7    5   10 o   9.3240   0.2200   9.3790   0.3080   9.2690   0.3142 0.1101000 0.4400000 
1 1 1    7    5   11 o   16.190   0.2025   16.160   0.3162   16.210   0.2531 -0.4650000E-01 0.4050000 
1 1 1    7    5   12 o   37.210   0.2393   37.160   0.3383   37.260   0.3387 -0.1034000 0.4787000 
1 1 1    7    5   13 f   42.040   0.2647   42.090   0.3751   41.990   0.3735 0.9851000E-01 0.5294000 
1 1 1    7    5   14 f   17.530   0.2049   17.400   0.2894   17.650   0.2903 -0.2532000 0.4099000 
1 1 1    7    5   15 o   40.990   0.3975   41.050   0.6477   40.930   0.4611 0.1267000 0.7950000 
1 1 1    7    5   16 o   17.510   0.2263   17.650   0.3188   17.370   0.3212 0.2866000 0.4526000 
1 1 1    7    5   17 o   21.560   0.2237   21.190   0.3179   21.920   0.3147 -0.7215000 0.4473000 
1 1 1    7    5   18 o   40.710   0.2740   40.310   0.3863   41.100   0.3887 -0.7958000 0.5480000 
1 1 1    7    5   19 o   24.050   0.2144   24.160   0.2803   23.930   0.3244 0.2281000 0.4287000 
1 1 1    7    5   20 o   8.3020   0.6678   9.6260   0.6460   6.9790   1.1690 2.647000 1.336000 
1 1 1    7    5   21 o   3.7040   0.7541   3.3850   1.0470   4.0240   1.0850 -0.6388000 1.508000 
1 1 1    7    5   22 o   8.1900   0.3768   7.9520   0.5095   8.4280   0.5552 -0.4760000 0.7536000 
1 1 1    7    5   23 o   16.330   0.2323   16.780   0.3028   15.880   0.3523 0.9067000 0.4645000 
1 1 1    7    5   24 o   7.2170   0.4277   7.1640   0.5627   7.2710   0.6443 -0.1067000 0.8554000 
1 1 1    7    5   25 o   6.2780   0.5185   7.1450   0.5603   5.4110   0.8727 1.734000 1.037000 
1 1 1    7    5   26 o   6.0740   0.5285   6.7540   0.6164   5.3930   0.8587 1.361000 1.057000 
1 1 1    7    5   27 o   5.1030   0.6223   5.5990   0.7378   4.6070   1.0020 0.9920000 1.245000 
1 1 1    7    5   28 o   4.2450   0.8751   4.1700   1.2180   4.3200   1.2570 -0.1508000 1.750000 
1 1 1    7    5   29 o   7.0580   0.4793   7.6700   0.5812   6.4460   0.7624 1.224000 0.9587000 
1 1 1    7    5   30 o   2.9120   0.7893   2.6600   1.0680   3.1650   1.1620 -0.5049000 1.579000 
1 1 1    7    5   31 o   6.0820   0.5691   5.5270   0.8315   6.6380   0.7773 -1.111000 1.138000 
1 1 1    7    5   32 o   3.3680   0.9737   3.4310   1.3500   3.3050   1.4040 0.1259000 1.947000 
1 1 1    7    7    0 o   57.360   0.3151   57.080   0.4746   57.640   0.4145 -0.5582000 0.6301000 
1 1 1    7    7    1 o   30.320   0.2084   30.710   0.2414   29.930   0.3398 0.7795000 0.4168000 
1 1 1    7    7    2 o   22.480   0.1631   22.200   0.2304   22.770   0.2309 -0.5760000 0.3262000 
1 1 1    7    7    3 o   34.880   0.2428   34.930   0.3091   34.830   0.3747 0.9069000E-01 0.4857000 
1 1 1    7    7    4 o   17.180   0.2283   16.780   0.2758   17.590   0.3640 -0.8148000 0.4567000 
1 1 1    7    7    5 o   28.940   0.2378   29.170   0.3377   28.710   0.3349 0.4627000 0.4756000 
1 1 1    7    7    6 o   11.200   0.1827   11.100   0.2542   11.300   0.2623 -0.1995000 0.3653000 
1 1 1    7    7    7 o   35.840   0.2286   35.680   0.3216   36.000   0.3251 -0.3237000 0.4572000 
1 1 1    7    7    8 o   25.740   0.1874   25.600   0.2650   25.880   0.2649 -0.2798000 0.3747000 
1 1 1    7    7    9 o   26.420   0.1935   26.410   0.2751   26.430   0.2721 -0.1362000E-01 0.3869000 
1 1 1    7    7   10 o   6.7650   0.3180   6.8130   0.4543   6.7170   0.4450 0.9577000E-01 0.6359000 
1 1 1    7    7   11 o   17.290   0.1879   16.980   0.2671   17.610   0.2642 -0.6236000 0.3757000 
1 1 1    7    7   12 o   12.760   0.2422   12.450   0.3080   13.070   0.3737 -0.6187000 0.4843000 
1 1 1    7    7   13 o   32.470   0.2269   32.270   0.3197   32.660   0.3220 -0.3900000 0.4537000 
1 1 1    7    7   14 o   26.940   0.3200   27.510   0.5186   26.380   0.3752 1.133000 0.6401000 
1 1 1    7    7   15 f   12.320   0.3932   12.610   0.6169   12.020   0.4876 0.5870000 0.7863000 
1 1 1    7    7   16 o   25.580   0.2240   25.870   0.3185   25.280   0.3150 0.5908000 0.4480000 
1 1 1    7    7   17 o   19.940   0.2370   19.750   0.3359   20.130   0.3343 -0.3792000 0.4739000 
1 1 1    7    7   18 o   13.600   0.2851   13.720   0.4004   13.490   0.4058 0.2229000 0.5701000 
1 1 1    7    7   19 o   11.910   0.4521   11.690   0.5750   12.130   0.6978 -0.4427000 0.9042000 
1 1 1    7    7   20 o   22.460   0.2605   22.640   0.3310   22.270   0.4023 0.3719000 0.5210000 
1 1 1    7    7   21 o   3.0710   0.7918   3.3740   1.1450   2.7680   1.0940 0.6059000 1.584000 
1 1 1    7    7   22 o   9.4270   0.3337   8.9850   0.4651   9.8700   0.4788 -0.8856000 0.6675000 
1 1 1    7    7   23 o   3.6120   0.7506   3.2230   1.0410   4.0010   1.0820 -0.7775000 1.501000 
1 1 1    7    7   24 o   7.1820   0.4371   7.7180   0.5318   6.6470   0.6939 1.071000 0.8743000 
1 1 1    7    7   25 o   6.3080   0.4828   6.3530   0.6371   6.2640   0.7257 0.8855000E-01 0.9657000 
1 1 1    7    7   26 o   15.100   0.2484   15.310   0.3263   14.890   0.3744 0.4156000 0.4967000 
1 1 1    7    7   27 o   3.2580   0.8607   2.7190   1.1480   3.7970   1.2830 -1.077000 1.721000 
1 1 1    7    7   28 o   2.9940   0.7773   3.1290   1.0830   2.8600   1.1150 0.2689000 1.555000 
1 1 1    7    7   29 o   3.6850   0.7836   3.1750   1.1020   4.1950   1.1150 -1.020000 1.567000 
1 1 1    7    7   30 o   2.2740   0.7122   2.0200   0.9290   2.5280   1.0800 -0.5083000 1.424000 
1 1 1    7    7   31 o   2.5310   0.8360   2.2930   1.0810   2.7690   1.2760 -0.4759000 1.672000 
1 1 1    7    7   32 o   2.6500   0.7466   2.0020   0.9268   3.2970   1.1710 -1.295000 1.493000 
1 1 1    7    9    0 o   18.070   0.1888   18.240   0.2949   17.900   0.2358 0.3425000 0.3776000 
1 1 1    7    9    1 f   16.980   0.1684   16.930   0.2387   17.030   0.2377 -0.9621000E-01 0.3369000 
1 1 1    7    9    2 o   47.810   0.3084   48.500   0.5078   47.130   0.3502 1.378000 0.6169000 
1 1 1    7    9    3 o   26.040   0.1863   25.980   0.2627   26.090   0.2642 -0.1085000 0.3725000 
1 1 1    7    9    4 o   29.080   0.1989   29.250   0.2815   28.910   0.2809 0.3383000 0.3977000 
1 1 1    7    9    5 o   8.9190   0.2330   8.6810   0.3369   9.1570   0.3220 -0.4762000 0.4660000 
1 1 1    7    9    6 o   45.080   0.2768   44.910   0.3900   45.260   0.3928 -0.3507000 0.5535000 
1 1 1    7    9    7 o   27.060   0.1964   26.860   0.2762   27.260   0.2794 -0.4003000 0.3929000 
1 1 1    7    9    8 o   19.550   0.1861   19.360   0.2624   19.750   0.2639 -0.3903000 0.3721000 
1 1 1    7    9    9 o   52.600   0.3190   52.600   0.4509   52.600   0.4514 -0.1217000E-02 0.6380000 
1 1 1    7    9   10 o   26.830   0.2028   27.100   0.2881   26.560   0.2855 0.5457000 0.4056000 
1 1 1    7    9   11 o   22.180   0.1985   22.240   0.2825   22.130   0.2789 0.1100000 0.3969000 
1 1 1    7    9   12 o   43.500   0.2774   43.400   0.3927   43.590   0.3918 -0.1910000 0.5547000 
1 1 1    7    9   13 o   17.180   0.3202   17.540   0.5031   16.810   0.3961 0.7249000 0.6403000 
1 1 1    7    9   14 o   10.230   0.3224   10.220   0.4644   10.240   0.4473 -0.1737000E-01 0.6448000 
1 1 1    7    9   15 o   11.610   0.3099   11.290   0.4510   11.920   0.4250 -0.6236000 0.6197000 
1 1 1    7    9   16 o   18.390   0.2420   18.360   0.3438   18.420   0.3407 -0.6061000E-01 0.4841000 
1 1 1    7    9   17 f   4.0970   0.7700   3.4040   1.1570   4.7900   1.0160 -1.385000 1.540000 
1 1 1    7    9   18 o   24.040   0.3359   24.590   0.4074   23.480   0.5342 1.110000 0.6718000 
1 1 1    7    9   19 o   8.4110   0.5987   8.4290   0.7511   8.3930   0.9326 0.3632000E-01 1.197000 
1 1 1    7    9   20 o   16.840   0.2763   16.340   0.3574   17.340   0.4215 -1.000000 0.5526000 
1 1 1    7    9   21 o   9.0300   0.3808   8.9530   0.5453   9.1080   0.5317 -0.1548000 0.7616000 
1 1 1    7    9   22 o   21.760   0.2357   21.600   0.3367   21.910   0.3299 -0.3068000 0.4714000 
1 1 1    7    9   23 o   5.8610   0.5770   5.4220   0.8827   6.3010   0.7434 -0.8784000 1.154000 
1 1 1    7    9   24 o   2.9580   0.7805   3.1300   1.1240   2.7870   1.0830 0.3427000 1.561000 
1 1 1    7    9   25 o   11.570   0.3125   10.790   0.4622   12.340   0.4208 -1.549000 0.6251000 
1 1 1    7    9   26 o   5.4270   0.7270   5.3170   0.9386   5.5370   1.1110 -0.2202000 1.454000 
1 1 1    7    9   27 o   7.0630   0.4889   6.7440   0.7213   7.3810   0.6601 -0.6364000 0.9777000 
1 1 1    7    9   28 o   2.1700   0.6907   2.0710   0.9377   2.2700   1.0140 -0.1991000 1.381000 
1 1 1    7    9   29 f   7.4220   0.4665   7.3480   0.6369   7.4960   0.6818 -0.1476000 0.9330000 
1 1 1    7    9   30 o   2.8980   0.7931   2.7890   1.0890   3.0080   1.1540 -0.2187000 1.586000 
1 1 1    7    9   31 o   2.3660   0.7841   2.1970   1.0120   2.5340   1.1980 -0.3375000 1.568000 
1 1 1    7   11    0 o   6.0210   0.3084   6.4710   0.3996   5.5720   0.4700 0.8990000 0.6169000 
1 1 1    7   11    1 o   17.410   0.1575   17.380   0.2220   17.440   0.2234 -0.5360000E-01 0.3149000 
1 1 1    7   11    2 o   35.220   0.2001   35.160   0.2822   35.270   0.2838 -0.1077000 0.4002000 
1 1 1    7   11    3 f   13.070   0.1893   12.800   0.2873   13.340   0.2466 -0.5422000 0.3786000 
1 1 1    7   11    4 o   19.100   0.1734   19.070   0.2603   19.130   0.2290 -0.6308000E-01 0.3467000 
1 1 1    7   11    5 o   30.130   0.2120   30.300   0.3010   29.960   0.2985 0.3390000 0.4239000 
1 1 1    7   11    6 o   7.8250   0.2974   7.4850   0.4304   8.1660   0.4106 -0.6804000 0.5948000 
1 1 1    7   11    7 o   26.780   0.2031   27.160   0.2892   26.390   0.2853 0.7654000 0.4063000 
1 1 1    7   11    8 o   25.860   0.2031   25.980   0.2869   25.730   0.2874 0.2418000 0.4061000 
1 1 1    7   11    9 o   23.850   0.2285   24.470   0.2897   23.220   0.3534 1.250000 0.4569000 
1 1 1    7   11   10 o   6.9920   0.4014   7.3380   0.5242   6.6450   0.6081 0.6931000 0.8029000 
1 1 1    7   11   11 f   66.730   0.5992   66.620   0.9774   66.840   0.6933 -0.2158000 1.198000 
1 1 1    7   11   12 o   31.720   0.3471   31.560   0.5598   31.890   0.4104 -0.3290000 0.6941000 
1 1 1    7   11   13 f   23.660   0.2213   23.910   0.3143   23.400   0.3115 0.5105000 0.4425000 
1 1 1    7   11   14 o   20.860   0.2307   21.010   0.3284   20.710   0.3242 0.3028000 0.4614000 
1 1 1    7   11   15 o   12.660   0.2965   12.550   0.4189   12.770   0.4199 -0.2282000 0.5931000 
1 1 1    7   11   16 o   8.7670   0.4041   8.7900   0.5741   8.7440   0.5689 0.4653000E-01 0.8083000 
1 1 1    7   11   17 o   11.430   0.4627   10.510   0.6536   12.350   0.6552 -1.838000 0.9255000 
1 1 1    7   11   18 o   13.790   0.2859   14.040   0.4041   13.530   0.4046 0.5139000 0.5719000 
1 1 1    7   11   19 o   12.710   0.2977   12.290   0.4372   13.120   0.4041 -0.8340000 0.5953000 
1 1 1    7   11   20 o   3.9740   0.7703   3.8320   1.1120   4.1170   1.0670 -0.2850000 1.541000 
1 1 1    7   11   21 o   13.550   0.2825   13.930   0.3978   13.170   0.4011 0.7587000 0.5649000 
1 1 1    7   11   22 o   10.330   0.3372   9.7300   0.5005   10.930   0.4522 -1.202000 0.6745000 
1 1 1    7   11   23 o   4.0780   0.7394   3.5280   1.1190   4.6280   0.9663 -1.100000 1.479000 
1 1 1    7   11   24 o   3.2670   0.7737   3.7140   1.0910   2.8200   1.0970 0.8936000 1.547000 
1 1 1    7   11   25 o   5.5050   0.6307   4.7050   1.0080   6.3060   0.7584 -1.601000 1.261000 
1 1 1    7   11   26 o   2.8940   0.8828   2.8590   1.2820   2.9290   1.2140 -0.6963000E-01 1.766000 
1 1 1    7   11   27 o   3.3900   0.8160   3.1600   1.1630   3.6190   1.1450 -0.4583000 1.632000 
1 1 1    7   11   28 o   2.6820   0.7828   2.6730   1.1070   2.6920   1.1070 -0.1903000E-01 1.566000 
1 1 1    7   11   29 o   2.7210   0.7729   2.9240   1.1020   2.5190   1.0840 0.4046000 1.546000 
1 1 1    7   11   30 o   2.1980   0.7416   2.5790   1.1670   1.8170   0.9155 0.7614000 1.483000 
1 1 1    7   13    0 o   50.100   0.2665   49.900   0.3757   50.310   0.3780 -0.4056000 0.5329000 
1 1 1    7   13    1 o   13.510   0.1894   13.480   0.2670   13.530   0.2688 -0.5502000E-01 0.3789000 
1 1 1    7   13    2 o   41.400   0.2293   41.000   0.3213   41.810   0.3274 -0.8115000 0.4587000 
1 1 1    7   13    3 o   16.470   0.1924   16.590   0.2898   16.340   0.2532 0.2488000 0.3848000 
1 1 1    7   13    4 o   51.620   0.2962   51.520   0.4470   51.710   0.3888 -0.1914000 0.5924000 
1 1 1    7   13    5 o   2.6830   0.6123   3.6410   0.9370   1.7260   0.7883 1.915000 1.225000 
1 1 1    7   13    6 o   14.540   0.2068   14.520   0.3131   14.570   0.2703 -0.4187000E-01 0.4137000 
1 1 1    7   13    7 o   3.5110   0.7021   3.9310   0.9440   3.0900   1.0390 0.8408000 1.404000 
1 1 1    7   13    8 o   41.700   0.3016   41.810   0.4662   41.600   0.3830 0.2078000 0.6033000 
1 1 1    7   13    9 o   22.010   0.3163   21.980   0.5028   22.030   0.3840 -0.5393000E-01 0.6327000 
1 1 1    7   13   10 o   48.710   0.3789   49.350   0.5420   48.070   0.5296 1.273000 0.7578000 
1 1 1    7   13   11 o   30.880   0.2370   30.890   0.3350   30.880   0.3354 0.8430000E-02 0.4741000 
1 1 1    7   13   12 o   12.850   0.2916   12.410   0.4161   13.290   0.4088 -0.8841000 0.5833000 
1 1 1    7   13   13 o   29.240   0.2385   28.930   0.3369   29.550   0.3376 -0.6154000 0.4769000 
1 1 1    7   13   14 o   7.2130   0.4743   7.2250   0.6645   7.2000   0.6771 0.2479000E-01 0.9487000 
1 1 1    7   13   15 o   16.970   0.2755   17.450   0.3525   16.500   0.4236 0.9499000 0.5511000 
1 1 1    7   13   16 o   14.580   0.6057  ?   ?    14.580   0.6057      ?      ? 
1 1 1    7   13   17 f   11.910   0.3096   11.210   0.4530   12.610   0.4220 -1.402000 0.6191000 
1 1 1    7   13   18 o   10.180   0.3447   10.180   0.4806   10.170   0.4941 0.2066000E-02 0.6893000 
1 1 1    7   13   19 o   10.390   0.3335   10.340   0.4678   10.450   0.4754 -0.1157000 0.6670000 
1 1 1    7   13   20 o   2.9410   0.7858   2.8610   1.1120   3.0210   1.1100 -0.1604000 1.572000 
1 1 1    7   13   21 o   3.0780   0.7838   2.7900   1.1070   3.3660   1.1100 -0.5762000 1.568000 
1 1 1    7   13   22 o   7.0730   0.4583   6.9990   0.6698   7.1480   0.6256 -0.1490000 0.9165000 
1 1 1    7   13   23 o   12.430   0.3023   12.310   0.4380   12.550   0.4168 -0.2382000 0.6046000 
1 1 1    7   13   24 o   2.8000   0.8434   2.7350   1.1850   2.8640   1.2000 -0.1292000 1.687000 
1 1 1    7   13   25 o   5.9930   0.8152   6.1920   1.2420   5.7940   1.0570 0.3976000 1.630000 
1 1 1    7   13   26 o   2.7820   0.7928   2.7550   1.1160   2.8090   1.1270 -0.5419000E-01 1.586000 
1 1 1    7   13   27 f   6.8250   0.5353   7.0600   0.7202   6.5900   0.7922 0.4700000 1.071000 
1 1 1    7   13   28 f   4.7490   0.7601   5.1110   1.0270   4.3870   1.1210 0.7248000 1.520000 
1 1 1    7   13   29 o   2.6040   1.2090  ?   ?    2.6040   1.2090      ?      ? 
1 1 1    7   13   30 o   2.1470   0.7286   2.2560   1.0740   2.0380   0.9850 0.2184000 1.457000 
1 1 1    7   15    0 o   31.610   0.1986   31.650   0.2806   31.570   0.2811 0.7987000E-01 0.3972000 
1 1 1    7   15    1 o   44.780   0.2848   44.940   0.4034   44.620   0.4021 0.3166000 0.5696000 
1 1 1    7   15    2 o   23.210   0.2091   23.260   0.2962   23.160   0.2952 0.1035000 0.4182000 
1 1 1    7   15    3 o   23.640   0.2089   23.570   0.2945   23.710   0.2963 -0.1338000 0.4178000 
1 1 1    7   15    4 o   50.790   0.3520   50.930   0.5454   50.660   0.4452 0.2741000 0.7040000 
1 1 1    7   15    5 o   4.8630   0.7561   6.8730   0.9950   2.8520   1.1390 4.021000 1.512000 
1 1 1    7   15    6 o   14.480   0.2822   14.840   0.4194   14.110   0.3777 0.7363000 0.5644000 
1 1 1    7   15    7 o   19.080   0.2597   19.150   0.3972   19.010   0.3345 0.1354000 0.5193000 
1 1 1    7   15    8 o   17.400   0.2339   17.480   0.3318   17.320   0.3297 0.1579000 0.4678000 
1 1 1    7   15    9 o   18.140   0.2415   18.050   0.3388   18.240   0.3443 -0.1917000 0.4830000 
1 1 1    7   15   10 o   32.670   0.2466   32.750   0.3478   32.590   0.3497 0.1536000 0.4932000 
1 1 1    7   15   11 o   4.7700   0.7344   4.5260   1.0680   5.0130   1.0080 -0.4871000 1.469000 
1 1 1    7   15   12 o   27.890   0.2383   28.030   0.3342   27.760   0.3398 0.2715000 0.4766000 
1 1 1    7   15   13 o   22.090   0.4242   22.090   0.4242  ?   ?       ?      ? 
1 1 1    7   15   14 o   4.6810   0.9126   5.3940   1.1650   3.9680   1.4050 1.426000 1.825000 
1 1 1    7   15   15 o   21.740   0.2374   21.730   0.3340   21.750   0.3373 -0.1893000E-01 0.4747000 
1 1 1    7   15   16 o   6.3070   0.5430   6.5530   0.7112   6.0600   0.8207 0.4923000 1.086000 
1 1 1    7   15   17 f   8.3660   0.4045   8.0560   0.5778   8.6770   0.5663 -0.6212000 0.8090000 
1 1 1    7   15   18 o   4.6200   0.7123   4.8300   0.9955   4.4090   1.0190 0.4209000 1.425000 
1 1 1    7   15   19 o   4.2680   0.7341   4.8150   0.9805   3.7200   1.0930 1.095000 1.468000 
1 1 1    7   15   20 o   3.2020   0.7891   2.9830   1.1130   3.4210   1.1190 -0.4380000 1.578000 
1 1 1    7   15   21 o   2.4810   0.7385   2.6020   1.0710   2.3600   1.0180 0.2423000 1.477000 
1 1 1    7   15   22 f   4.2620   0.6738   5.8550   0.8124   2.6700   1.0750 3.185000 1.348000 
1 1 1    7   15   23 f   6.0990   0.8414   4.4520   1.4800   7.7450   0.8003 -3.293000 1.683000 
1 1 1    7   15   24 o   3.0770   0.7849   2.4920   1.0860   3.6620   1.1330 -1.170000 1.570000 
1 1 1    7   15   25 o   2.1330   0.6837   2.5180   1.0710   1.7480   0.8501 0.7700000 1.367000 
1 1 1    7   15   26 o   2.3870   0.7382   2.3990   1.0480   2.3750   1.0400 0.2435000E-01 1.476000 
1 1 1    7   15   27 o   4.4670   0.7887   4.9140   1.0810   4.0200   1.1490 0.8946000 1.577000 
1 1 1    7   15   28 o   2.3130   0.7804   2.4920   1.1580   2.1330   1.0460 0.3593000 1.561000 
1 1 1    7   15   29 o   2.1730   1.0560   2.1730   1.0560  ?   ?       ?      ? 
1 1 1    7   17    0 o   6.5320   0.4970   6.1320   0.7419   6.9320   0.6616 -0.8004000 0.9940000 
1 1 1    7   17    1 o   11.210   0.2655   11.720   0.3630   10.710   0.3874 1.012000 0.5309000 
1 1 1    7   17    2 o   19.200   0.2161   19.360   0.2842   19.040   0.3257 0.3143000 0.4322000 
1 1 1    7   17    3 o   31.120   0.2078   31.150   0.2935   31.090   0.2944 0.5726000E-01 0.4157000 
1 1 1    7   17    4 o   16.090   0.2392   16.410   0.3575   15.780   0.3180 0.6338000 0.4785000 
1 1 1    7   17    5 f   6.3660   0.4912   6.7610   0.6957   5.9720   0.6937 0.7890000 0.9824000 
1 1 1    7   17    6 o   21.550   0.2184   21.520   0.3273   21.590   0.2892 -0.6757000E-01 0.4367000 
1 1 1    7   17    7 o   20.790   0.2181   20.730   0.3276   20.850   0.2879 -0.1135000 0.4361000 
1 1 1    7   17    8 o   14.030   0.2594   14.200   0.3844   13.870   0.3484 0.3364000 0.5188000 
1 1 1    7   17    9 o   29.820   0.2258   29.290   0.3375   30.350   0.3000 -1.063000 0.4515000 
1 1 1    7   17   10 o   13.040   0.3114   12.630   0.4094   13.440   0.4693 -0.8068000 0.6228000 
1 1 1    7   17   11 o   13.000   0.4186   13.250   0.5201   12.750   0.6562 0.5057000 0.8373000 
1 1 1    7   17   12 o   33.240   0.3138   32.670   0.4474   33.810   0.4401 -1.138000 0.6275000 
1 1 1    7   17   13 f   5.4480   0.6391   5.5210   0.8614   5.3750   0.9443 0.1462000 1.278000 
1 1 1    7   17   14 o   15.630   0.2693   15.280   0.3850   15.980   0.3766 -0.7054000 0.5386000 
1 1 1    7   17   15 f   17.340   0.2551   17.510   0.3583   17.180   0.3632 0.3371000 0.5102000 
1 1 1    7   17   16 o   3.8060   0.7684   4.3370   1.0460   3.2760   1.1260 1.060000 1.537000 
1 1 1    7   17   17 o   3.7040   0.7930   3.8200   1.1140   3.5890   1.1290 0.2308000 1.586000 
1 1 1    7   17   18 o   2.3810   0.7472   2.5210   1.1140   2.2400   0.9964 0.2806000 1.494000 
1 1 1    7   17   19 o   3.8070   0.7764   4.2810   1.0650   3.3340   1.1310 0.9467000 1.553000 
1 1 1    7   17   20 o   3.9800   0.7673   3.9220   1.1120   4.0380   1.0580 -0.1162000 1.535000 
1 1 1    7   17   21 o   3.6940   0.8807   3.6070   1.1720   3.7820   1.3140 -0.1750000 1.761000 
1 1 1    7   17   22 o   2.5830   0.8250   2.5110   1.1720   2.6550   1.1610 -0.1442000 1.650000 
1 1 1    7   17   23 o   6.3160   0.5479   6.1720   0.7939   6.4610   0.7553 -0.2889000 1.096000 
1 1 1    7   17   24 o   5.3430   0.6676   4.9720   0.9955   5.7140   0.8900 -0.7420000 1.335000 
1 1 1    7   17   25 f   5.9230   0.6329   6.4990   0.8127   5.3470   0.9704 1.152000 1.266000 
1 1 1    7   17   26 o   3.0400   0.8640   2.5230   1.1540   3.5570   1.2860 -1.034000 1.728000 
1 1 1    7   17   27 o   2.1770   0.7180   1.8750   0.8999   2.4790   1.1190 -0.6033000 1.436000 
1 1 1    7   19    0 o   3.5630   0.7287   4.1700   0.9906   2.9560   1.0690 1.214000 1.457000 
1 1 1    7   19    1 o   15.870   0.2257   15.910   0.3175   15.830   0.3208 0.7728000E-01 0.4514000 
1 1 1    7   19    2 o   28.120   0.2070   28.280   0.2923   27.970   0.2932 0.3077000 0.4140000 
1 1 1    7   19    3 o   28.390   0.2074   27.980   0.2915   28.810   0.2950 -0.8312000 0.4147000 
1 1 1    7   19    4 f   17.090   0.2514   17.310   0.3579   16.870   0.3532 0.4415000 0.5029000 
1 1 1    7   19    5 o   20.620   0.2377   20.960   0.3389   20.270   0.3334 0.6815000 0.4754000 
1 1 1    7   19    6 o   17.240   0.3252   18.190   0.4480   16.280   0.4715 1.906000 0.6504000 
1 1 1    7   19    7 o   20.790   0.2911   20.200   0.4215   21.380   0.4015 -1.178000 0.5821000 
1 1 1    7   19    8 o   12.550   0.3468   12.040   0.5521   13.050   0.4198 -1.004000 0.6936000 
1 1 1    7   19    9 o   18.380   0.2308   18.340   0.3487   18.420   0.3024 -0.7282000E-01 0.4616000 
1 1 1    7   19   10 o   12.570   0.2832   12.530   0.4248   12.600   0.3746 -0.7314000E-01 0.5664000 
1 1 1    7   19   11 o   5.8370   0.5577   6.0420   0.8187   5.6320   0.7575 0.4095000 1.115000 
1 1 1    7   19   12 o   3.3200   0.7831   3.9340   1.1190   2.7060   1.0950 1.228000 1.566000 
1 1 1    7   19   13 o   2.5200   0.7380   2.9430   1.1170   2.0970   0.9643 0.8457000 1.476000 
1 1 1    7   19   14 o   4.5470   0.7332   3.7670   1.1220   5.3280   0.9445 -1.561000 1.466000 
1 1 1    7   19   15 o   11.940   0.3168   12.090   0.4368   11.790   0.4590 0.3009000 0.6336000 
1 1 1    7   19   16 o   5.3930   0.6344   5.6150   0.8410   5.1720   0.9500 0.4435000 1.269000 
1 1 1    7   19   17 o   9.5500   0.3657   9.5330   0.5256   9.5670   0.5085 -0.3358000E-01 0.7313000 
1 1 1    7   19   18 o   7.7330   0.4395   8.6060   0.5622   6.8600   0.6756 1.746000 0.8789000 
1 1 1    7   19   19 o   5.6000   0.6101   6.1710   0.7556   5.0290   0.9580 1.142000 1.220000 
1 1 1    7   19   20 o   6.6810   0.7599   6.2510   1.2290   7.1110   0.8936 -0.8596000 1.520000 
1 1 1    7   19   21 o   2.4030   0.7290   2.1790   0.9841   2.6270   1.0760 -0.4479000 1.458000 
1 1 1    7   19   22 o   3.5500   0.8005   4.2260   1.1440   2.8750   1.1200 1.352000 1.601000 
1 1 1    7   19   23 o   4.6460   0.7476   5.0800   0.9868   4.2120   1.1230 0.8684000 1.495000 
1 1 1    7   19   24 o   6.0820   0.6144   6.2710   0.8572   5.8930   0.8805 0.3783000 1.229000 
1 1 1    7   19   25 o   2.1240   0.7307   1.8070   0.9003   2.4420   1.1510 -0.6358000 1.461000 
1 1 1    7   19   26 o   2.3840   0.7148   3.0770   1.1640   1.6910   0.8296 1.386000 1.430000 
1 1 1    7   21    0 o   15.870   0.2682   15.890   0.3827   15.850   0.3759 0.3549000E-01 0.5364000 
1 1 1    7   21    1 o   9.4070   0.3812   9.3440   0.5470   9.4700   0.5312 -0.1264000 0.7624000 
1 1 1    7   21    2 o   12.290   0.2912   12.790   0.3708   11.790   0.4490 0.9962000 0.5823000 
1 1 1    7   21    3 o   15.210   0.2362   15.430   0.3316   15.000   0.3366 0.4316000 0.4725000 
1 1 1    7   21    4 o   14.450   0.2581   14.800   0.3841   14.100   0.3450 0.6953000 0.5163000 
1 1 1    7   21    5 o   15.460   0.2516   15.640   0.3831   15.280   0.3263 0.3628000 0.5032000 
1 1 1    7   21    6 o   13.750   0.2758   13.300   0.4298   14.200   0.3457 -0.8997000 0.5516000 
1 1 1    7   21    7 o   3.9500   0.7485   4.0660   1.0930   3.8330   1.0230 0.2329000 1.497000 
1 1 1    7   21    8 o   7.4210   0.4266   8.0110   0.6002   6.8310   0.6064 1.180000 0.8532000 
1 1 1    7   21    9 o   15.500   0.2508   15.260   0.3813   15.740   0.3260 -0.4797000 0.5017000 
1 1 1    7   21   10 o   2.3680   0.7005   2.1190   0.9658   2.6180   1.0150 -0.4983000 1.401000 
1 1 1    7   21   11 o   7.4300   0.4261   7.6780   0.6306   7.1820   0.5731 0.4968000 0.8521000 
1 1 1    7   21   12 o   3.0880   0.7503   3.6250   1.1030   2.5520   1.0180 1.073000 1.501000 
1 1 1    7   21   13 o   4.7450   0.6539   5.0690   0.9337   4.4210   0.9159 0.6472000 1.308000 
1 1 1    7   21   14 o   5.9890   0.5564   6.4890   0.7184   5.4890   0.8498 1.001000 1.113000 
1 1 1    7   21   15 o   2.7060   0.7568   2.2000   0.9891   3.2110   1.1460 -1.011000 1.514000 
1 1 1    7   21   16 o   8.4580   0.4080   8.4350   0.5792   8.4810   0.5748 -0.4655000E-01 0.8160000 
1 1 1    7   21   17 o   4.5620   0.9939   4.7820   1.4110   4.3420   1.4000 0.4395000 1.988000 
1 1 1    7   21   18 o   6.5090   0.7990   7.0230   1.1190   5.9940   1.1410 1.030000 1.598000 
1 1 1    7   21   19 o   8.4490   0.4281   8.1480   0.6258   8.7490   0.5844 -0.6009000 0.8562000 
1 1 1    7   21   20 o   6.5750   0.5562   5.9980   0.8548   7.1520   0.7120 -1.154000 1.112000 
1 1 1    7   21   21 o   7.6600   0.4834   7.3330   0.7006   7.9880   0.6662 -0.6555000 0.9667000 
1 1 1    7   21   22 o   2.5640   0.7733   2.7060   1.1210   2.4220   1.0660 0.2844000 1.547000 
1 1 1    7   21   23 o   2.7180   0.8723   2.8030   1.2430   2.6340   1.2240 0.1691000 1.745000 
1 1 1    7   21   24 o   2.8900   0.8146   3.0010   1.1740   2.7800   1.1290 0.2207000 1.629000 
1 1 1    7   23    0 o   9.7910   0.3190   10.350   0.4299   9.2370   0.4715 1.109000 0.6381000 
1 1 1    7   23    1 o   7.5590   0.3918   7.6070   0.5506   7.5100   0.5576 0.9712000E-01 0.7837000 
1 1 1    7   23    2 f   5.5040   0.5562   4.7560   0.8975   6.2520   0.6571 -1.497000 1.112000 
1 1 1    7   23    3 o   6.8640   0.4313   6.5830   0.6349   7.1440   0.5841 -0.5610000 0.8626000 
1 1 1    7   23    4 o   9.9080   0.3350   9.9380   0.5083   9.8780   0.4366 0.6029000E-01 0.6701000 
1 1 1    7   23    5 o   12.330   0.2928   12.210   0.4546   12.440   0.3692 -0.2301000 0.5856000 
1 1 1    7   23    6 o   6.0590   0.5404   7.0570   0.7090   5.0600   0.8157 1.996000 1.081000 
1 1 1    7   23    7 o   12.680   0.2797   12.550   0.4270   12.820   0.3614 -0.2689000 0.5594000 
1 1 1    7   23    8 o   2.3160   0.6988   2.7420   1.0900   1.8900   0.8751 0.8521000 1.398000 
1 1 1    7   23    9 o   3.3020   0.7804   3.2460   1.1550   3.3580   1.0500 -0.1121000 1.561000 
1 1 1    7   23   10 o   2.0370   0.6550   2.2540   0.9953   1.8200   0.8516 0.4345000 1.310000 
1 1 1    7   23   11 o   6.4260   0.4753   6.6450   0.7112   6.2070   0.6306 0.4381000 0.9505000 
1 1 1    7   23   12 o   2.7430   0.7336   2.4490   1.0360   3.0370   1.0390 -0.5885000 1.467000 
1 1 1    7   23   13 o   4.4260   0.6881   4.4230   1.0330   4.4300   0.9097 -0.6588000E-02 1.376000 
1 1 1    7   23   14 o   2.6970   0.8084   2.0100   0.9854   3.3830   1.2820 -1.374000 1.617000 
1 1 1    7   23   15 o   3.0460   0.8693   2.4680   1.1450   3.6240   1.3080 -1.156000 1.739000 
1 1 1    7   23   16 o   3.1050   0.7983   3.4770   1.1410   2.7320   1.1170 0.7449000 1.597000 
1 1 1    7   23   17 o   7.0140   0.5347   6.5150   0.7820   7.5130   0.7295 -0.9974000 1.069000 
1 1 1    7   23   18 o   2.4650   0.7562   2.5490   1.0810   2.3800   1.0580 0.1690000 1.512000 
1 1 1    7   23   19 o   2.6260   0.7677   3.0820   1.1670   2.1710   0.9974 0.9111000 1.535000 
1 1 1    7   23   20 o   3.1180   0.8379   3.1290   1.1760   3.1060   1.1930 0.2375000E-01 1.676000 
1 1 1    7   23   21 o   3.7130   1.0020   3.9240   1.3890   3.5020   1.4430 0.4221000 2.003000 
1 1 1    7   23   22 o   1.7000   0.5917   1.7470   0.8537   1.6520   0.8194 0.9497000E-01 1.183000 
1 1 1    7   25    0 o   6.4660   0.4702   5.4790   0.7583   7.4540   0.5561 -1.975000 0.9403000 
1 1 1    7   25    1 o   9.9130   0.3110   9.9920   0.4317   9.8340   0.4478 0.1584000 0.6220000 
1 1 1    7   25    2 o   14.680   0.2418   14.760   0.3386   14.590   0.3452 0.1680000 0.4835000 
1 1 1    7   25    3 o   6.9940   0.4306   6.6960   0.6281   7.2920   0.5890 -0.5967000 0.8611000 
1 1 1    7   25    4 o   6.6960   0.5933   5.7530   1.0470   7.6400   0.5591 -1.887000 1.187000 
1 1 1    7   25    5 o   2.9720   0.7564   2.5160   1.0760   3.4290   1.0630 -0.9130000 1.513000 
1 1 1    7   25    6 o   9.3660   0.3604   9.5000   0.5481   9.2320   0.4680 0.2686000 0.7207000 
1 1 1    7   25    7 f   12.760   0.2861   12.880   0.4358   12.630   0.3707 0.2535000 0.5721000 
1 1 1    7   25    8 o   9.1490   0.3581   9.1550   0.5360   9.1420   0.4750 0.1239000E-01 0.7162000 
1 1 1    7   25    9 o   5.9320   0.5997   6.5770   0.8265   5.2880   0.8692 1.289000 1.199000 
1 1 1    7   25   10 o   3.9630   0.9678   4.2180   1.4360   3.7080   1.2980 0.5098000 1.936000 
1 1 1    7   25   11 o   3.0980   0.9036   3.5570   1.3860   2.6400   1.1600 0.9166000 1.807000 
1 1 1    7   25   12 o   2.3650   0.7087   2.0420   0.9454   2.6870   1.0560 -0.6441000 1.417000 
1 1 1    7   25   13 o   7.8470   0.4312   7.5200   0.6641   8.1740   0.5503 -0.6541000 0.8625000 
1 1 1    7   25   14 o   10.900   0.3345   10.660   0.5046   11.140   0.4392 -0.4738000 0.6690000 
1 1 1    7   25   15 o   7.2100   0.4830   6.6060   0.7697   7.8130   0.5836 -1.207000 0.9659000 
1 1 1    7   25   16 o   3.4340   0.7984   3.2070   1.1690   3.6600   1.0880 -0.4523000 1.597000 
1 1 1    7   25   17 o   2.1530   0.6883   2.5380   1.0810   1.7680   0.8520 0.7695000 1.377000 
1 1 1    7   25   18 o   2.8550   0.8925   2.8990   1.2560   2.8100   1.2680 0.8925000E-01 1.785000 
1 1 1    7   25   19 o   4.6030   0.8419   4.4810   1.1440   4.7250   1.2360 -0.2435000 1.684000 
1 1 1    7   27    0 o   5.6040   0.6110   5.7670   0.8367   5.4410   0.8906 0.3268000 1.222000 
1 1 1    7   27    1 o   3.7240   0.7001   2.2380   1.0350   5.2100   0.9428 -2.972000 1.400000 
1 1 1    7   27    2 o   11.020   0.4211   10.610   0.5916   11.440   0.5996 -0.8225000 0.8423000 
1 1 1    7   27    3 o   4.1890   0.7697   4.7860   1.0070   3.5910   1.1640 1.195000 1.539000 
1 1 1    7   27    4 o   3.8500   0.7864   5.1020   1.1370   2.5980   1.0870 2.504000 1.573000 
1 1 1    7   27    5 o   3.3060   0.7986   2.6420   1.1420   3.9710   1.1170 -1.330000 1.597000 
1 1 1    7   27    6 o   2.4880   0.7351   1.9000   0.9220   3.0760   1.1450 -1.176000 1.470000 
1 1 1    7   27    7 o   2.6910   0.7400   2.2860   1.0190   3.0950   1.0730 -0.8090000 1.480000 
1 1 1    7   27    8 o   3.7280   0.7743   3.5850   1.1540   3.8710   1.0330 -0.2857000 1.549000 
1 1 1    7   27    9 f   3.2760   0.7743   2.8830   1.1150   3.6680   1.0740 -0.7856000 1.549000 
1 1 1    7   27   10 o   3.2360   0.7942   3.5370   1.1590   2.9350   1.0860 0.6017000 1.588000 
1 1 1    7   27   11 o   6.8000   0.4940   7.4940   0.6718   6.1050   0.7245 1.389000 0.9881000 
1 1 1    7   27   12 o   3.3190   0.7961   3.6130   1.1610   3.0240   1.0900 0.5885000 1.592000 
1 1 1    7   27   13 o   4.5770   0.7215   5.3810   0.9655   3.7730   1.0730 1.608000 1.443000 
1 1 1    7   27   14 f   2.8780   0.8037   2.6550   1.1120   3.1010   1.1610 -0.4459000 1.607000 
1 1 1    7   27   15 o   2.4210   0.7872   2.3250   1.0940   2.5170   1.1330 -0.1925000 1.574000 
1 1 1    7   27   16 o   2.3780   0.7295   2.2250   1.0090   2.5300   1.0540 -0.3045000 1.459000 
1 1 1    7   29    0 o   2.4420   0.7081   2.0940   0.9430   2.7900   1.0570 -0.6957000 1.416000 
1 1 1    7   29    1 o   3.1180   0.7688   2.9940   1.0870   3.2420   1.0880 -0.2486000 1.538000 
1 1 1    7   29    2 o   4.7710   0.6648   4.6640   0.9601   4.8780   0.9199 -0.2144000 1.330000 
1 1 1    7   29    3 o   2.8350   0.7478   2.4620   1.0230   3.2070   1.0910 -0.7448000 1.496000 
1 1 1    7   29    4 o   2.5430   0.7453   2.4230   1.0510   2.6640   1.0570 -0.2410000 1.491000 
1 1 1    7   29    5 o   5.1460   0.6953   3.7550   1.2150   6.5380   0.6763 -2.783000 1.391000 
1 1 1    7   29    6 o   4.8680   0.7142   4.7240   1.1160   5.0110   0.8913 -0.2868000 1.428000 
1 1 1    7   29    7 o   3.2250   0.7876   3.8380   1.1770   2.6130   1.0460 1.225000 1.575000 
1 1 1    7   29    8 o   2.3620   0.7356   2.3470   1.0420   2.3770   1.0390 -0.3040000E-01 1.471000 
1 1 1    7   29    9 o   2.4900   0.7116   3.3580   1.1760   1.6230   0.8015 1.735000 1.423000 
1 1 1    7   29   10 o   2.5670   0.8130   2.4120   1.1220   2.7210   1.1770 -0.3098000 1.626000 
1 1 1    7   29   11 o   4.2170   0.8586   3.7030   1.3070   4.7320   1.1140 -1.029000 1.717000 
1 1 1    7   29   12 o   4.7160   0.9055   4.1660   1.3530   5.2660   1.2040 -1.100000 1.811000 
1 1 1    7   31    0 o   2.4510   0.7456   2.9610   1.1720   1.9410   0.9222 1.020000 1.491000 
1 1 1    7   31    1 o   2.7320   0.7556   1.9490   0.9321   3.5150   1.1890 -1.566000 1.511000 
1 1 1    7   31    2 o   2.8920   0.7959   2.3230   1.0460   3.4610   1.2000 -1.138000 1.592000 
1 1 1    7   31    3 f   2.9280   0.8182   3.2490   1.2050   2.6060   1.1070 0.6434000 1.636000 
1 1 1    7   31    4 o   3.2310   1.2860  ?   ?    3.2310   1.2860      ?      ? 
1 1 1    8    0    0 o   28.080   0.2849   28.080   0.2849   28.080   0.2849 0.000000 0.000000 
1 1 1    8    0    1 o   20.660   0.2207   20.660   0.2207   20.660   0.2207 0.000000 0.000000 
1 1 1    8    0    2 o   46.470   0.3809   46.470   0.3809   46.470   0.3809 0.000000 0.000000 
1 1 1    8    0    3 o   13.520   0.1885   13.520   0.1885   13.520   0.1885 0.000000 0.000000 
1 1 1    8    0    4 o   27.560   0.2089   27.560   0.2089   27.560   0.2089 0.000000 0.000000 
1 1 1    8    0    5 o  135.800   0.9530  135.800   0.9530  135.800   0.9530 0.000000 0.000000 
1 1 1    8    0    6 o   54.930   0.3929   54.930   0.3929   54.930   0.3929 0.000000 0.000000 
1 1 1    8    0    7 o   12.690   0.1759   12.690   0.1759   12.690   0.1759 0.000000 0.000000 
1 1 1    8    0    8 o   19.510   0.2652   19.510   0.2652   19.510   0.2652 0.000000 0.000000 
1 1 1    8    0    9 o   20.090   0.1943   20.090   0.1943   20.090   0.1943 0.000000 0.000000 
1 1 1    8    0   10 o   7.3420   0.2933   7.3420   0.2933   7.3420   0.2933 0.000000 0.000000 
1 1 1    8    0   11 o   23.400   0.2156   23.400   0.2156   23.400   0.2156 0.000000 0.000000 
1 1 1    8    0   12 o   3.8960   0.6667   3.8960   0.6667   3.8960   0.6667 0.000000 0.000000 
1 1 1    8    0   13 o   49.700   0.3684   49.700   0.3684   49.700   0.3684 0.000000 0.000000 
1 1 1    8    0   14 o   23.940   0.2352   23.940   0.2352   23.940   0.2352 0.000000 0.000000 
1 1 1    8    0   15 o   7.3350   0.4612   7.3350   0.4612   7.3350   0.4612 0.000000 0.000000 
1 1 1    8    0   16 o   24.210   0.3640   24.210   0.3640   24.210   0.3640 0.000000 0.000000 
1 1 1    8    0   17 o   13.970   0.3151   13.970   0.3151   13.970   0.3151 0.000000 0.000000 
1 1 1    8    0   18 o   10.620   0.4144   10.620   0.4144   10.620   0.4144 0.000000 0.000000 
1 1 1    8    0   19 o   15.060   0.3284   15.060   0.3284   15.060   0.3284 0.000000 0.000000 
1 1 1    8    0   20 o   17.750   0.2970   17.750   0.2970   17.750   0.2970 0.000000 0.000000 
1 1 1    8    0   21 o   2.3080   1.4970   2.3080   1.4970   2.3080   1.4970 0.000000 0.000000 
1 1 1    8    0   22 f   8.6380   0.5622   8.6380   0.5622   8.6380   0.5622 0.000000 0.000000 
1 1 1    8    0   23 o   12.870   0.4127   12.870   0.4127   12.870   0.4127 0.000000 0.000000 
1 1 1    8    0   24 o   22.620   0.3328   22.620   0.3328   22.620   0.3328 0.000000 0.000000 
1 1 1    8    0   25 o   8.2940   0.6011   8.2940   0.6011   8.2940   0.6011 0.000000 0.000000 
1 1 1    8    0   26 o   6.0660   0.8109   6.0660   0.8109   6.0660   0.8109 0.000000 0.000000 
1 1 1    8    0   27 o   3.2050   1.3660   3.2050   1.3660   3.2050   1.3660 0.000000 0.000000 
1 1 1    8    0   28 o   1.6410   1.1070   1.6410   1.1070   1.6410   1.1070 0.000000 0.000000 
1 1 1    8    0   29 o   2.3420   1.3060   2.3420   1.3060   2.3420   1.3060 0.000000 0.000000 
1 1 1    8    0   30 o   1.2820   0.9056   1.2820   0.9056   1.2820   0.9056 0.000000 0.000000 
1 1 1    8    0   31 o   3.6850   1.3910   3.6850   1.3910   3.6850   1.3910 0.000000 0.000000 
1 1 1    8    0   32 o   4.0690   1.9670   4.0690   1.9670   4.0690   1.9670 0.000000 0.000000 
1 1 1    8    2    0 o   42.190   0.2448   42.200   0.3464   42.190   0.3461 0.7038000E-02 0.4896000 
1 1 1    8    2    1 o   20.050   0.1274   19.940   0.1798   20.160   0.1804 -0.2232000 0.2547000 
1 1 1    8    2    2 o   47.570   0.4144   47.510   0.6754   47.640   0.4803 -0.1299000 0.8288000 
1 1 1    8    2    3 o   81.110   0.5726   81.030   0.8090   81.190   0.8104 -0.1691000 1.145000 
1 1 1    8    2    4 o   24.100   0.1557   23.990   0.2196   24.210   0.2209 -0.2254000 0.3115000 
1 1 1    8    2    5 o   68.750   0.3979   68.820   0.5633   68.670   0.5622 0.1543000 0.7959000 
1 1 1    8    2    6 o  109.700   0.6310  109.900   0.8939  109.500   0.8907 0.3861000 1.262000 
1 1 1    8    2    7 o   49.730   0.3286   49.680   0.4157   49.780   0.5090 -0.9532000E-01 0.6572000 
1 1 1    8    2    8 o   10.710   0.2429   10.550   0.2907   10.860   0.3893 -0.3044000 0.4858000 
1 1 1    8    2    9 o   41.460   0.2527   41.370   0.3564   41.560   0.3584 -0.1931000 0.5054000 
1 1 1    8    2   10 o   27.420   0.1758   27.550   0.2312   27.290   0.2650 0.2512000 0.3517000 
1 1 1    8    2   11 f   35.770   0.2132   35.630   0.2781   35.910   0.3231 -0.2863000 0.4263000 
1 1 1    8    2   12 o   26.240   0.1785   26.220   0.2339   26.250   0.2696 -0.2513000E-01 0.3570000 
1 1 1    8    2   13 o   38.670   0.2297   38.840   0.3021   38.500   0.3462 0.3460000 0.4595000 
1 1 1    8    2   14 o   57.710   0.3237   57.630   0.4230   57.790   0.4901 -0.1680000 0.6474000 
1 1 1    8    2   15 o   12.960   0.2259   12.820   0.2951   13.090   0.3422 -0.2701000 0.4519000 
1 1 1    8    2   16 o   22.740   0.2538   22.600   0.3546   22.890   0.3632 -0.2875000 0.5076000 
1 1 1    8    2   17 o   10.670   0.2843   10.540   0.3778   10.800   0.4250 -0.2636000 0.5686000 
1 1 1    8    2   18 o   22.830   0.2126   23.110   0.2762   22.550   0.3233 0.5558000 0.4253000 
1 1 1    8    2   19 o   6.7790   0.4814   6.6340   0.6439   6.9230   0.7158 -0.2892000 0.9628000 
1 1 1    8    2   20 f   3.6180   0.9413   3.9850   1.2780   3.2500   1.3830 0.7353000 1.883000 
1 1 1    8    2   21 o   14.170   0.4120   14.260   0.4842   14.070   0.6667 0.1867000 0.8240000 
1 1 1    8    2   22 o   9.7280   0.3342   9.9680   0.4318   9.4880   0.5103 0.4804000 0.6685000 
1 1 1    8    2   23 o   5.5490   0.5557   5.1650   0.7806   5.9330   0.7913 -0.7681000 1.111000 
1 1 1    8    2   24 o   7.9790   0.3978   6.9970   0.5809   8.9620   0.5437 -1.964000 0.7957000 
1 1 1    8    2   25 f   6.9370   0.4658   7.7280   0.5294   6.1450   0.7666 1.582000 0.9317000 
1 1 1    8    2   26 o   4.4210   0.6913   4.1020   0.9767   4.7410   0.9786 -0.6398000 1.383000 
1 1 1    8    2   27 o   9.0290   0.3621   9.2710   0.4678   8.7870   0.5528 0.4839000 0.7242000 
1 1 1    8    2   28 o   8.5960   0.4939   9.0290   0.6660   8.1620   0.7296 0.8668000 0.9879000 
1 1 1    8    2   29 o   4.9940   0.6650   4.8640   0.9103   5.1240   0.9696 -0.2602000 1.330000 
1 1 1    8    2   30 o   6.1840   0.5424   6.3190   0.6950   6.0500   0.8330 0.2689000 1.085000 
1 1 1    8    2   31 f   2.4650   0.7388   1.8980   0.8917   3.0320   1.1780 -1.134000 1.478000 
1 1 1    8    2   32 o   2.3180   0.8028   2.5400   1.2230   2.0950   1.0410 0.4450000 1.606000 
1 1 1    8    4    0 o   31.370   0.2143   30.670   0.2650   32.070   0.3368 -1.395000 0.4285000 
1 1 1    8    4    1 o   23.190   0.1865   22.940   0.2611   23.440   0.2665 -0.4992000 0.3731000 
1 1 1    8    4    2 o   29.290   0.1813   29.520   0.2580   29.060   0.2549 0.4564000 0.3627000 
1 1 1    8    4    3 o   65.940   0.3820   65.930   0.5402   65.950   0.5402 -0.1312000E-01 0.7639000 
1 1 1    8    4    4 o   48.100   0.2836   47.970   0.3999   48.230   0.4023 -0.2570000 0.5672000 
1 1 1    8    4    5 o   74.540   0.4319   74.570   0.6111   74.510   0.6104 0.5376000E-01 0.8637000 
1 1 1    8    4    6 f   42.630   0.2859   42.570   0.3622   42.690   0.4425 -0.1157000 0.5718000 
1 1 1    8    4    7 o   23.560   0.2487   23.660   0.2940   23.470   0.4013 0.1843000 0.4975000 
1 1 1    8    4    8 o   23.250   0.1703   23.550   0.2429   22.960   0.2387 0.5894000 0.3406000 
1 1 1    8    4    9 o   20.860   0.1682   20.760   0.2391   20.970   0.2366 -0.2038000 0.3364000 
1 1 1    8    4   10 o   14.460   0.1716   14.320   0.2422   14.590   0.2431 -0.2757000 0.3432000 
1 1 1    8    4   11 o   3.2750   0.5854   3.1120   0.8455   3.4370   0.8099 -0.3254000 1.171000 
1 1 1    8    4   12 o   35.090   0.2290   34.810   0.3215   35.380   0.3260 -0.5710000 0.4579000 
1 1 1    8    4   13 o   23.430   0.1904   23.550   0.2696   23.310   0.2689 0.2400000 0.3808000 
1 1 1    8    4   14 o   17.900   0.1987   18.000   0.2814   17.810   0.2805 0.1895000 0.3973000 
1 1 1    8    4   15 f   17.840   0.3146   18.300   0.5012   17.380   0.3804 0.9220000 0.6292000 
1 1 1    8    4   16 o   29.990   0.2741   29.740   0.3837   30.250   0.3915 -0.5113000 0.5482000 
1 1 1    8    4   17 o   15.030   0.2361   15.250   0.3062   14.820   0.3595 0.4267000 0.4723000 
1 1 1    8    4   18 o   32.430   0.2263   32.250   0.2949   32.600   0.3432 -0.3460000 0.4525000 
1 1 1    8    4   19 f   22.050   0.2156   21.900   0.2810   22.200   0.3271 -0.3058000 0.4312000 
1 1 1    8    4   20 o   22.480   0.3426   22.430   0.4032   22.520   0.5540 -0.8475000E-01 0.6851000 
1 1 1    8    4   21 o   15.930   0.2349   15.530   0.3158   16.330   0.3479 -0.8031000 0.4698000 
1 1 1    8    4   22 o   2.4230   0.7085   2.6250   1.0220   2.2220   0.9816 0.4035000 1.417000 
1 1 1    8    4   23 f   7.6410   0.4038   7.4570   0.5486   7.8250   0.5928 -0.3682000 0.8077000 
1 1 1    8    4   24 o   2.1540   0.6740   2.1740   0.9426   2.1350   0.9636 0.3854000E-01 1.348000 
1 1 1    8    4   25 o   11.280   0.2871   10.830   0.3901   11.730   0.4212 -0.9000000 0.5741000 
1 1 1    8    4   26 o   2.0660   0.6595   1.9120   0.8796   2.2190   0.9829 -0.3072000 1.319000 
1 1 1    8    4   27 f   5.5210   0.5700   4.8830   0.8558   6.1590   0.7531 -1.276000 1.140000 
1 1 1    8    4   28 o   8.2400   0.5145   8.1530   0.7171   8.3280   0.7379 -0.1749000 1.029000 
1 1 1    8    4   29 o   5.6270   0.5979   5.6270   0.7906   5.6260   0.8973 0.7377000E-03 1.196000 
1 1 1    8    4   30 f   2.4680   0.6961   3.2390   1.1180   1.6980   0.8301 1.540000 1.392000 
1 1 1    8    4   31 o   3.0650   0.8051   3.2080   1.1230   2.9230   1.1540 0.2849000 1.610000 
1 1 1    8    4   32 o   2.4980   0.8292   2.4600   1.1400   2.5360   1.2050 -0.7689000E-01 1.658000 
1 1 1    8    6    0 o   64.120   0.3229   64.330   0.4581   63.910   0.4553 0.4194000 0.6459000 
1 1 1    8    6    1 o   57.810   0.3159   57.500   0.4753   58.110   0.4161 -0.6095000 0.6317000 
1 1 1    8    6    2 o   35.490   0.2182   35.660   0.3097   35.330   0.3076 0.3248000 0.4365000 
1 1 1    8    6    3 o   30.790   0.1959   31.030   0.2786   30.560   0.2756 0.4715000 0.3918000 
1 1 1    8    6    4 o   50.010   0.3307   50.310   0.4219   49.710   0.5094 0.5947000 0.6614000 
1 1 1    8    6    5 o   28.840   0.2820   28.650   0.3294   29.030   0.4577 -0.3838000 0.5639000 
1 1 1    8    6    6 o   11.050   0.2220   10.970   0.3143   11.140   0.3137 -0.1638000 0.4441000 
1 1 1    8    6    7 o   24.220   0.1770   24.220   0.2516   24.230   0.2489 -0.1464000E-01 0.3539000 
1 1 1    8    6    8 o   49.740   0.2994   49.560   0.4224   49.920   0.4243 -0.3654000 0.5987000 
1 1 1    8    6    9 o   30.650   0.2066   30.700   0.2935   30.600   0.2908 0.9609000E-01 0.4131000 
1 1 1    8    6   10 o   28.320   0.2236   28.290   0.2819   28.360   0.3473 -0.6863000E-01 0.4473000 
1 1 1    8    6   11 o   34.110   0.2255   33.830   0.3176   34.390   0.3202 -0.5571000 0.4510000 
1 1 1    8    6   12 o   5.2540   0.4516   6.0690   0.5270   4.4390   0.7335 1.630000 0.9032000 
1 1 1    8    6   13 o   43.840   0.2756   43.320   0.3859   44.360   0.3937 -1.045000 0.5513000 
1 1 1    8    6   14 o   52.710   0.3227   52.450   0.4551   52.970   0.4577 -0.5178000 0.6455000 
1 1 1    8    6   15 o   38.680   0.3864   39.320   0.6337   38.040   0.4422 1.279000 0.7727000 
1 1 1    8    6   16 o   22.950   0.2176   22.700   0.3090   23.200   0.3065 -0.4996000 0.4352000 
1 1 1    8    6   17 o   6.1780   0.5514   6.1930   0.7801   6.1640   0.7794 0.2893000E-01 1.103000 
1 1 1    8    6   18 o   28.680   0.2346   28.520   0.3335   28.830   0.3300 -0.3157000 0.4692000 
1 1 1    8    6   19 o   6.9620   0.4979   6.7900   0.7282   7.1330   0.6791 -0.3434000 0.9958000 
1 1 1    8    6   20 o   18.150   0.3526   17.790   0.4368   18.510   0.5537 -0.7220000 0.7052000 
1 1 1    8    6   21 o   8.7490   0.3597   8.4320   0.4946   9.0670   0.5225 -0.6354000 0.7194000 
1 1 1    8    6   22 o   6.8810   0.4539   7.1120   0.5794   6.6510   0.6989 0.4605000 0.9078000 
1 1 1    8    6   23 f   3.7880   0.7863   3.6530   1.1450   3.9240   1.0780 -0.2709000 1.573000 
1 1 1    8    6   24 o   3.7890   0.7365   3.3760   1.0400   4.2030   1.0430 -0.8270000 1.473000 
1 1 1    8    6   25 o   12.520   0.2726   12.520   0.3624   12.530   0.4074 -0.8305000E-02 0.5452000 
1 1 1    8    6   26 o   8.7180   0.3583   8.8690   0.4625   8.5680   0.5474 0.3010000 0.7166000 
1 1 1    8    6   27 o   6.1030   0.6752   5.8720   0.9730   6.3330   0.9365 -0.4607000 1.350000 
1 1 1    8    6   28 o   10.230   0.3378   10.480   0.4347   9.9790   0.5171 0.5060000 0.6755000 
1 1 1    8    6   29 o   4.0510   0.7683   4.2420   1.0350   3.8600   1.1360 0.3823000 1.537000 
1 1 1    8    6   30 o   2.0000   0.6599   1.8020   0.8620   2.1990   0.9995 -0.3971000 1.320000 
1 1 1    8    6   31 o   2.8160   0.8964   2.4570   1.1340   3.1750   1.3890 -0.7179000 1.793000 
1 1 1    8    6   32 o   2.4470   0.7339   2.0290   0.9325   2.8650   1.1340 -0.8361000 1.468000 
1 1 1    8    8    0 o   8.1690   0.2400   7.5620   0.3943   8.7760   0.2739 -1.214000 0.4801000 
1 1 1    8    8    1 o   44.750   0.2701   44.460   0.3799   45.040   0.3840 -0.5790000 0.5402000 
1 1 1    8    8    2 o   15.870   0.1961   15.500   0.2815   16.240   0.2731 -0.7433000 0.3922000 
1 1 1    8    8    3 o   40.230   0.2786   40.270   0.4304   40.200   0.3537 0.7197000E-01 0.5571000 
1 1 1    8    8    4 o   20.980   0.2039   20.120   0.2797   21.840   0.2969 -1.715000 0.4079000 
1 1 1    8    8    5 o   35.230   0.2246   35.310   0.3177   35.160   0.3177 0.1446000 0.4492000 
1 1 1    8    8    6 o   26.100   0.2279   25.530   0.3250   26.670   0.3197 -1.142000 0.4558000 
1 1 1    8    8    7 o   30.600   0.2074   30.530   0.2924   30.680   0.2943 -0.1501000 0.4148000 
1 1 1    8    8    8 o   34.250   0.2255   34.160   0.3176   34.340   0.3202 -0.1813000 0.4510000 
1 1 1    8    8    9 o   23.070   0.1878   23.100   0.2653   23.040   0.2658 0.5734000E-01 0.3756000 
1 1 1    8    8   10 o   18.560   0.1876   18.490   0.2676   18.630   0.2631 -0.1380000 0.3752000 
1 1 1    8    8   11 o   21.880   0.1950   21.700   0.2795   22.060   0.2721 -0.3637000 0.3900000 
1 1 1    8    8   12 o   4.7780   0.5695   5.5350   0.6731   4.0210   0.9189 1.514000 1.139000 
1 1 1    8    8   13 o   39.490   0.2620   38.990   0.3727   40.000   0.3684 -1.010000 0.5240000 
1 1 1    8    8   14 o   26.410   0.3224   26.590   0.5201   26.230   0.3810 0.3552000 0.6447000 
1 1 1    8    8   15 f   5.4990   0.5824   5.4540   0.8276   5.5440   0.8198 -0.8992000E-01 1.165000 
1 1 1    8    8   16 o   8.5470   0.4020   8.7440   0.5597   8.3490   0.5770 0.3951000 0.8039000 
1 1 1    8    8   17 o   10.120   0.3587   10.750   0.4824   9.4870   0.5311 1.262000 0.7175000 
1 1 1    8    8   18 o   16.850   0.2518   16.510   0.3599   17.180   0.3523 -0.6722000 0.5036000 
1 1 1    8    8   19 o   6.7110   0.7377   6.8500   0.9062   6.5710   1.1640 0.2790000 1.475000 
1 1 1    8    8   20 o   10.180   0.3404   9.8990   0.4995   10.470   0.4626 -0.5665000 0.6808000 
1 1 1    8    8   21 o   5.7820   0.5801   5.4010   0.8834   6.1630   0.7520 -0.7618000 1.160000 
1 1 1    8    8   22 o   4.9660   0.6639   4.8890   0.9650   5.0420   0.9122 -0.1521000 1.328000 
1 1 1    8    8   23 o   4.4180   0.7293   4.1920   1.0610   4.6440   1.0010 -0.4518000 1.459000 
1 1 1    8    8   24 o   10.870   0.3038   10.650   0.4049   11.090   0.4529 -0.4450000 0.6075000 
1 1 1    8    8   25 o   4.5810   0.6521   3.1420   1.0470   6.0190   0.7780 -2.876000 1.304000 
1 1 1    8    8   26 o   7.5840   0.4190   7.0610   0.5893   8.1070   0.5958 -1.046000 0.8380000 
1 1 1    8    8   27 o   9.5070   0.4627   9.0810   0.6699   9.9330   0.6385 -0.8520000 0.9255000 
1 1 1    8    8   28 o   5.1180   0.6549   3.9040   1.0470   6.3310   0.7865 -2.427000 1.310000 
1 1 1    8    8   29 o   6.2140   0.5482   5.7590   0.7829   6.6700   0.7677 -0.9118000 1.096000 
1 1 1    8    8   30 o   3.2170   0.8096   2.9780   1.1100   3.4550   1.1790 -0.4765000 1.619000 
1 1 1    8    8   31 o   2.5520   0.8339   2.2690   1.0690   2.8340   1.2800 -0.5650000 1.668000 
1 1 1    8   10    0 f   19.620   0.1515   19.540   0.2132   19.690   0.2155 -0.1443000 0.3031000 
1 1 1    8   10    1 o   18.400   0.1512   18.320   0.2125   18.470   0.2150 -0.1531000 0.3023000 
1 1 1    8   10    2 o   19.450   0.1678   20.000   0.2162   18.900   0.2566 1.104000 0.3355000 
1 1 1    8   10    3 o   34.330   0.2098   34.110   0.3154   34.550   0.2767 -0.4439000 0.4195000 
1 1 1    8   10    4 o   22.400   0.1707   22.750   0.2565   22.050   0.2252 0.6906000 0.3414000 
1 1 1    8   10    5 f   30.680   0.2104   30.720   0.2973   30.630   0.2977 0.9467000E-01 0.4207000 
1 1 1    8   10    6 o   19.820   0.1827   19.800   0.2575   19.850   0.2593 -0.4676000E-01 0.3654000 
1 1 1    8   10    7 o   7.2500   0.3092   7.4500   0.4318   7.0500   0.4427 0.4009000 0.6184000 
1 1 1    8   10    8 o   48.610   0.2986   48.560   0.4218   48.650   0.4226 -0.8470000E-01 0.5971000 
1 1 1    8   10    9 o   18.520   0.1965   18.580   0.2733   18.450   0.2826 0.1356000 0.3931000 
1 1 1    8   10   10 o   30.700   0.2207   30.430   0.3100   30.970   0.3141 -0.5449000 0.4413000 
1 1 1    8   10   11 o   9.8830   0.2970   9.9930   0.4206   9.7740   0.4193 0.2193000 0.5940000 
1 1 1    8   10   12 o   59.300   0.5388   59.190   0.8780   59.410   0.6247 -0.2221000 1.078000 
1 1 1    8   10   13 o   34.750   0.3032   34.910   0.4331   34.600   0.4245 0.3136000 0.6064000 
1 1 1    8   10   14 o   29.360   0.2320   29.330   0.3315   29.380   0.3246 -0.4304000E-01 0.4640000 
1 1 1    8   10   15 o   14.330   0.2759   13.900   0.4057   14.770   0.3739 -0.8691000 0.5517000 
1 1 1    8   10   16 o   18.170   0.2494   18.220   0.3592   18.120   0.3460 0.1035000 0.4988000 
1 1 1    8   10   17 o   19.890   0.2418   19.640   0.3435   20.130   0.3403 -0.4936000 0.4835000 
1 1 1    8   10   18 o   15.170   0.3843   14.530   0.4906   15.810   0.5917 -1.285000 0.7686000 
1 1 1    8   10   19 o   21.890   0.2326   21.750   0.3289   22.040   0.3289 -0.2922000 0.4651000 
1 1 1    8   10   20 o   8.4640   0.3988   8.7880   0.5442   8.1390   0.5830 0.6496000 0.7975000 
1 1 1    8   10   21 o   10.140   0.3429   10.030   0.4904   10.250   0.4795 -0.2265000 0.6859000 
1 1 1    8   10   22 o   14.730   0.2697   15.020   0.3813   14.440   0.3814 0.5836000 0.5393000 
1 1 1    8   10   23 o   4.6020   0.7064   4.0070   1.0990   5.1970   0.8879 -1.189000 1.413000 
1 1 1    8   10   24 o   7.0250   0.4724   7.2270   0.6531   6.8230   0.6826 0.4042000 0.9447000 
1 1 1    8   10   25 o   4.7280   0.6994   4.3370   1.0550   5.1190   0.9184 -0.7822000 1.399000 
1 1 1    8   10   26 o   11.130   0.5145   10.750   0.8506   11.510   0.5792 -0.7566000 1.029000 
1 1 1    8   10   27 o   6.3010   0.5290   5.9910   0.7351   6.6100   0.7609 -0.6187000 1.058000 
1 1 1    8   10   28 o   3.3500   0.7475   4.1480   1.0280   2.5530   1.0850 1.595000 1.495000 
1 1 1    8   10   29 f   4.6100   0.7412   4.7070   0.9810   4.5120   1.1110 0.1952000 1.482000 
1 1 1    8   10   30 o   2.0940   0.7245   1.9530   0.9559   2.2360   1.0890 -0.2835000 1.449000 
1 1 1    8   10   31 o   2.0520   0.6707   1.7150   0.8305   2.3890   1.0530 -0.6746000 1.341000 
1 1 1    8   12    0 o   17.660   0.1647   17.710   0.2327   17.610   0.2332 0.9972000E-01 0.3294000 
1 1 1    8   12    1 o   14.410   0.1747   14.470   0.2481   14.360   0.2461 0.1110000 0.3494000 
1 1 1    8   12    2 o   16.210   0.1684   16.610   0.2354   15.810   0.2409 0.7955000 0.3368000 
1 1 1    8   12    3 o   23.950   0.1836   24.260   0.2786   23.630   0.2393 0.6259000 0.3673000 
1 1 1    8   12    4 o   56.060   0.3167   56.200   0.4795   55.920   0.4137 0.2842000 0.6333000 
1 1 1    8   12    5 f   9.5100   0.2501   9.8030   0.3680   9.2160   0.3388 0.5867000 0.5002000 
1 1 1    8   12    6 o   22.700   0.2228   22.750   0.3467   22.650   0.2800 0.9391000E-01 0.4457000 
1 1 1    8   12    7 o   38.580   0.2529   38.750   0.3585   38.400   0.3568 0.3528000 0.5058000 
1 1 1    8   12    8 o   36.850   0.2468   37.200   0.3518   36.490   0.3461 0.7173000 0.4936000 
1 1 1    8   12    9 o   34.740   0.2647   34.760   0.4080   34.710   0.3375 0.4210000E-01 0.5295000 
1 1 1    8   12   10 o   23.690   0.3138   23.900   0.4973   23.470   0.3829 0.4285000 0.6276000 
1 1 1    8   12   11 o   19.150   0.2858   19.800   0.3958   18.510   0.4123 1.292000 0.5716000 
1 1 1    8   12   12 o   21.800   0.2245   21.470   0.3196   22.130   0.3154 -0.6590000 0.4490000 
1 1 1    8   12   13 o   5.6500   0.6193   4.7720   0.9976   6.5270   0.7342 -1.755000 1.239000 
1 1 1    8   12   14 o   14.470   0.2697   14.140   0.3908   14.810   0.3717 -0.6654000 0.5393000 
1 1 1    8   12   15 o   5.1810   0.6622   5.0040   0.9775   5.3580   0.8936 -0.3533000 1.324000 
1 1 1    8   12   16 o   3.5600   0.9230   4.0860   1.3010   3.0350   1.3090 1.052000 1.846000 
1 1 1    8   12   17 o   3.3120   0.8914   3.2400   1.2690   3.3840   1.2520 -0.1448000 1.783000 
1 1 1    8   12   18 o   10.370   0.3419   10.380   0.4961   10.350   0.4706 0.2994000E-01 0.6838000 
1 1 1    8   12   19 o   14.390   0.2701   14.770   0.3756   14.010   0.3881 0.7587000 0.5401000 
1 1 1    8   12   20 o   7.6330   0.4433   7.8420   0.6159   7.4240   0.6378 0.4187000 0.8867000 
1 1 1    8   12   21 o   6.9900   0.4828   7.1740   0.6837   6.8050   0.6818 0.3686000 0.9656000 
1 1 1    8   12   22 o   3.2210   0.7953   3.2620   1.1480   3.1810   1.1010 0.8107000E-01 1.591000 
1 1 1    8   12   23 o   4.6350   0.7095   5.2600   0.9351   4.0090   1.0670 1.250000 1.419000 
1 1 1    8   12   24 o   4.9620   0.6668   4.1280   1.0720   5.7960   0.7930 -1.669000 1.334000 
1 1 1    8   12   25 o   4.1590   0.9117   5.2890   1.3460   3.0280   1.2300 2.261000 1.823000 
1 1 1    8   12   26 o   7.2930   0.4822   6.9130   0.7184   7.6740   0.6433 -0.7610000 0.9644000 
1 1 1    8   12   27 o   4.7080   0.7386   4.4850   1.0450   4.9310   1.0440 -0.4462000 1.477000 
1 1 1    8   12   28 o   6.5080   0.5646   6.4620   0.7877   6.5530   0.8092 -0.9029000E-01 1.129000 
1 1 1    8   12   29 o   2.5650   0.8384   2.5110   1.1510   2.6190   1.2190 -0.1078000 1.677000 
1 1 1    8   12   30 o   2.7750   0.7896   2.9650   1.1300   2.5850   1.1030 0.3799000 1.579000 
1 1 1    8   14    0 o   41.080   0.2300   41.340   0.3266   40.810   0.3240 0.5249000 0.4601000 
1 1 1    8   14    1 o   13.750   0.2160   14.310   0.2714   13.190   0.3361 1.118000 0.4320000 
1 1 1    8   14    2 o   52.730   0.2800   52.710   0.3958   52.760   0.3963 -0.5001000E-01 0.5601000 
1 1 1    8   14    3 o   16.630   0.2333   16.380   0.3867   16.880   0.2612 -0.4986000 0.4666000 
1 1 1    8   14    4 o   17.870   0.2110   17.710   0.3046   18.040   0.2921 -0.3349000 0.4221000 
1 1 1    8   14    5 o   58.880   0.3986   59.320   0.6203   58.440   0.5007 0.8754000 0.7971000 
1 1 1    8   14    6 o   15.510   0.2460   15.250   0.3740   15.770   0.3196 -0.5160000 0.4920000 
1 1 1    8   14    7 o   12.420   0.3784   11.490   0.6079   13.350   0.4507 -1.859000 0.7568000 
1 1 1    8   14    8 o   20.680   0.2784   21.010   0.3858   20.350   0.4016 0.6528000 0.5569000 
1 1 1    8   14    9 f   10.530   0.3199   10.360   0.4497   10.710   0.4550 -0.3516000 0.6397000 
1 1 1    8   14   10 o   34.050   0.2474   34.080   0.3502   34.020   0.3496 0.6436000E-01 0.4949000 
1 1 1    8   14   11 o   23.590   0.2317   23.370   0.3263   23.810   0.3292 -0.4476000 0.4635000 
1 1 1    8   14   12 o   14.840   0.2688   14.870   0.3768   14.810   0.3836 0.5253000E-01 0.5377000 
1 1 1    8   14   13 o   13.440   0.2838   13.500   0.3949   13.380   0.4078 0.1145000 0.5676000 
1 1 1    8   14   14 o   4.4690   0.8777   4.4240   1.2880   4.5140   1.1930 -0.9004000E-01 1.755000 
1 1 1    8   14   15 o   10.990   0.4763   10.970   0.5952   11.020   0.7437 -0.4494000E-01 0.9526000 
1 1 1    8   14   16 o   3.7090   0.7866   3.2080   1.1370   4.2100   1.0870 -1.002000 1.573000 
1 1 1    8   14   17 o   5.2150   0.6481   4.7180   1.0080   5.7120   0.8144 -0.9944000 1.296000 
1 1 1    8   14   18 o   3.4210   0.7502   2.6440   1.0720   4.1990   1.0500 -1.554000 1.500000 
1 1 1    8   14   19 o   7.5600   0.4450   7.3280   0.6617   7.7920   0.5951 -0.4635000 0.8900000 
1 1 1    8   14   20 o   2.7270   0.7681   2.9080   1.1230   2.5460   1.0490 0.3623000 1.536000 
1 1 1    8   14   21 o   2.6750   0.6992   3.5850   1.1110   1.7650   0.8490 1.820000 1.398000 
1 1 1    8   14   22 o   3.4860   0.7269   2.4280   1.0430   4.5430   1.0120 -2.115000 1.454000 
1 1 1    8   14   23 o   3.3500   0.7835   2.8420   1.1130   3.8580   1.1030 -1.016000 1.567000 
1 1 1    8   14   24 o   2.5880   0.8272   2.6190   1.2040   2.5560   1.1350 0.6266000E-01 1.654000 
1 1 1    8   14   25 o   8.3530   0.4275   8.6150   0.5916   8.0900   0.6174 0.5251000 0.8551000 
1 1 1    8   14   26 o   2.3570   0.7305   2.4670   1.0570   2.2460   1.0090 0.2213000 1.461000 
1 1 1    8   14   27 o   6.7970   0.5386   7.0390   0.7458   6.5560   0.7772 0.4823000 1.077000 
1 1 1    8   14   28 o   3.7160   0.8939   2.1860   1.0580   5.2460   1.4410 -3.061000 1.788000 
1 1 1    8   14   29 o   2.1890   0.7083   2.3730   1.0550   2.0050   0.9450 0.3683000 1.417000 
1 1 1    8   16    0 o   15.670   0.2320   15.940   0.3261   15.410   0.3300 0.5280000 0.4639000 
1 1 1    8   16    1 o   29.980   0.2315   29.740   0.3252   30.220   0.3294 -0.4821000 0.4629000 
1 1 1    8   16    2 o   28.620   0.2293   28.310   0.3221   28.930   0.3263 -0.6246000 0.4585000 
1 1 1    8   16    3 o   17.850   0.2365   18.020   0.3296   17.690   0.3393 0.3318000 0.4730000 
1 1 1    8   16    4 o   51.840   0.3642   52.060   0.5657   51.620   0.4587 0.4486000 0.7283000 
1 1 1    8   16    5 o   38.180   0.2473   38.460   0.3763   37.900   0.3209 0.5532000 0.4945000 
1 1 1    8   16    6 o   6.6780   0.4505   6.6890   0.6657   6.6660   0.6070 0.2299000E-01 0.9009000 
1 1 1    8   16    7 f   7.4800   0.4049   7.4000   0.6019   7.5600   0.5418 -0.1604000 0.8099000 
1 1 1    8   16    8 o   37.280   0.2455   37.080   0.3693   37.470   0.3234 -0.3908000 0.4909000 
1 1 1    8   16    9 o   20.840   0.2365   20.460   0.3337   21.230   0.3351 -0.7701000 0.4729000 
1 1 1    8   16   10 o   24.150   0.2338   24.050   0.3264   24.250   0.3347 -0.2067000 0.4675000 
1 1 1    8   16   11 f   26.220   0.2611   26.100   0.3333   26.340   0.4020 -0.2463000 0.5222000 
1 1 1    8   16   12 o   18.880   0.3496   18.880   0.4395   18.890   0.5438 -0.6884000E-02 0.6992000 
1 1 1    8   16   13 o   16.040   0.3331   15.750   0.4859   16.320   0.4556 -0.5686000 0.6661000 
1 1 1    8   16   14 o   2.8530   0.7519   3.4830   1.1250   2.2230   0.9980 1.260000 1.504000 
1 1 1    8   16   15 o   8.1710   0.4100   8.0240   0.5880   8.3190   0.5715 -0.2946000 0.8199000 
1 1 1    8   16   16 o   9.4960   0.3668   9.3620   0.5264   9.6310   0.5110 -0.2688000 0.7337000 
1 1 1    8   16   17 o   9.4760   0.3625   9.1570   0.5231   9.7950   0.5020 -0.6378000 0.7250000 
1 1 1    8   16   18 o   10.620   0.3346   10.270   0.4891   10.960   0.4566 -0.6938000 0.6691000 
1 1 1    8   16   19 o   3.1240   0.6956   1.9520   0.9150   4.2970   1.0480 -2.345000 1.391000 
1 1 1    8   16   20 o   3.1820   0.7606   3.9300   1.1140   2.4340   1.0360 1.495000 1.521000 
1 1 1    8   16   21 o   5.7060   0.5900   5.8010   0.8406   5.6100   0.8281 0.1908000 1.180000 
1 1 1    8   16   22 o   2.5350   0.8101   2.3690   1.1280   2.7010   1.1630 -0.3323000 1.620000 
1 1 1    8   16   23 o   3.1780   0.8241   3.3260   1.2150   3.0300   1.1140 0.2968000 1.648000 
1 1 1    8   16   24 o   8.2940   0.4257   8.1240   0.6166   8.4650   0.5872 -0.3407000 0.8515000 
1 1 1    8   16   25 o   4.1130   0.7898   4.3610   1.0910   3.8650   1.1420 0.4961000 1.580000 
1 1 1    8   16   26 o   5.6150   0.6586   5.3350   0.9862   5.8950   0.8732 -0.5597000 1.317000 
1 1 1    8   16   27 o   2.6700   0.8434   3.0350   1.2790   2.3060   1.1000 0.7294000 1.687000 
1 1 1    8   16   28 o   2.1010   0.6843   1.7930   0.8723   2.4080   1.0550 -0.6153000 1.369000 
1 1 1    8   18    0 o   5.4210   0.5649   6.3340   0.6422   4.5080   0.9295 1.826000 1.130000 
1 1 1    8   18    1 o   21.850   0.2030   22.170   0.2865   21.530   0.2877 0.6396000 0.4060000 
1 1 1    8   18    2 o   15.160   0.2327   15.120   0.3315   15.210   0.3268 -0.8539000E-01 0.4655000 
1 1 1    8   18    3 o   16.260   0.2224   16.270   0.3134   16.260   0.3157 0.1060000E-01 0.4449000 
1 1 1    8   18    4 o   37.490   0.2479   37.350   0.3748   37.620   0.3247 -0.2655000 0.4959000 
1 1 1    8   18    5 o   13.280   0.2725   13.790   0.4039   12.780   0.3660 1.009000 0.5451000 
1 1 1    8   18    6 o   16.700   0.2397   16.370   0.3631   17.030   0.3130 -0.6552000 0.4794000 
1 1 1    8   18    7 o   19.610   0.2356   19.620   0.3364   19.600   0.3301 0.2032000E-01 0.4713000 
1 1 1    8   18    8 o   3.1590   0.7803   3.4000   1.1200   2.9170   1.0860 0.4824000 1.561000 
1 1 1    8   18    9 o   13.740   0.4958   13.740   0.4958  ?   ?       ?      ? 
1 1 1    8   18   10 f   16.390   0.2973   16.140   0.4684   16.640   0.3663 -0.5058000 0.5946000 
1 1 1    8   18   11 o   19.410   0.2439   19.300   0.3435   19.520   0.3464 -0.2235000 0.4878000 
1 1 1    8   18   12 o   3.8270   0.7155   5.1040   0.9357   2.5500   1.0830 2.554000 1.431000 
1 1 1    8   18   13 o   7.6910   0.4574   7.1730   0.6779   8.2100   0.6144 -1.036000 0.9149000 
1 1 1    8   18   14 o   16.490   0.2643   16.180   0.3689   16.810   0.3786 -0.6378000 0.5286000 
1 1 1    8   18   15 o   9.4670   0.3720   9.1800   0.5365   9.7540   0.5156 -0.5733000 0.7441000 
1 1 1    8   18   16 o   3.0630   0.7857   3.0140   1.1030   3.1110   1.1190 -0.9679000E-01 1.571000 
1 1 1    8   18   17 o   2.9510   0.7821   2.7530   1.0850   3.1480   1.1270 -0.3947000 1.564000 
1 1 1    8   18   18 o   8.4700   0.4061   8.4290   0.5797   8.5120   0.5689 -0.8378000E-01 0.8122000 
1 1 1    8   18   19 o   3.2490   0.7882   3.2310   1.1150   3.2670   1.1150 -0.3667000E-01 1.576000 
1 1 1    8   18   20 o   2.7520   0.8022   2.1790   0.9775   3.3250   1.2720 -1.146000 1.604000 
1 1 1    8   18   21 o   6.5580   0.7666   7.3470   1.0560   5.7680   1.1120 1.579000 1.533000 
1 1 1    8   18   22 o   2.9790   0.7756   2.4530   1.0560   3.5060   1.1360 -1.053000 1.551000 
1 1 1    8   18   23 o   5.5260   0.6473   5.1220   0.9892   5.9290   0.8351 -0.8073000 1.295000 
1 1 1    8   18   24 o   5.5830   0.6660   5.5180   0.9763   5.6490   0.9062 -0.1311000 1.332000 
1 1 1    8   18   25 o   3.2410   0.8909   3.3220   1.3220   3.1600   1.1950 0.1616000 1.782000 
1 1 1    8   18   26 o   4.5480   0.8103   6.5360   1.0980   2.5610   1.1920 3.975000 1.621000 
1 1 1    8   20    0 o   14.730   0.2688   14.950   0.3810   14.510   0.3793 0.4400000 0.5377000 
1 1 1    8   20    1 o   6.5700   0.5151   6.8250   0.7076   6.3140   0.7489 0.5110000 1.030000 
1 1 1    8   20    2 o   15.440   0.2664   15.540   0.3799   15.340   0.3737 0.2036000 0.5329000 
1 1 1    8   20    3 o   9.9460   0.3791   10.640   0.5097   9.2570   0.5614 1.379000 0.7583000 
1 1 1    8   20    4 o   23.190   0.3401  ?   ?    23.190   0.3401      ?      ? 
1 1 1    8   20    5 o   11.260   0.3915   11.850   0.6203   10.670   0.4778 1.179000 0.7830000 
1 1 1    8   20    6 o   19.810   0.3482  ?   ?    19.810   0.3482      ?      ? 
1 1 1    8   20    7 o   16.340   0.2444   16.230   0.3688   16.450   0.3207 -0.2280000 0.4887000 
1 1 1    8   20    8 o   5.9750   0.5563   5.5550   0.8990   6.3950   0.6556 -0.8400000 1.113000 
1 1 1    8   20    9 o   8.0870   0.3910   8.5110   0.5660   7.6620   0.5397 0.8484000 0.7820000 
1 1 1    8   20   10 o   20.610   0.2258   20.350   0.3413   20.880   0.2956 -0.5308000 0.4515000 
1 1 1    8   20   11 o   2.8990   0.7657   2.7710   1.1040   3.0260   1.0620 -0.2553000 1.531000 
1 1 1    8   20   12 o   6.1240   0.5188   6.1950   0.7779   6.0530   0.6866 0.1428000 1.038000 
1 1 1    8   20   13 o   3.9930   0.7717   4.0600   1.0740   3.9260   1.1080 0.1339000 1.543000 
1 1 1    8   20   14 o   3.4300   0.8087   3.5330   1.1270   3.3280   1.1600 0.2050000 1.617000 
1 1 1    8   20   15 o   5.6740   0.6121   5.4690   0.8770   5.8780   0.8543 -0.4094000 1.224000 
1 1 1    8   20   16 o   3.6230   0.7962   3.8130   1.1130   3.4340   1.1390 0.3792000 1.592000 
1 1 1    8   20   17 o   13.760   0.2840   14.000   0.3957   13.520   0.4074 0.4819000 0.5680000 
1 1 1    8   20   18 o   6.1190   0.7974   4.1210   1.4030   8.1170   0.7578 -3.997000 1.595000 
1 1 1    8   20   19 o   4.5840   0.9434   4.2560   1.4150   4.9130   1.2480 -0.6565000 1.887000 
1 1 1    8   20   20 o   6.0940   0.5876   6.4390   0.7685   5.7490   0.8891 0.6898000 1.175000 
1 1 1    8   20   21 o   3.6050   0.7799   2.7420   1.1100   4.4680   1.0960 -1.726000 1.560000 
1 1 1    8   20   22 o   3.3550   0.8220   3.1570   1.1610   3.5530   1.1630 -0.3962000 1.644000 
1 1 1    8   20   23 o   3.8330   0.7933   4.6600   1.0890   3.0070   1.1540 1.653000 1.587000 
1 1 1    8   20   24 o   2.3940   0.7925   2.6560   1.1920   2.1320   1.0440 0.5240000 1.585000 
1 1 1    8   20   25 o   1.9540   0.6554   2.1770   1.0020   1.7310   0.8448 0.4451000 1.311000 
1 1 1    8   22    0 o   10.090   0.3122   10.650   0.4243   9.5260   0.4582 1.128000 0.6245000 
1 1 1    8   22    1 o   2.3150   0.6936   2.4540   1.0040   2.1760   0.9576 0.2778000 1.387000 
1 1 1    8   22    2 o   7.4530   0.4062   7.1880   0.5979   7.7180   0.5500 -0.5294000 0.8124000 
1 1 1    8   22    3 o   15.230   0.2358   15.050   0.3352   15.410   0.3318 -0.3650000 0.4716000 
1 1 1    8   22    4 o   14.180   0.2638   14.200   0.3996   14.150   0.3444 0.4791000E-01 0.5276000 
1 1 1    8   22    5 o   3.3820   0.7400   4.3350   1.0890   2.4280   1.0030 1.907000 1.480000 
1 1 1    8   22    6 o   4.2340   0.7268   3.6550   1.1710   4.8130   0.8616 -1.157000 1.454000 
1 1 1    8   22    7 f   5.6520   0.5542   6.0130   0.7950   5.2910   0.7723 0.7226000 1.108000 
1 1 1    8   22    8 o   4.1900   0.6822   5.4340   0.8707   2.9450   1.0500 2.489000 1.364000 
1 1 1    8   22    9 o   9.3350   0.3500   9.4650   0.5313   9.2060   0.4557 0.2596000 0.7000000 
1 1 1    8   22   10 o   13.620   0.2646   13.570   0.4027   13.670   0.3433 -0.1036000 0.5291000 
1 1 1    8   22   11 o   6.2010   0.5107   6.7490   0.7194   5.6530   0.7250 1.096000 1.021000 
1 1 1    8   22   12 o   6.3990   0.4888   6.5990   0.7139   6.2000   0.6677 0.3988000 0.9775000 
1 1 1    8   22   13 o   3.2080   0.7652   3.0330   1.1240   3.3830   1.0390 -0.3499000 1.530000 
1 1 1    8   22   14 o   6.8750   0.4510   7.0190   0.6699   6.7310   0.6040 0.2881000 0.9020000 
1 1 1    8   22   15 o   2.9210   0.7977   2.8020   1.1350   3.0410   1.1210 -0.2386000 1.595000 
1 1 1    8   22   16 o   3.1090   0.9095   2.4940   1.1590   3.7250   1.4020 -1.231000 1.819000 
1 1 1    8   22   17 o   6.3800   0.5795   6.3480   0.7926   6.4120   0.8457 -0.6363000E-01 1.159000 
1 1 1    8   22   18 o   2.5500   0.7708   2.5530   1.0830   2.5460   1.0970 0.6619000E-02 1.542000 
1 1 1    8   22   19 o   3.2840   0.8053   2.6610   1.1020   3.9070   1.1750 -1.246000 1.611000 
1 1 1    8   22   20 o   3.0870   0.8275   3.0410   1.1570   3.1320   1.1830 -0.9120000E-01 1.655000 
1 1 1    8   22   21 o   4.8730   0.7668   4.9470   1.0470   4.7990   1.1210 0.1481000 1.534000 
1 1 1    8   22   22 o   2.2430   0.7687   1.8170   0.9051   2.6680   1.2430 -0.8511000 1.537000 
1 1 1    8   22   23 o   2.2600   0.7325   2.4000   1.0900   2.1200   0.9787 0.2799000 1.465000 
1 1 1    8   24    0 o   8.5800   0.3499   8.3060   0.5077   8.8540   0.4816 -0.5476000 0.6998000 
1 1 1    8   24    1 o   5.0170   0.6019   3.9640   1.0040   6.0700   0.6643 -2.105000 1.204000 
1 1 1    8   24    2 o   4.3510   0.6715   4.6520   0.8976   4.0500   0.9989 0.6022000 1.343000 
1 1 1    8   24    3 o   5.7580   0.5184   5.0680   0.8220   6.4480   0.6320 -1.380000 1.037000 
1 1 1    8   24    4 o   3.1560   0.7662   3.6650   1.1390   2.6460   1.0250 1.018000 1.532000 
1 1 1    8   24    5 f   10.400   0.3311   10.310   0.5134   10.480   0.4182 -0.1685000 0.6622000 
1 1 1    8   24    6 o   5.6420   0.5819   5.6630   0.9068   5.6210   0.7295 0.4195000E-01 1.164000 
1 1 1    8   24    7 o   5.8150   0.5425   5.4660   0.8634   6.1650   0.6569 -0.6988000 1.085000 
1 1 1    8   24    8 o   3.2570   0.7763   3.1570   1.1360   3.3570   1.0580 -0.1997000 1.553000 
1 1 1    8   24    9 f   2.2850   0.6632   1.6650   0.8141   2.9050   1.0470 -1.240000 1.326000 
1 1 1    8   24   10 o   5.3250   0.5780   5.5130   0.8486   5.1360   0.7849 0.3772000 1.156000 
1 1 1    8   24   11 o   3.5390   0.8052   3.2040   1.1800   3.8740   1.0960 -0.6691000 1.610000 
1 1 1    8   24   12 f   7.2270   0.6848   7.8980   0.9469   6.5550   0.9896 1.343000 1.370000 
1 1 1    8   24   13 o   10.820   0.4986   10.770   0.7577   10.860   0.6483 -0.8858000E-01 0.9972000 
1 1 1    8   24   14 o   3.8230   0.7213   4.9720   0.9820   2.6730   1.0570 2.299000 1.443000 
1 1 1    8   24   15 o   2.5550   0.7464   2.6480   1.0840   2.4620   1.0270 0.1862000 1.493000 
1 1 1    8   24   16 o   2.3610   0.7203   2.3060   1.0170   2.4150   1.0200 -0.1087000 1.441000 
1 1 1    8   24   17 o   2.1250   0.6955   1.8430   0.9078   2.4060   1.0540 -0.5639000 1.391000 
1 1 1    8   24   18 o   2.3370   0.7402   2.3090   1.0360   2.3660   1.0570 -0.5687000E-01 1.480000 
1 1 1    8   24   19 o   2.5200   0.8206   2.6720   1.1930   2.3680   1.1270 0.3046000 1.641000 
1 1 1    8   24   20 o   2.5830   0.8447   2.3420   1.0990   2.8230   1.2830 -0.4812000 1.689000 
1 1 1    8   24   21 o   2.8730   1.3450   2.8730   1.3450  ?   ?       ?      ? 
1 1 1    8   26    0 o   3.4210   0.6588   2.1750   0.9539   4.6680   0.9088 -2.493000 1.318000 
1 1 1    8   26    1 o   8.9540   0.3432   9.3730   0.4589   8.5360   0.5106 0.8374000 0.6865000 
1 1 1    8   26    2 o   3.3990   0.7099   2.5970   1.0280   4.2010   0.9790 -1.604000 1.420000 
1 1 1    8   26    3 f   7.1470   0.4795   6.9130   0.6934   7.3810   0.6625 -0.4674000 0.9590000 
1 1 1    8   26    4 o   3.7900   0.8192   3.3560   1.2300   4.2230   1.0820 -0.8667000 1.638000 
1 1 1    8   26    5 o   4.3740   0.8115   4.2970   1.2460   4.4510   1.0400 -0.1542000 1.623000 
1 1 1    8   26    6 o   2.3810   0.7411   2.9210   1.1950   1.8410   0.8764 1.080000 1.482000 
1 1 1    8   26    7 o   6.9990   0.7093   7.0000   1.0920   6.9980   0.9056 0.2413000E-02 1.419000 
1 1 1    8   26    8 f   4.0100   0.8517   4.1950   1.2450   3.8240   1.1630 0.3716000 1.703000 
1 1 1    8   26    9 o   5.9850   0.6635   6.0410   0.9861   5.9290   0.8882 0.1115000 1.327000 
1 1 1    8   26   10 o   4.3690   0.7226   4.0760   1.1200   4.6620   0.9133 -0.5856000 1.445000 
1 1 1    8   26   11 o   5.7710   0.5830   5.2970   0.9334   6.2440   0.6989 -0.9468000 1.166000 
1 1 1    8   26   12 o   7.1060   0.4874   8.1710   0.6366   6.0420   0.7383 2.130000 0.9749000 
1 1 1    8   26   13 o   3.2500   0.7663   2.6480   1.0970   3.8520   1.0710 -1.204000 1.533000 
1 1 1    8   26   14 o   5.6800   0.6344   4.5840   1.0830   6.7760   0.6619 -2.192000 1.269000 
1 1 1    8   26   15 o   2.5830   0.7589   2.5900   1.0950   2.5760   1.0510 0.1425000E-01 1.518000 
1 1 1    8   26   16 o   2.5590   0.8163   2.8360   1.2340   2.2830   1.0690 0.5525000 1.633000 
1 1 1    8   26   17 o   2.9540   0.8520   2.3590   1.0920   3.5490   1.3080 -1.190000 1.704000 
1 1 1    8   26   18 o   2.4600   0.8008   2.5320   1.1570   2.3890   1.1070 0.1421000 1.602000 
1 1 1    8   28    0 o   2.9170   0.7634   3.5970   1.1440   2.2370   1.0110 1.360000 1.527000 
1 1 1    8   28    1 o   5.8770   0.5545   6.2820   0.7806   5.4710   0.7878 0.8112000 1.109000 
1 1 1    8   28    2 o   2.5830   0.7287   2.7080   1.0470   2.4580   1.0140 0.2501000 1.457000 
1 1 1    8   28    3 o   5.1000   0.5968   5.1890   0.8188   5.0100   0.8684 0.1788000 1.194000 
1 1 1    8   28    4 o   2.2900   0.7104   2.3020   1.0230   2.2780   0.9863 0.2458000E-01 1.421000 
1 1 1    8   28    5 o   3.1950   0.7970   2.9970   1.1650   3.3940   1.0880 -0.3966000 1.594000 
1 1 1    8   28    6 o   4.2490   0.7584   4.8840   1.0730   3.6140   1.0720 1.270000 1.517000 
1 1 1    8   28    7 o   3.8120   0.7703   4.5470   1.0930   3.0780   1.0850 1.468000 1.541000 
1 1 1    8   28    8 o   2.3000   0.7072   2.7150   1.1080   1.8860   0.8796 0.8294000 1.414000 
1 1 1    8   28    9 o   2.4410   0.7268   2.2710   1.0150   2.6110   1.0400 -0.3399000 1.454000 
1 1 1    8   28   10 o   2.5660   0.7529   2.4660   1.0700   2.6660   1.0590 -0.1994000 1.506000 
1 1 1    8   28   11 o   3.4170   0.7913   4.2120   1.1360   2.6220   1.1020 1.590000 1.583000 
1 1 1    8   28   12 o   6.9330   0.6935   6.3940   1.0660   7.4710   0.8870 -1.077000 1.387000 
1 1 1    8   28   13 o   2.4040   0.7848   2.5450   1.1590   2.2620   1.0590 0.2831000 1.570000 
1 1 1    8   28   14 o   1.7200   0.5917   1.7330   0.8474   1.7060   0.8262 0.2696000E-01 1.183000 
1 1 1    8   30    0 f   3.7450   0.7746   2.6910   1.1260   4.7990   1.0640 -2.108000 1.549000 
1 1 1    8   30    1 o   2.6370   0.7643   2.1460   0.9910   3.1290   1.1640 -0.9822000 1.529000 
1 1 1    8   30    2 o   3.3470   0.8425   3.3830   1.1900   3.3110   1.1930 0.7215000E-01 1.685000 
1 1 1    8   30    3 o   4.2270   0.8008   4.9380   1.0650   3.5160   1.1960 1.422000 1.602000 
1 1 1    8   30    4 o   2.6240   0.7837   2.7900   1.1500   2.4580   1.0650 0.3320000 1.567000 
1 1 1    8   30    5 o   2.5070   0.7595   2.1490   1.0020   2.8640   1.1420 -0.7148000 1.519000 
1 1 1    8   30    6 o   4.9280   0.9060   4.7710   1.3590   5.0850   1.1990 -0.3139000 1.812000 
1 1 1    8   30    7 o   1.9390   0.6676   2.0910   1.0140   1.7870   0.8682 0.3043000 1.335000 
1 1 1    8   30    8 o   3.1640   0.8627   3.7840   1.3460   2.5440   1.0800 1.241000 1.725000 
1 1 1    9    1    0 o   32.460   0.1892   32.460   0.2677   32.470   0.2676 -0.1495000E-01 0.3785000 
1 1 1    9    1    1 o   35.110   0.2053   35.010   0.2895   35.210   0.2911 -0.2076000 0.4105000 
1 1 1    9    1    2 o   28.790   0.1923   28.880   0.2978   28.710   0.2434 0.1697000 0.3846000 
1 1 1    9    1    3 o   21.530   0.2088   21.630   0.3401   21.430   0.2424 0.2026000 0.4176000 
1 1 1    9    1    4 o   70.640   0.4078   70.580   0.5763   70.700   0.5771 -0.1267000 0.8156000 
1 1 1    9    1    5 o   20.800   0.1452   20.770   0.2055   20.820   0.2052 -0.5351000E-01 0.2904000 
1 1 1    9    1    6 o   12.640   0.1397   12.690   0.1986   12.580   0.1967 0.1084000 0.2795000 
1 1 1    9    1    7 o   40.530   0.2726   41.210   0.3512   39.850   0.4171 1.363000 0.5453000 
1 1 1    9    1    8 o   59.150   0.5230   58.750   0.5978   59.550   0.8584 -0.8008000 1.046000 
1 1 1    9    1    9 o   27.630   0.1742   27.210   0.2251   28.050   0.2659 -0.8392000 0.3484000 
1 1 1    9    1   10 o   8.3550   0.2094   8.7170   0.2615   7.9930   0.3271 0.7239000 0.4188000 
1 1 1    9    1   11 o   26.620   0.1759   26.560   0.2295   26.680   0.2666 -0.1222000 0.3518000 
1 1 1    9    1   12 o   23.610   0.1706   23.580   0.2226   23.630   0.2586 -0.4832000E-01 0.3412000 
1 1 1    9    1   13 o   20.770   0.1702   20.730   0.2221   20.820   0.2581 -0.8588000E-01 0.3405000 
1 1 1    9    1   14 o   29.040   0.2105   28.730   0.2952   29.360   0.3000 -0.6308000 0.4209000 
1 1 1    9    1   15 o   11.970   0.2428   11.800   0.3172   12.140   0.3676 -0.3392000 0.4855000 
1 1 1    9    1   16 o   14.180   0.2986   14.110   0.4222   14.250   0.4225 -0.1418000 0.5973000 
1 1 1    9    1   17 o   42.990   0.2607   42.940   0.3405   43.040   0.3949 -0.9525000E-01 0.5214000 
1 1 1    9    1   18 o   14.450   0.2576   14.220   0.3383   14.690   0.3886 -0.4661000 0.5152000 
1 1 1    9    1   19 o   27.560   0.2167   27.210   0.2816   27.920   0.3294 -0.7100000 0.4333000 
1 1 1    9    1   20 o   9.9920   0.5476   9.8610   0.6339   10.120   0.8932 -0.2630000 1.095000 
1 1 1    9    1   21 o   9.0840   0.3651   9.4310   0.4640   8.7370   0.5639 0.6936000 0.7302000 
1 1 1    9    1   22 o   14.990   0.2454   14.970   0.3251   15.000   0.3676 -0.3264000E-01 0.4907000 
1 1 1    9    1   23 o   14.730   0.2483   14.800   0.3272   14.660   0.3735 0.1379000 0.4966000 
1 1 1    9    1   24 o   14.350   0.2545   14.380   0.3342   14.310   0.3840 0.6685000E-01 0.5090000 
1 1 1    9    1   25 o   10.070   0.3202   9.8150   0.4312   10.320   0.4734 -0.5067000 0.6403000 
1 1 1    9    1   26 o   5.5790   0.5765   6.0980   0.6676   5.0590   0.9401 1.039000 1.153000 
1 1 1    9    1   27 o   6.0600   0.5597   6.5180   0.7389   5.6030   0.8409 0.9150000 1.119000 
1 1 1    9    1   28 o   5.9770   0.7058   6.1080   0.9744   5.8460   1.0220 0.2622000 1.412000 
1 1 1    9    1   29 o   3.2120   0.8189   3.1050   1.1480   3.3190   1.1680 -0.2135000 1.638000 
1 1 1    9    1   30 o   2.9220   0.7838   2.3770   1.0430   3.4680   1.1700 -1.091000 1.568000 
1 1 1    9    1   31 o   2.4180   0.7378   2.0520   0.9607   2.7850   1.1200 -0.7327000 1.476000 
1 1 1    9    1   32 o   2.6670   0.8847   3.2390   1.4290   2.0940   1.0430 1.144000 1.769000 
1 1 1    9    3    0 o   46.450   0.3013   46.390   0.4658   46.510   0.3824 -0.1257000 0.6027000 
1 1 1    9    3    1 o   43.370   0.2831   43.410   0.4382   43.330   0.3586 0.8587000E-01 0.5662000 
1 1 1    9    3    2 o   21.610   0.1764   21.780   0.2509   21.440   0.2481 0.3409000 0.3528000 
1 1 1    9    3    3 o   65.190   0.3774   65.780   0.5384   64.610   0.5289 1.170000 0.7548000 
1 1 1    9    3    4 o   81.600   0.4705   82.000   0.6684   81.210   0.6623 0.7876000 0.9409000 
1 1 1    9    3    5 o   24.270   0.1623   24.100   0.2286   24.430   0.2305 -0.3304000 0.3246000 
1 1 1    9    3    6 o   36.430   0.2231   36.360   0.3151   36.510   0.3159 -0.1509000 0.4462000 
1 1 1    9    3    7 o   16.540   0.2195   16.870   0.2638   16.210   0.3509 0.6591000 0.4390000 
1 1 1    9    3    8 o   44.520   0.2682   44.370   0.3782   44.670   0.3805 -0.2997000 0.5365000 
1 1 1    9    3    9 o   6.8450   0.2557   6.5190   0.3809   7.1700   0.3411 -0.6511000 0.5113000 
1 1 1    9    3   10 o   10.010   0.2003   9.9510   0.2859   10.070   0.2808 -0.1148000 0.4007000 
1 1 1    9    3   11 o   10.170   0.2119   10.390   0.2947   9.9480   0.3046 0.4471000 0.4238000 
1 1 1    9    3   12 o   17.250   0.1809   17.160   0.2550   17.340   0.2566 -0.1874000 0.3618000 
1 1 1    9    3   13 o   21.020   0.1737   20.990   0.2272   21.050   0.2627 -0.5288000E-01 0.3473000 
1 1 1    9    3   14 o   34.160   0.2447   33.650   0.2797   34.670   0.4017 -1.026000 0.4895000 
1 1 1    9    3   15 o   9.5870   0.3021   9.5360   0.4178   9.6380   0.4365 -0.1023000 0.6042000 
1 1 1    9    3   16 o   14.770   0.2897   14.670   0.4078   14.880   0.4117 -0.2023000 0.5795000 
1 1 1    9    3   17 o   9.7140   0.3217   9.5810   0.4272   9.8460   0.4810 -0.2653000 0.6433000 
1 1 1    9    3   18 o   8.9570   0.3673   9.1290   0.4648   8.7840   0.5690 0.3451000 0.7347000 
1 1 1    9    3   19 o   15.370   0.2452   15.430   0.3179   15.310   0.3735 0.1280000 0.4904000 
1 1 1    9    3   20 o   2.7360   0.8532   2.8760   1.2000   2.5970   1.2130 0.2786000 1.706000 
1 1 1    9    3   21 o   20.610   0.2155   20.350   0.2824   20.880   0.3257 -0.5267000 0.4311000 
1 1 1    9    3   22 o   6.8280   0.4463   6.7960   0.5938   6.8610   0.6665 -0.6512000E-01 0.8927000 
1 1 1    9    3   23 o   13.290   0.2611   13.310   0.3414   13.280   0.3951 0.3944000E-01 0.5222000 
1 1 1    9    3   24 o   8.6590   0.4014   8.2160   0.4984   9.1030   0.6294 -0.8865000 0.8028000 
1 1 1    9    3   25 o   7.5710   0.4033   7.3230   0.5411   7.8190   0.5981 -0.4961000 0.8066000 
1 1 1    9    3   26 o   5.4570   0.5618   5.0770   0.7914   5.8380   0.7977 -0.7611000 1.124000 
1 1 1    9    3   27 o   6.2060   0.5062   6.3250   0.6478   6.0860   0.7781 0.2387000 1.012000 
1 1 1    9    3   28 o   3.0840   0.8594   3.1100   1.2110   3.0590   1.2190 0.5107000E-01 1.719000 
1 1 1    9    3   29 o   6.9990   0.4833   6.8170   0.6682   7.1820   0.6984 -0.3659000 0.9666000 
1 1 1    9    3   30 o   2.1840   0.6947   2.2880   0.9989   2.0800   0.9657 0.2080000 1.389000 
1 1 1    9    3   31 o   2.8330   0.7732   3.1750   1.1100   2.4910   1.0770 0.6834000 1.546000 
1 1 1    9    3   32 o   2.9100   0.9118   2.1460   1.0360   3.6740   1.5010 -1.528000 1.824000 
1 1 1    9    5    0 o   45.230   0.2678   45.320   0.3795   45.130   0.3778 0.1877000 0.5355000 
1 1 1    9    5    1 o   28.250   0.1670   27.710   0.2486   28.780   0.2230 -1.067000 0.3340000 
1 1 1    9    5    2 o   60.430   0.3518   60.440   0.4974   60.420   0.4977 0.1632000E-01 0.7036000 
1 1 1    9    5    3 o   92.490   0.5329   92.680   0.7553   92.290   0.7520 0.3909000 1.066000 
1 1 1    9    5    4 o   35.270   0.2174   35.480   0.3089   35.060   0.3059 0.4247000 0.4347000 
1 1 1    9    5    5 f   44.800   0.2992   44.630   0.3780   44.970   0.4640 -0.3489000 0.5985000 
1 1 1    9    5    6 o   26.660   0.2677   26.690   0.3187   26.630   0.4303 0.6376000E-01 0.5355000 
1 1 1    9    5    7 o   28.630   0.1915   28.930   0.2732   28.330   0.2684 0.6017000 0.3830000 
1 1 1    9    5    8 o   2.8700   0.5204   2.1880   0.7996   3.5510   0.6664 -1.363000 1.041000 
1 1 1    9    5    9 o   31.070   0.2061   30.990   0.2917   31.150   0.2913 -0.1574000 0.4123000 
1 1 1    9    5   10 o   26.490   0.1909   26.520   0.2705   26.470   0.2695 0.4636000E-01 0.3818000 
1 1 1    9    5   11 o   16.100   0.1833   16.450   0.2592   15.750   0.2593 0.6989000 0.3666000 
1 1 1    9    5   12 o   10.550   0.2349   10.870   0.3251   10.240   0.3392 0.6377000 0.4698000 
1 1 1    9    5   13 o   28.800   0.2108   28.800   0.2991   28.800   0.2972 -0.5501000E-02 0.4216000 
1 1 1    9    5   14 o   10.300   0.2824   9.9830   0.4083   10.620   0.3904 -0.6322000 0.5649000 
1 1 1    9    5   15 o   15.700   0.3347   15.720   0.5347   15.680   0.4028 0.3953000E-01 0.6694000 
1 1 1    9    5   16 o   18.620   0.2243   18.370   0.3189   18.870   0.3156 -0.4961000 0.4486000 
1 1 1    9    5   17 o   21.710   0.2275   21.520   0.3237   21.890   0.3197 -0.3735000 0.4550000 
1 1 1    9    5   18 o   10.290   0.3289   10.520   0.4194   10.060   0.5067 0.4553000 0.6578000 
1 1 1    9    5   19 o   16.150   0.2378   16.500   0.3062   15.800   0.3639 0.7042000 0.4756000 
1 1 1    9    5   20 o   7.9300   0.6686   8.7110   0.7066   7.1480   1.1350 1.563000 1.337000 
1 1 1    9    5   21 o   12.180   0.2795   12.650   0.3543   11.710   0.4323 0.9391000 0.5589000 
1 1 1    9    5   22 o   11.120   0.2955   10.930   0.3999   11.320   0.4351 -0.3957000 0.5910000 
1 1 1    9    5   23 o   6.0570   0.5107   6.3770   0.6355   5.7370   0.7996 0.6405000 1.021000 
1 1 1    9    5   24 o   8.6510   0.3618   8.6670   0.4772   8.6350   0.5441 0.3196000E-01 0.7237000 
1 1 1    9    5   25 o   2.0890   0.6556   2.2760   0.9606   1.9020   0.8924 0.3746000 1.311000 
1 1 1    9    5   26 o   3.0890   0.6261   4.4130   0.9221   1.7650   0.8473 2.647000 1.252000 
1 1 1    9    5   27 o   4.5980   0.8286   4.9720   1.1110   4.2230   1.2290 0.7494000 1.657000 
1 1 1    9    5   28 o   6.6130   0.4861   6.6550   0.6407   6.5700   0.7313 0.8497000E-01 0.9723000 
1 1 1    9    5   29 o   5.4510   0.6063   5.4360   0.8108   5.4650   0.9016 -0.2927000E-01 1.213000 
1 1 1    9    5   30 o   1.9730   0.6498   1.6300   0.7965   2.3160   1.0270 -0.6859000 1.300000 
1 1 1    9    5   31 o   2.3700   0.8032   2.0250   0.9904   2.7150   1.2650 -0.6905000 1.606000 
1 1 1    9    5   32 o   3.5300   0.8211   3.6000   1.1250   3.4590   1.1970 0.1410000 1.642000 
1 1 1    9    7    0 o   41.980   0.2198   41.800   0.3094   42.160   0.3123 -0.3605000 0.4396000 
1 1 1    9    7    1 o   34.870   0.2033   34.830   0.2667   34.910   0.3069 -0.8892000E-01 0.4066000 
1 1 1    9    7    2 o   32.310   0.2050   31.980   0.2880   32.640   0.2917 -0.6590000 0.4099000 
1 1 1    9    7    3 o   21.400   0.1793   21.060   0.2282   21.730   0.2766 -0.6718000 0.3586000 
1 1 1    9    7    4 o   41.110   0.4358   41.110   0.4358  ?   ?       ?      ? 
1 1 1    9    7    5 o   9.7750   0.2371   10.470   0.3218   9.0800   0.3484 1.390000 0.4743000 
1 1 1    9    7    6 o   23.040   0.1752   22.650   0.2440   23.430   0.2514 -0.7828000 0.3504000 
1 1 1    9    7    7 o   12.460   0.1940   12.880   0.2530   12.040   0.2941 0.8465000 0.3880000 
1 1 1    9    7    8 o   13.000   0.1837   13.000   0.2613   13.000   0.2583 0.9584000E-03 0.3674000 
1 1 1    9    7    9 o   11.950   0.2033   12.020   0.2889   11.870   0.2862 0.1453000 0.4067000 
1 1 1    9    7   10 o   38.070   0.2443   37.900   0.3453   38.240   0.3458 -0.3353000 0.4887000 
1 1 1    9    7   11 o   29.190   0.2082   29.210   0.2958   29.160   0.2931 0.5750000E-01 0.4164000 
1 1 1    9    7   12 o   9.8810   0.2628   9.6480   0.3822   10.110   0.3607 -0.4651000 0.5255000 
1 1 1    9    7   13 o   21.500   0.2049   21.570   0.2909   21.430   0.2887 0.1440000 0.4099000 
1 1 1    9    7   14 o   21.290   0.3126   21.800   0.5024   20.770   0.3722 1.025000 0.6253000 
1 1 1    9    7   15 o   41.180   0.2706   41.030   0.3827   41.340   0.3826 -0.3166000 0.5411000 
1 1 1    9    7   16 o   9.2690   0.3697   9.3800   0.5116   9.1580   0.5337 0.2214000 0.7393000 
1 1 1    9    7   17 o   15.440   0.2643   15.960   0.3653   14.920   0.3820 1.042000 0.5286000 
1 1 1    9    7   18 f   31.560   0.2415   31.530   0.3420   31.590   0.3411 -0.6256000E-01 0.4830000 
1 1 1    9    7   19 o   9.1170   0.5904   9.9980   0.6374   8.2350   0.9940 1.764000 1.181000 
1 1 1    9    7   20 o   6.6710   0.4999   6.4540   0.7444   6.8880   0.6674 -0.4336000 0.9998000 
1 1 1    9    7   21 o   16.260   0.2527   16.370   0.3590   16.140   0.3556 0.2353000 0.5053000 
1 1 1    9    7   22 o   3.3730   0.7448   3.9350   1.0100   2.8100   1.0950 1.125000 1.490000 
1 1 1    9    7   23 o   2.2850   0.6854   2.5970   1.0170   1.9730   0.9194 0.6244000 1.371000 
1 1 1    9    7   24 o   5.1440   0.5955   5.0610   0.7898   5.2280   0.8913 -0.1672000 1.191000 
1 1 1    9    7   25 o   7.8900   0.3934   8.1230   0.5035   7.6570   0.6047 0.4661000 0.7869000 
1 1 1    9    7   26 o   4.7450   0.6514   4.6800   0.8659   4.8110   0.9735 -0.1304000 1.303000 
1 1 1    9    7   27 o   6.3670   0.6698   6.4670   0.9288   6.2660   0.9653 0.2009000 1.340000 
1 1 1    9    7   28 o   2.8100   0.7693   2.6620   1.0430   2.9590   1.1310 -0.2977000 1.539000 
1 1 1    9    7   29 o   4.1060   0.7515   4.6610   0.9400   3.5510   1.1730 1.110000 1.503000 
1 1 1    9    7   30 f   2.7660   0.7809   2.8410   1.1000   2.6920   1.1090 0.1493000 1.562000 
1 1 1    9    7   31 o   2.5210   0.8254   1.9500   0.9585   3.0910   1.3440 -1.141000 1.651000 
1 1 1    9    7   32 o   2.5830   1.2460   2.5830   1.2460  ?   ?       ?      ? 
1 1 1    9    9    0 o   31.360   0.2073   31.360   0.2933   31.360   0.2931 0.1894000E-02 0.4146000 
1 1 1    9    9    1 o   23.300   0.1776   23.390   0.2510   23.210   0.2512 0.1794000 0.3552000 
1 1 1    9    9    2 o   33.330   0.2169   32.600   0.3010   34.050   0.3124 -1.447000 0.4338000 
1 1 1    9    9    3 o   13.580   0.1653   13.590   0.2460   13.560   0.2209 0.3733000E-01 0.3306000 
1 1 1    9    9    4 o   7.7660   0.2512   7.4940   0.3597   8.0380   0.3508 -0.5439000 0.5024000 
1 1 1    9    9    5 o   14.570   0.1782   14.160   0.2527   14.990   0.2514 -0.8352000 0.3564000 
1 1 1    9    9    6 o   11.330   0.2049   11.350   0.2890   11.300   0.2905 0.4667000E-01 0.4098000 
1 1 1    9    9    7 o   38.020   0.2434   38.160   0.3449   37.880   0.3435 0.2864000 0.4868000 
1 1 1    9    9    8 o   28.200   0.2041   28.420   0.2889   27.970   0.2886 0.4449000 0.4083000 
1 1 1    9    9    9 o   20.650   0.1900   20.860   0.2671   20.440   0.2703 0.4252000 0.3800000 
1 1 1    9    9   10 o   25.710   0.2009   25.870   0.2856   25.550   0.2825 0.3261000 0.4017000 
1 1 1    9    9   11 o   33.560   0.2310   33.600   0.3274   33.520   0.3259 0.7454000E-01 0.4619000 
1 1 1    9    9   12 o   48.270   0.3348   48.400   0.5182   48.150   0.4241 0.2452000 0.6696000 
1 1 1    9    9   13 o   7.9440   0.5446   8.3800   0.7867   7.5090   0.7533 0.8702000 1.089000 
1 1 1    9    9   14 o   8.8450   0.3666   8.6690   0.5453   9.0210   0.4900 -0.3520000 0.7331000 
1 1 1    9    9   15 o   25.170   0.2276   25.380   0.3248   24.960   0.3188 0.4209000 0.4551000 
1 1 1    9    9   16 o   28.490   0.2353   28.860   0.3337   28.130   0.3319 0.7232000 0.4707000 
1 1 1    9    9   17 o   2.8760   0.7951   2.6360   1.1010   3.1160   1.1480 -0.4805000 1.590000 
1 1 1    9    9   18 o   7.8400   0.6395   8.0090   0.7899   7.6710   1.0060 0.3375000 1.279000 
1 1 1    9    9   19 o   13.870   0.2777   13.690   0.3979   14.060   0.3876 -0.3720000 0.5555000 
1 1 1    9    9   20 o   16.320   0.2523   16.920   0.3508   15.710   0.3626 1.217000 0.5046000 
1 1 1    9    9   21 o   6.3800   0.5211   6.3750   0.7392   6.3840   0.7348 -0.9171000E-02 1.042000 
1 1 1    9    9   22 o   6.0140   0.5522   5.6690   0.8418   6.3590   0.7147 -0.6904000 1.104000 
1 1 1    9    9   23 o   7.4600   0.4449   7.4930   0.6338   7.4260   0.6245 0.6685000E-01 0.8898000 
1 1 1    9    9   24 o   3.0620   0.7820   3.3400   1.1270   2.7830   1.0840 0.5567000 1.564000 
1 1 1    9    9   25 o   5.7990   0.5708   5.5100   0.8255   6.0890   0.7884 -0.5791000 1.142000 
1 1 1    9    9   26 o   5.0720   0.8324   5.2030   1.1360   4.9410   1.2170 0.2621000 1.665000 
1 1 1    9    9   27 f   6.8030   0.4810   6.7540   0.6553   6.8510   0.7043 -0.9656000E-01 0.9620000 
1 1 1    9    9   28 o   3.4850   0.8088   3.1030   1.1050   3.8680   1.1820 -0.7649000 1.618000 
1 1 1    9    9   29 o   3.3150   0.8082   3.1020   1.1100   3.5280   1.1750 -0.4252000 1.616000 
1 1 1    9    9   30 o   2.9720   0.8803   3.6710   1.3660   2.2740   1.1110 1.398000 1.761000 
1 1 1    9    9   31 o   4.0910   0.7870   3.6420   1.1210   4.5390   1.1050 -0.8971000 1.574000 
1 1 1    9   11    0 o   23.430   0.1626   23.590   0.2305   23.280   0.2294 0.3105000 0.3252000 
1 1 1    9   11    1 o   19.510   0.1581   19.700   0.2237   19.320   0.2236 0.3738000 0.3163000 
1 1 1    9   11    2 o   11.520   0.1863   11.630   0.2612   11.410   0.2658 0.2231000 0.3727000 
1 1 1    9   11    3 o   11.110   0.2056   11.330   0.3038   10.890   0.2770 0.4466000 0.4111000 
1 1 1    9   11    4 o   13.240   0.2074   13.430   0.2799   13.050   0.3062 0.3857000 0.4148000 
1 1 1    9   11    5 o   13.080   0.2079   13.420   0.2900   12.750   0.2979 0.6720000 0.4158000 
1 1 1    9   11    6 o   8.5470   0.2805   8.3940   0.3966   8.6990   0.3968 -0.3047000 0.5610000 
1 1 1    9   11    7 o   12.770   0.2198   12.390   0.3119   13.160   0.3097 -0.7642000 0.4396000 
1 1 1    9   11    8 o   14.850   0.2254   15.160   0.3380   14.540   0.2982 0.6178000 0.4508000 
1 1 1    9   11    9 o   49.700   0.3077   49.510   0.4337   49.890   0.4366 -0.3811000 0.6154000 
1 1 1    9   11   10 o   27.140   0.2368   27.220   0.3604   27.060   0.3074 0.1618000 0.4737000 
1 1 1    9   11   11 o   69.320   0.6210   68.950   1.0100   69.700   0.7221 -0.7515000 1.242000 
1 1 1    9   11   12 o   24.610   0.2719   24.680   0.3854   24.540   0.3835 0.1320000 0.5437000 
1 1 1    9   11   13 o   7.9550   0.4140   7.8440   0.5954   8.0660   0.5754 -0.2216000 0.8280000 
1 1 1    9   11   14 o   18.150   0.2398   18.140   0.3426   18.160   0.3358 -0.2817000E-01 0.4797000 
1 1 1    9   11   15 o   31.390   0.2422   31.290   0.3434   31.490   0.3416 -0.1974000 0.4844000 
1 1 1    9   11   16 o   16.970   0.2536   16.720   0.3647   17.220   0.3525 -0.4978000 0.5072000 
1 1 1    9   11   17 o   15.050   0.3969   15.050   0.5170   15.050   0.6024 -0.7515000E-03 0.7938000 
1 1 1    9   11   18 o   12.290   0.3076   11.950   0.4544   12.620   0.4146 -0.6679000 0.6151000 
1 1 1    9   11   19 o   20.860   0.2380   20.680   0.3432   21.030   0.3298 -0.3487000 0.4760000 
1 1 1    9   11   20 o   10.680   0.3312   10.570   0.4758   10.790   0.4610 -0.2210000 0.6625000 
1 1 1    9   11   21 o   6.0870   0.5492   6.4720   0.7267   5.7020   0.8235 0.7702000 1.098000 
1 1 1    9   11   22 o   11.420   0.3161   11.520   0.4479   11.310   0.4461 0.2124000 0.6321000 
1 1 1    9   11   23 o   5.8560   0.5578   6.0950   0.7546   5.6160   0.8218 0.4791000 1.116000 
1 1 1    9   11   24 o   3.2450   0.7503   2.4260   1.0410   4.0630   1.0810 -1.637000 1.501000 
1 1 1    9   11   25 o   9.4190   0.5415   10.680   0.7922   8.1590   0.7383 2.520000 1.083000 
1 1 1    9   11   26 o   4.2400   0.7650   4.7240   1.0520   3.7570   1.1110 0.9673000 1.530000 
1 1 1    9   11   27 o   3.9030   0.7340   5.1670   0.9624   2.6390   1.1090 2.528000 1.468000 
1 1 1    9   11   28 o   1.9750   0.6593   1.8850   0.9018   2.0650   0.9620 -0.1808000 1.319000 
1 1 1    9   11   29 o   2.3650   0.7156   2.8490   1.1100   1.8820   0.9033 0.9665000 1.431000 
1 1 1    9   11   30 o   1.5720   0.7839   1.5720   0.7839  ?   ?       ?      ? 
1 1 1    9   13    0 o   43.330   0.2370   43.110   0.3339   43.550   0.3365 -0.4457000 0.4741000 
1 1 1    9   13    1 o   5.4750   0.3888   5.5060   0.5404   5.4450   0.5593 0.6139000E-01 0.7777000 
1 1 1    9   13    2 o   41.350   0.2294   41.220   0.3235   41.480   0.3255 -0.2656000 0.4589000 
1 1 1    9   13    3 o   16.240   0.1931   16.470   0.2883   16.020   0.2568 0.4467000 0.3862000 
1 1 1    9   13    4 o   18.920   0.1894   18.800   0.2872   19.030   0.2468 -0.2261000 0.3787000 
1 1 1    9   13    5 o   34.400   0.2210   34.660   0.3353   34.130   0.2881 0.5203000 0.4420000 
1 1 1    9   13    6 o   17.300   0.1973   17.200   0.2975   17.400   0.2593 -0.2032000 0.3947000 
1 1 1    9   13    7 o   19.530   0.2121   19.380   0.2994   19.680   0.3004 -0.3013000 0.4241000 
1 1 1    9   13    8 o   31.900   0.2790   32.140   0.3932   31.660   0.3958 0.4872000 0.5579000 
1 1 1    9   13    9 o   33.650   0.3536   32.950   0.5659   34.350   0.4240 -1.398000 0.7072000 
1 1 1    9   13   10 o   39.960   0.3310   40.350   0.4702   39.560   0.4659 0.7956000 0.6619000 
1 1 1    9   13   11 o   34.900   0.2504   34.780   0.3527   35.020   0.3555 -0.2442000 0.5007000 
1 1 1    9   13   12 o   31.820   0.2418   31.930   0.3416   31.720   0.3424 0.2080000 0.4836000 
1 1 1    9   13   13 o   10.660   0.3340   10.800   0.4684   10.530   0.4763 0.2711000 0.6680000 
1 1 1    9   13   14 o   11.590   0.3147   11.730   0.4395   11.450   0.4505 0.2794000 0.6294000 
1 1 1    9   13   15 o   12.980   0.4251   12.150   0.5651   13.810   0.6351 -1.651000 0.8501000 
1 1 1    9   13   16 o   26.620   0.2919   26.870   0.4198   26.360   0.4056 0.5111000 0.5838000 
1 1 1    9   13   17 o   8.7030   0.3904   8.7970   0.5533   8.6100   0.5508 0.1867000 0.7807000 
1 1 1    9   13   18 o   14.270   0.2715   14.550   0.3833   13.990   0.3847 0.5640000 0.5430000 
1 1 1    9   13   19 o   5.1560   0.6338   5.2170   0.8885   5.0950   0.9041 0.1225000 1.268000 
1 1 1    9   13   20 o   5.6500   0.5977   5.4580   0.8962   5.8420   0.7912 -0.3831000 1.195000 
1 1 1    9   13   21 o   13.380   0.2906   13.340   0.4245   13.410   0.3971 -0.7224000E-01 0.5813000 
1 1 1    9   13   22 o   7.4910   0.4639   6.9100   0.7293   8.0730   0.5737 -1.163000 0.9279000 
1 1 1    9   13   23 o   8.7200   0.3998   8.9070   0.5678   8.5330   0.5630 0.3734000 0.7996000 
1 1 1    9   13   24 o   4.7380   0.9352   4.7880   1.3940   4.6880   1.2470 0.1000000 1.870000 
1 1 1    9   13   25 o   4.9610   0.7020   4.9050   1.0260   5.0160   0.9583 -0.1114000 1.404000 
1 1 1    9   13   26 o   3.3900   0.7420   2.2660   1.0140   4.5130   1.0830 -2.247000 1.484000 
1 1 1    9   13   27 o   2.6170   0.7475   1.9950   0.9375   3.2400   1.1650 -1.245000 1.495000 
1 1 1    9   13   28 o   4.4400   0.7722   3.4380   1.2100   5.4420   0.9598 -2.003000 1.544000 
1 1 1    9   13   29 o   1.8750   0.6630   1.7040   0.8555   2.0460   1.0130 -0.3427000 1.326000 
1 1 1    9   15    0 o   11.220   0.3115   10.520   0.5033   11.930   0.3671 -1.413000 0.6230000 
1 1 1    9   15    1 o   17.370   0.2160   17.530   0.3062   17.210   0.3047 0.3207000 0.4320000 
1 1 1    9   15    2 o   11.850   0.2608   11.800   0.3702   11.910   0.3676 -0.1108000 0.5217000 
1 1 1    9   15    3 o   27.940   0.3097  ?   ?    27.940   0.3097      ?      ? 
1 1 1    9   15    4 o   17.550   0.2436   17.830   0.3735   17.270   0.3129 0.5505000 0.4872000 
1 1 1    9   15    5 o   47.370   0.5219  ?   ?    47.370   0.5219      ?      ? 
1 1 1    9   15    6 o   34.920   0.2795   34.540   0.4304   35.310   0.3568 -0.7711000 0.5590000 
1 1 1    9   15    7 o   19.820   0.2430   20.190   0.3960   19.440   0.2817 0.7532000 0.4860000 
1 1 1    9   15    8 o   32.520   0.2422   32.360   0.3402   32.680   0.3448 -0.3175000 0.4844000 
1 1 1    9   15    9 o   20.490   0.2645   20.670   0.4086   20.310   0.3361 0.3630000 0.5291000 
1 1 1    9   15   10 o   7.6460   0.4574   7.8400   0.6201   7.4530   0.6725 0.3872000 0.9147000 
1 1 1    9   15   11 o   30.320   0.2400   29.860   0.3378   30.780   0.3409 -0.9237000 0.4799000 
1 1 1    9   15   12 o   20.880   0.2372   20.690   0.3316   21.080   0.3393 -0.3851000 0.4745000 
1 1 1    9   15   13 o   16.910   0.3633   16.330   0.4665   17.490   0.5570 -1.155000 0.7266000 
1 1 1    9   15   14 o   12.700   0.3743   12.890   0.5386   12.510   0.5200 0.3779000 0.7487000 
1 1 1    9   15   15 o   13.160   0.2833   13.330   0.3991   12.990   0.4023 0.3408000 0.5667000 
1 1 1    9   15   16 f   5.7120   0.5851   6.0200   0.7738   5.4050   0.8778 0.6149000 1.170000 
1 1 1    9   15   17 o   11.440   0.3140   11.300   0.4572   11.580   0.4307 -0.2814000 0.6281000 
1 1 1    9   15   18 o   9.0250   0.4512   9.5720   0.5126   8.4780   0.7428 1.094000 0.9025000 
1 1 1    9   15   19 o   9.7070   0.3568   9.8530   0.5038   9.5620   0.5053 0.2911000 0.7135000 
1 1 1    9   15   20 o   7.4650   0.4428   7.0760   0.6684   7.8550   0.5809 -0.7790000 0.8856000 
1 1 1    9   15   21 o   6.7600   0.4975   6.8230   0.7137   6.6980   0.6931 0.1248000 0.9949000 
1 1 1    9   15   22 o   10.390   0.3481   10.830   0.4833   9.9540   0.5011 0.8763000 0.6961000 
1 1 1    9   15   23 o   7.6800   0.7096   6.6550   1.2220   8.7040   0.7214 -2.049000 1.419000 
1 1 1    9   15   24 o   3.4310   0.8036   3.0030   1.1370   3.8590   1.1360 -0.8565000 1.607000 
1 1 1    9   15   25 o   2.5720   0.7574   2.7340   1.0960   2.4110   1.0450 0.3230000 1.515000 
1 1 1    9   15   26 o   3.2010   0.7996   2.6340   1.0980   3.7680   1.1620 -1.134000 1.599000 
1 1 1    9   15   27 o   4.8860   0.9047   5.9050   1.2630   3.8670   1.2960 2.037000 1.809000 
1 1 1    9   15   28 o   2.7550   0.8259   2.7990   1.1580   2.7110   1.1780 0.8719000E-01 1.652000 
1 1 1    9   17    0 o   17.450   0.2423   18.110   0.3352   16.800   0.3501 1.302000 0.4847000 
1 1 1    9   17    1 o   37.470   0.2616   37.380   0.3688   37.560   0.3711 -0.1775000 0.5232000 
1 1 1    9   17    2 o   22.980   0.1985   23.110   0.2799   22.850   0.2816 0.2535000 0.3971000 
1 1 1    9   17    3 o   9.9270   0.3034   10.030   0.4206   9.8180   0.4375 0.2168000 0.6069000 
1 1 1    9   17    4 o   36.810   0.2434   36.710   0.3677   36.920   0.3189 -0.2078000 0.4867000 
1 1 1    9   17    5 o   26.120   0.2191   26.660   0.3332   25.580   0.2845 1.077000 0.4382000 
1 1 1    9   17    6 o   8.5160   0.3859   8.4130   0.5967   8.6180   0.4897 -0.2045000 0.7719000 
1 1 1    9   17    7 o   15.020   0.2446   15.110   0.3666   14.930   0.3240 0.1827000 0.4893000 
1 1 1    9   17    8 o   23.320   0.2164   22.920   0.3254   23.730   0.2853 -0.8105000 0.4328000 
1 1 1    9   17    9 o   18.140   0.2404   17.930   0.3412   18.360   0.3389 -0.4357000 0.4809000 
1 1 1    9   17   10 o   18.900   0.2876   18.180   0.4018   19.610   0.4115 -1.423000 0.5752000 
1 1 1    9   17   11 o   14.960   0.4848   14.960   0.4848  ?   ?       ?      ? 
1 1 1    9   17   12 o   21.190   0.2778   21.580   0.4307   20.790   0.3510 0.7943000 0.5556000 
1 1 1    9   17   13 o   8.5220   0.4055   8.7920   0.5698   8.2520   0.5771 0.5400000 0.8110000 
1 1 1    9   17   14 o   6.1140   0.5716   6.6470   0.7323   5.5810   0.8780 1.066000 1.143000 
1 1 1    9   17   15 o   13.260   0.2907   12.760   0.4164   13.750   0.4057 -0.9900000 0.5813000 
1 1 1    9   17   16 o   5.1660   0.6531   5.8810   0.7916   4.4510   1.0390 1.429000 1.306000 
1 1 1    9   17   17 o   5.3600   0.6290   5.4900   0.8574   5.2290   0.9205 0.2607000 1.258000 
1 1 1    9   17   18 o   7.5850   0.4391   7.5200   0.6218   7.6490   0.6203 -0.1285000 0.8783000 
1 1 1    9   17   19 o   3.2490   0.7360   4.1490   1.0680   2.3480   1.0130 1.801000 1.472000 
1 1 1    9   17   20 o   1.9480   0.6365   2.2630   0.9938   1.6330   0.7956 0.6295000 1.273000 
1 1 1    9   17   21 o   8.1900   0.6110   8.6080   0.9136   7.7710   0.8115 0.8372000 1.222000 
1 1 1    9   17   22 o   3.9800   0.7856   2.8540   1.2520   5.1070   0.9495 -2.254000 1.571000 
1 1 1    9   17   23 o   6.8560   0.5051   7.0480   0.7055   6.6650   0.7230 0.3835000 1.010000 
1 1 1    9   17   24 o   2.3270   0.7096   2.9250   1.1430   1.7290   0.8414 1.196000 1.419000 
1 1 1    9   17   25 o   3.8140   0.7222   2.3650   1.0930   5.2630   0.9440 -2.899000 1.444000 
1 1 1    9   17   26 o   2.2320   0.7573   1.7500   0.8764   2.7140   1.2350 -0.9633000 1.515000 
1 1 1    9   17   27 o   2.3460   0.7172   1.7730   0.8656   2.9200   1.1440 -1.147000 1.434000 
1 1 1    9   19    0 o   22.660   0.2054   22.510   0.2913   22.810   0.2896 -0.3056000 0.4108000 
1 1 1    9   19    1 o   19.930   0.2078   19.910   0.2895   19.950   0.2982 -0.3814000E-01 0.4156000 
1 1 1    9   19    2 o   9.3220   0.3267   9.1050   0.4679   9.5390   0.4561 -0.4336000 0.6534000 
1 1 1    9   19    3 o   12.180   0.3065   12.190   0.4394   12.170   0.4275 0.1533000E-01 0.6130000 
1 1 1    9   19    4 o   8.3400   0.4232   8.3630   0.6211   8.3170   0.5750 0.4585000E-01 0.8464000 
1 1 1    9   19    5 o   16.940   0.2561   17.320   0.3720   16.550   0.3520 0.7667000 0.5121000 
1 1 1    9   19    6 o   8.3300   0.4077   8.2560   0.5954   8.4040   0.5573 -0.1478000 0.8155000 
1 1 1    9   19    7 o   9.9610   0.4115   10.220   0.6345   9.7040   0.5241 0.5138000 0.8230000 
1 1 1    9   19    8 o   5.9070   0.6831   5.9450   1.0780   5.8690   0.8395 0.7616000E-01 1.366000 
1 1 1    9   19    9 o   6.3450   0.4980   6.3960   0.7492   6.2950   0.6564 0.1012000 0.9961000 
1 1 1    9   19   10 o   4.5960   0.6875   3.7540   1.1470   5.4380   0.7584 -1.684000 1.375000 
1 1 1    9   19   11 o   7.2150   0.4576   8.4380   0.5896   5.9910   0.6999 2.448000 0.9152000 
1 1 1    9   19   12 o   12.670   0.3080   12.260   0.4463   13.070   0.4248 -0.8006000 0.6161000 
1 1 1    9   19   13 o   5.0010   0.6793   4.0910   1.0840   5.9110   0.8193 -1.819000 1.359000 
1 1 1    9   19   14 o   12.820   0.3082   13.460   0.4139   12.190   0.4567 1.270000 0.6164000 
1 1 1    9   19   15 o   8.3020   0.4224   8.0880   0.6016   8.5170   0.5932 -0.4291000 0.8449000 
1 1 1    9   19   16 o   2.5860   0.7436   2.1380   0.9659   3.0340   1.1310 -0.8963000 1.487000 
1 1 1    9   19   17 o   3.9510   0.7388   3.0740   1.1170   4.8270   0.9678 -1.753000 1.478000 
1 1 1    9   19   18 o   5.7180   0.5810   6.1430   0.7685   5.2940   0.8715 0.8490000 1.162000 
1 1 1    9   19   19 o   2.7780   0.8517   2.6750   1.1970   2.8810   1.2110 -0.2060000 1.703000 
1 1 1    9   19   20 f   4.2340   0.9472   4.9500   1.3740   3.5170   1.3040 1.433000 1.894000 
1 1 1    9   19   21 o   3.9610   0.7772   3.3600   1.1530   4.5620   1.0420 -1.202000 1.554000 
1 1 1    9   19   22 o   3.7220   0.8195   3.4810   1.1810   3.9630   1.1360 -0.4824000 1.639000 
1 1 1    9   19   23 o   6.4590   0.5700   7.1980   0.7168   5.7190   0.8865 1.479000 1.140000 
1 1 1    9   19   24 o   2.0710   0.6813   1.9920   0.9416   2.1510   0.9850 -0.1593000 1.363000 
1 1 1    9   19   25 o   1.9210   0.6743   1.8310   0.9111   2.0120   0.9944 -0.1807000 1.349000 
1 1 1    9   21    0 o   16.400   0.2659   16.330   0.3759   16.470   0.3761 -0.1418000 0.5317000 
1 1 1    9   21    1 o   12.430   0.3109   12.210   0.4453   12.650   0.4340 -0.4471000 0.6218000 
1 1 1    9   21    2 o   13.400   0.2958   13.770   0.4102   13.030   0.4263 0.7473000 0.5916000 
1 1 1    9   21    3 o   13.150   0.2561   13.130   0.3603   13.170   0.3641 -0.3710000E-01 0.5122000 
1 1 1    9   21    4 o   3.2050   0.7882   3.2220   1.1580   3.1880   1.0700 0.3402000E-01 1.576000 
1 1 1    9   21    5 o   4.7140   0.6762   4.9620   0.9970   4.4660   0.9136 0.4960000 1.352000 
1 1 1    9   21    6 o   11.150   0.3138   10.760   0.4901   11.530   0.3921 -0.7682000 0.6276000 
1 1 1    9   21    7 o   9.2410   0.3571   9.1170   0.5490   9.3660   0.4567 -0.2483000 0.7141000 
1 1 1    9   21    8 o   16.020   0.2486   16.570   0.3748   15.480   0.3268 1.096000 0.4973000 
1 1 1    9   21    9 o   2.9800   0.7323   2.4160   1.0340   3.5430   1.0370 -1.128000 1.465000 
1 1 1    9   21   10 o   8.0600   0.4022   7.5950   0.6397   8.5250   0.4878 -0.9303000 0.8044000 
1 1 1    9   21   11 o   3.0260   0.7731   3.1620   1.1340   2.8890   1.0510 0.2738000 1.546000 
1 1 1    9   21   12 f   7.5780   0.4190   7.8270   0.6216   7.3280   0.5619 0.4983000 0.8380000 
1 1 1    9   21   13 o   3.4510   0.7781   4.1750   1.1090   2.7260   1.0920 1.449000 1.556000 
1 1 1    9   21   14 o   6.6380   0.5166   6.3270   0.7692   6.9500   0.6897 -0.6231000 1.033000 
1 1 1    9   21   15 o   3.8780   0.7078   5.1890   0.9154   2.5660   1.0800 2.623000 1.416000 
1 1 1    9   21   16 o   3.1720   0.7974   3.3600   1.1280   2.9850   1.1280 0.3744000 1.595000 
1 1 1    9   21   17 o   10.110   0.5435   10.380   0.7628   9.8390   0.7744 0.5437000 1.087000 
1 1 1    9   21   18 o   6.8630   0.5776   7.3640   0.8408   6.3630   0.7921 1.001000 1.155000 
1 1 1    9   21   19 o   3.4580   0.8299   3.4470   1.1660   3.4690   1.1820 -0.2132000E-01 1.660000 
1 1 1    9   21   20 o   3.8310   0.8188   4.0980   1.1310   3.5650   1.1840 0.5331000 1.638000 
1 1 1    9   21   21 o   6.2980   0.5955   6.8030   0.7534   5.7920   0.9225 1.012000 1.191000 
1 1 1    9   21   22 o   4.2420   0.7603   3.2210   1.1830   5.2640   0.9559 -2.043000 1.521000 
1 1 1    9   21   23 f   2.2600   0.7686   2.0470   0.9967   2.4730   1.1700 -0.4259000 1.537000 
1 1 1    9   21   24 f   1.8810   0.6417   1.7540   0.8595   2.0070   0.9530 -0.2532000 1.283000 
1 1 1    9   23    0 o   5.2680   0.5550   5.4000   0.7619   5.1360   0.8072 0.2642000 1.110000 
1 1 1    9   23    1 o   8.8150   0.3402   9.0770   0.4766   8.5520   0.4857 0.5245000 0.6805000 
1 1 1    9   23    2 o   4.5380   0.6514   5.1550   0.8155   3.9210   1.0160 1.235000 1.303000 
1 1 1    9   23    3 o   9.5560   0.3232   9.7880   0.4470   9.3240   0.4670 0.4639000 0.6465000 
1 1 1    9   23    4 o   6.1120   0.5381   5.9610   0.8438   6.2620   0.6681 -0.3011000 1.076000 
1 1 1    9   23    5 o   4.1630   0.7308   4.6370   1.0400   3.6890   1.0270 0.9482000 1.462000 
1 1 1    9   23    6 o   11.380   0.3055   11.440   0.4658   11.320   0.3953 0.1216000 0.6109000 
1 1 1    9   23    7 o   5.4840   0.5797   6.4130   0.7296   4.5550   0.9010 1.859000 1.159000 
1 1 1    9   23    8 o   7.4610   0.4165   7.4400   0.6270   7.4820   0.5484 -0.4246000E-01 0.8330000 
1 1 1    9   23    9 o   6.8950   0.4567   7.3600   0.6581   6.4310   0.6335 0.9289000 0.9135000 
1 1 1    9   23   10 o   4.2870   0.7020   3.9920   1.1110   4.5820   0.8580 -0.5905000 1.404000 
1 1 1    9   23   11 o   8.9750   0.3678   9.4080   0.5396   8.5410   0.5000 0.8669000 0.7356000 
1 1 1    9   23   12 o   6.2440   0.5081   6.0760   0.7904   6.4130   0.6386 -0.3366000 1.016000 
1 1 1    9   23   13 o   2.5010   1.0500  ?   ?    2.5010   1.0500      ?      ? 
1 1 1    9   23   14 o   6.0300   0.8176   6.6940   1.1080   5.3660   1.2020 1.328000 1.635000 
1 1 1    9   23   15 o   3.2060   0.8743   3.5890   1.2560   2.8240   1.2160 0.7649000 1.749000 
1 1 1    9   23   16 f   4.6670   0.7383   5.7690   0.8650   3.5660   1.1970 2.204000 1.477000 
1 1 1    9   23   17 o   2.5240   0.7351   1.7450   0.8501   3.3020   1.2000 -1.557000 1.470000 
1 1 1    9   23   18 o   2.0860   0.6790   2.4170   1.0520   1.7550   0.8585 0.6617000 1.358000 
1 1 1    9   23   19 o   2.2130   0.7141   2.1730   0.9970   2.2530   1.0230 -0.8062000E-01 1.428000 
1 1 1    9   23   20 o   2.9330   0.9124   2.8400   1.2370   3.0260   1.3410 -0.1860000 1.825000 
1 1 1    9   23   21 o   2.3270   0.7872   2.3130   1.0920   2.3410   1.1340 -0.2734000E-01 1.574000 
1 1 1    9   23   22 o   3.1950   0.9829   2.9480   1.2720   3.4410   1.4990 -0.4934000 1.966000 
1 1 1    9   25    0 o   9.3790   0.3210   9.5660   0.4446   9.1920   0.4630 0.3737000 0.6420000 
1 1 1    9   25    1 o   9.1640   0.3328   8.9350   0.4765   9.3920   0.4648 -0.4571000 0.6656000 
1 1 1    9   25    2 o   2.8040   0.6653   3.8110   1.0250   1.7980   0.8489 2.013000 1.331000 
1 1 1    9   25    3 o   2.4600   0.7042   2.8580   1.0590   2.0630   0.9289 0.7957000 1.408000 
1 1 1    9   25    4 o   5.6280   0.5816   5.5300   0.9043   5.7260   0.7317 -0.1959000 1.163000 
1 1 1    9   25    5 o   10.010   0.3465   10.130   0.5257   9.8790   0.4514 0.2513000 0.6929000 
1 1 1    9   25    6 o   4.0380   0.7541   3.6810   1.1730   4.3950   0.9483 -0.7140000 1.508000 
1 1 1    9   25    7 o   6.2880   0.4986   6.2130   0.7542   6.3630   0.6525 -0.1493000 0.9973000 
1 1 1    9   25    8 o   5.0070   0.7198   4.4400   1.1720   5.5740   0.8361 -1.134000 1.440000 
1 1 1    9   25    9 o   2.5400   0.7656   2.6450   1.1310   2.4360   1.0320 0.2092000 1.531000 
1 1 1    9   25   10 o   3.2830   0.9104   3.8950   1.4090   2.6710   1.1530 1.223000 1.821000 
1 1 1    9   25   11 o   4.2480   0.8467   4.0730   1.2580   4.4230   1.1330 -0.3503000 1.693000 
1 1 1    9   25   12 o   2.7970   0.7697   2.8230   1.1120   2.7720   1.0640 0.5174000E-01 1.539000 
1 1 1    9   25   13 o   9.1080   0.3783   8.6880   0.5823   9.5290   0.4830 -0.8407000 0.7566000 
1 1 1    9   25   14 o   4.5970   0.7133   4.4190   1.0720   4.7750   0.9409 -0.3562000 1.427000 
1 1 1    9   25   15 o   2.2650   0.6835   1.7370   0.8467   2.7930   1.0730 -1.056000 1.367000 
1 1 1    9   25   16 o   3.7150   0.7972   4.1950   1.1380   3.2350   1.1170 0.9595000 1.594000 
1 1 1    9   25   17 o   3.0080   0.8046   3.3670   1.1710   2.6490   1.1040 0.7177000 1.609000 
1 1 1    9   25   18 o   2.4180   0.7987   2.5720   1.1660   2.2630   1.0910 0.3091000 1.597000 
1 1 1    9   25   19 o   1.7800   0.6125   1.7980   0.8721   1.7620   0.8603 0.3575000E-01 1.225000 
1 1 1    9   27    0 o   2.9130   0.7070   3.7260   1.0620   2.0990   0.9337 1.627000 1.414000 
1 1 1    9   27    1 o   4.2150   0.6947   3.9890   1.0280   4.4410   0.9345 -0.4516000 1.389000 
1 1 1    9   27    2 o   3.3490   0.7348   3.9540   1.0290   2.7430   1.0490 1.211000 1.470000 
1 1 1    9   27    3 o   3.1970   0.7912   3.6140   1.1280   2.7800   1.1100 0.8341000 1.582000 
1 1 1    9   27    4 o   3.7050   0.8411   4.3120   1.2300   3.0980   1.1480 1.215000 1.682000 
1 1 1    9   27    5 o   5.2390   0.7261   5.1440   1.1090   5.3340   0.9374 -0.1898000 1.452000 
1 1 1    9   27    6 o   2.6380   0.7874   2.5310   1.1120   2.7460   1.1150 -0.2155000 1.575000 
1 1 1    9   27    7 o   3.3310   0.7826   3.3070   1.1440   3.3550   1.0690 -0.4792000E-01 1.565000 
1 1 1    9   27    8 o   4.4360   0.7144   4.4860   1.0560   4.3850   0.9621 0.1005000 1.429000 
1 1 1    9   27    9 o   3.2020   0.7844   3.5340   1.1440   2.8700   1.0740 0.6643000 1.569000 
1 1 1    9   27   10 o   2.3200   0.7162   2.4920   1.0670   2.1490   0.9554 0.3430000 1.432000 
1 1 1    9   27   11 o   3.0620   0.7051   2.0730   0.9602   4.0520   1.0330 -1.979000 1.410000 
1 1 1    9   27   12 o   5.9240   0.5808   6.0500   0.8551   5.7980   0.7861 0.2520000 1.162000 
1 1 1    9   27   13 o   5.9860   0.5763   6.1070   0.8352   5.8640   0.7945 0.2431000 1.153000 
1 1 1    9   27   14 o   2.0550   0.7006   2.1280   1.0210   1.9810   0.9594 0.1464000 1.401000 
1 1 1    9   27   15 o   3.3290   0.9124   3.6260   1.3400   3.0310   1.2390 0.5941000 1.825000 
1 1 1    9   27   16 o   2.9720   0.8626   2.8370   1.2330   3.1070   1.2060 -0.2702000 1.725000 
1 1 1    9   29    0 o   3.1780   0.7124   4.1520   1.0430   2.2040   0.9709 1.948000 1.425000 
1 1 1    9   29    1 o   1.6680   0.5765   1.6590   0.8060   1.6780   0.8244 -0.1911000E-01 1.153000 
1 1 1    9   29    2 o   4.1090   0.6924   5.5880   0.8996   2.6300   1.0530 2.958000 1.385000 
1 1 1    9   29    3 f   4.0550   0.7298   4.0700   1.0370   4.0390   1.0270 0.3087000E-01 1.460000 
1 1 1    9   29    4 o   7.6320   0.4636   7.8510   0.6997   7.4140   0.6085 0.4364000 0.9273000 
1 1 1    9   29    5 o   6.0870   0.5764   6.1860   0.8772   5.9890   0.7481 0.1972000 1.153000 
1 1 1    9   29    6 o   3.9270   0.7723   3.3100   1.2050   4.5440   0.9665 -1.234000 1.545000 
1 1 1    9   29    7 f   2.4040   0.7418   2.6790   1.1170   2.1290   0.9762 0.5499000 1.484000 
1 1 1    9   29    8 o   2.9170   0.8063   2.7830   1.1290   3.0520   1.1520 -0.2692000 1.613000 
1 1 1    9   29    9 o   2.3770   0.7401   2.4930   1.0750   2.2610   1.0170 0.2327000 1.480000 
1 1 1    9   29   10 o   2.5660   0.8049   2.3090   1.0800   2.8220   1.1940 -0.5131000 1.610000 
1 1 1    9   29   11 o   2.4100   0.7337   1.8210   0.9003   3.0000   1.1590 -1.178000 1.467000 
1 1 1    9   31    0 o   2.0850   0.6884   2.0890   0.9806   2.0810   0.9666 0.7863000E-02 1.377000 
1 1 1    9   31    1 o   1.8220   0.6259   1.9770   0.9439   1.6680   0.8222 0.3090000 1.252000 
1 1 1    9   31    2 o   2.4820   0.7581   2.8980   1.1700   2.0660   0.9639 0.8321000 1.516000 
1 1 1    9   31    3 o   2.0190   0.9766  ?   ?    2.0190   0.9766      ?      ? 
1 1 1   10    0    0 o   45.190   0.4518   45.190   0.4518   45.190   0.4518 0.000000 0.000000 
1 1 1   10    0    1 o   10.470   0.1668   10.470   0.1668   10.470   0.1668 0.000000 0.000000 
1 1 1   10    0    2 o   33.830   0.3459   33.830   0.3459   33.830   0.3459 0.000000 0.000000 
1 1 1   10    0    3 o   34.380   0.3548   34.380   0.3548   34.380   0.3548 0.000000 0.000000 
1 1 1   10    0    4 o   43.690   0.3638   43.690   0.3638   43.690   0.3638 0.000000 0.000000 
1 1 1   10    0    5 o  114.700   0.9308  114.700   0.9308  114.700   0.9308 0.000000 0.000000 
1 1 1   10    0    6 f   52.600   0.3781   52.600   0.3781   52.600   0.3781 0.000000 0.000000 
1 1 1   10    0    7 o   49.300   0.5059   49.300   0.5059   49.300   0.5059 0.000000 0.000000 
1 1 1   10    0    8 o   27.450   0.3160   27.450   0.3160   27.450   0.3160 0.000000 0.000000 
1 1 1   10    0    9 o   35.130   0.2699   35.130   0.2699   35.130   0.2699 0.000000 0.000000 
1 1 1   10    0   10 o   16.250   0.2009   16.250   0.2009   16.250   0.2009 0.000000 0.000000 
1 1 1   10    0   11 o   7.0200   0.3387   7.0200   0.3387   7.0200   0.3387 0.000000 0.000000 
1 1 1   10    0   12 o   32.800   0.2651   32.800   0.2651   32.800   0.2651 0.000000 0.000000 
1 1 1   10    0   13 o   6.4180   0.4200   6.4180   0.4200   6.4180   0.4200 0.000000 0.000000 
1 1 1   10    0   14 o   36.830   0.2948   36.830   0.2948   36.830   0.2948 0.000000 0.000000 
1 1 1   10    0   15 o   26.790   0.2575   26.790   0.2575   26.790   0.2575 0.000000 0.000000 
1 1 1   10    0   16 o   35.250   0.4191   35.250   0.4191   35.250   0.4191 0.000000 0.000000 
1 1 1   10    0   17 o   40.730   0.3290   40.730   0.3290   40.730   0.3290 0.000000 0.000000 
1 1 1   10    0   18 o   29.560   0.4087   29.560   0.4087   29.560   0.4087 0.000000 0.000000 
1 1 1   10    0   19 o   2.1260   1.2790   2.1260   1.2790   2.1260   1.2790 0.000000 0.000000 
1 1 1   10    0   20 o   21.230   0.5978   21.230   0.5978   21.230   0.5978 0.000000 0.000000 
1 1 1   10    0   21 o   6.8890   0.7200   6.8890   0.7200   6.8890   0.7200 0.000000 0.000000 
1 1 1   10    0   22 o   17.650   0.3487   17.650   0.3487   17.650   0.3487 0.000000 0.000000 
1 1 1   10    0   23 o   11.640   0.4392   11.640   0.4392   11.640   0.4392 0.000000 0.000000 
1 1 1   10    0   24 o   6.6740   0.7298   6.6740   0.7298   6.6740   0.7298 0.000000 0.000000 
1 1 1   10    0   25 o   17.610   0.3524   17.610   0.3524   17.610   0.3524 0.000000 0.000000 
1 1 1   10    0   26 o   2.6370   1.3530   2.6370   1.3530   2.6370   1.3530 0.000000 0.000000 
1 1 1   10    0   27 o   1.4680   0.9981   1.4680   0.9981   1.4680   0.9981 0.000000 0.000000 
1 1 1   10    0   28 o   4.8920   1.2930   4.8920   1.2930   4.8920   1.2930 0.000000 0.000000 
1 1 1   10    0   29 o   5.5260   0.9317   5.5260   0.9317   5.5260   0.9317 0.000000 0.000000 
1 1 1   10    0   30 o   1.3750   0.9594   1.3750   0.9594   1.3750   0.9594 0.000000 0.000000 
1 1 1   10    0   31 o   1.4170   0.9818   1.4170   0.9818   1.4170   0.9818 0.000000 0.000000 
1 1 1   10    0   32 o   1.8950   1.3090   1.8950   1.3090   1.8950   1.3090 0.000000 0.000000 
1 1 1   10    2    0 o   53.570   0.3091   53.070   0.4331   54.070   0.4411 -0.9949000 0.6181000 
1 1 1   10    2    1 o   31.490   0.2084   31.580   0.3222   31.390   0.2643 0.1874000 0.4167000 
1 1 1   10    2    2 o   38.820   0.3414   38.640   0.5549   39.010   0.3980 -0.3673000 0.6828000 
1 1 1   10    2    3 o   44.100   0.2588   43.950   0.3650   44.250   0.3669 -0.2945000 0.5176000 
1 1 1   10    2    4 o   32.990   0.2007   33.120   0.2848   32.870   0.2827 0.2466000 0.4013000 
1 1 1   10    2    5 o   76.910   0.4442   76.690   0.6264   77.130   0.6300 -0.4396000 0.8884000 
1 1 1   10    2    6 o   85.900   0.4961   85.740   0.7005   86.050   0.7027 -0.3048000 0.9922000 
1 1 1   10    2    7 f   20.550   0.3746  ?   ?    20.550   0.3746      ?      ? 
1 1 1   10    2    8 o   61.210   0.3591   61.360   0.5090   61.070   0.5068 0.2855000 0.7183000 
1 1 1   10    2    9 o   34.450   0.2180   34.380   0.3079   34.520   0.3086 -0.1360000 0.4359000 
1 1 1   10    2   10 o   20.400   0.1570   20.540   0.2066   20.260   0.2364 0.2734000 0.3140000 
1 1 1   10    2   11 o   14.260   0.1669   14.210   0.2190   14.310   0.2518 -0.9852000E-01 0.3337000 
1 1 1   10    2   12 o   16.490   0.1683   16.680   0.2210   16.310   0.2538 0.3688000 0.3365000 
1 1 1   10    2   13 o   12.660   0.2177   12.330   0.2582   13.000   0.3506 -0.6677000 0.4354000 
1 1 1   10    2   14 o   20.090   0.1937   19.820   0.2685   20.370   0.2791 -0.5533000 0.3873000 
1 1 1   10    2   15 o   15.220   0.2215   15.330   0.3064   15.110   0.3198 0.2153000 0.4429000 
1 1 1   10    2   16 o   36.930   0.3045   36.650   0.4275   37.220   0.4337 -0.5665000 0.6090000 
1 1 1   10    2   17 o   21.510   0.2068   21.520   0.2706   21.490   0.3127 0.2831000E-01 0.4135000 
1 1 1   10    2   18 o   33.000   0.2278   32.920   0.2978   33.090   0.3449 -0.1699000 0.4557000 
1 1 1   10    2   19 f   22.170   0.2149   22.310   0.2817   22.030   0.3247 0.2840000 0.4298000 
1 1 1   10    2   20 o   8.1300   0.6395   7.6200   0.8045   8.6400   0.9944 -1.021000 1.279000 
1 1 1   10    2   21 o   7.1660   0.4319   6.7290   0.6072   7.6030   0.6143 -0.8742000 0.8637000 
1 1 1   10    2   22 o   4.1520   0.7159   4.4130   0.9186   3.8920   1.0980 0.5215000 1.432000 
1 1 1   10    2   23 o   2.1150   0.6679   1.7150   0.8197   2.5150   1.0550 -0.8009000 1.336000 
1 1 1   10    2   24 o   3.1090   0.7319   3.7170   1.0230   2.5010   1.0470 1.216000 1.464000 
1 1 1   10    2   25 o   4.3550   0.6781   3.9020   0.9791   4.8080   0.9383 -0.9060000 1.356000 
1 1 1   10    2   26 o   3.1670   0.7497   3.5900   1.0330   2.7440   1.0860 0.8460000 1.499000 
1 1 1   10    2   27 o   2.5390   0.7339   2.3080   0.9796   2.7710   1.0930 -0.4628000 1.468000 
1 1 1   10    2   28 o   5.3980   0.7733   4.9090   1.1770   5.8860   1.0030 -0.9773000 1.547000 
1 1 1   10    2   29 o   2.2560   0.6937   2.5920   1.0460   1.9190   0.9115 0.6731000 1.387000 
1 1 1   10    2   30 o   4.5670   0.7280   4.6950   0.9510   4.4380   1.1020 0.2563000 1.456000 
1 1 1   10    2   31 o   2.7970   0.7758   2.1480   0.9898   3.4460   1.1950 -1.298000 1.552000 
1 1 1   10    2   32 o   1.7830   0.6261   1.6540   0.8277   1.9130   0.9396 -0.2587000 1.252000 
1 1 1   10    4    0 o   33.450   0.2261   33.530   0.3503   33.360   0.2859 0.1731000 0.4522000 
1 1 1   10    4    1 o   64.550   0.4582   64.740   0.6500   64.350   0.6460 0.3843000 0.9164000 
1 1 1   10    4    2 o   31.170   0.1917   30.900   0.2688   31.440   0.2733 -0.5378000 0.3833000 
1 1 1   10    4    3 o   65.550   0.3802   65.650   0.5384   65.450   0.5370 0.2018000 0.7604000 
1 1 1   10    4    4 o   12.100   0.1379   12.170   0.1958   12.020   0.1942 0.1550000 0.2758000 
1 1 1   10    4    5 o   43.140   0.2585   43.010   0.3650   43.270   0.3662 -0.2521000 0.5170000 
1 1 1   10    4    6 o   16.150   0.1628   16.210   0.2113   16.090   0.2477 0.1241000 0.3256000 
1 1 1   10    4    7 o   27.570   0.2283   27.760   0.3241   27.380   0.3217 0.3897000 0.4566000 
1 1 1   10    4    8 o   34.970   0.2207   34.820   0.3114   35.110   0.3129 -0.2867000 0.4414000 
1 1 1   10    4    9 o   15.770   0.1647   15.480   0.2335   16.060   0.2324 -0.5836000 0.3295000 
1 1 1   10    4   10 o   10.860   0.1995   11.150   0.2790   10.560   0.2852 0.5871000 0.3989000 
1 1 1   10    4   11 o   13.830   0.1880   13.600   0.2665   14.070   0.2651 -0.4714000 0.3759000 
1 1 1   10    4   12 o   31.060   0.2127   30.980   0.3007   31.130   0.3009 -0.1496000 0.4254000 
1 1 1   10    4   13 o   35.160   0.2334   35.360   0.3320   34.970   0.3282 0.3855000 0.4668000 
1 1 1   10    4   14 o   19.700   0.2019   19.690   0.2872   19.710   0.2838 -0.1895000E-01 0.4038000 
1 1 1   10    4   15 o   39.990   0.3894   39.630   0.6303   40.350   0.4573 -0.7192000 0.7788000 
1 1 1   10    4   16 o   27.060   0.2066   27.020   0.2702   27.110   0.3125 -0.9634000E-01 0.4131000 
1 1 1   10    4   17 o   15.630   0.2340   15.680   0.3038   15.570   0.3560 0.1096000 0.4680000 
1 1 1   10    4   18 o   13.180   0.2672   13.040   0.3470   13.320   0.4063 -0.2792000 0.5343000 
1 1 1   10    4   19 o   18.060   0.2239   17.760   0.2929   18.360   0.3386 -0.5998000 0.4477000 
1 1 1   10    4   20 o   12.350   0.4463   13.050   0.5101   11.660   0.7325 1.393000 0.8926000 
1 1 1   10    4   21 o   3.0460   0.7668   2.9220   1.0490   3.1700   1.1190 -0.2479000 1.534000 
1 1 1   10    4   22 o   9.4740   0.3325   9.7320   0.4250   9.2160   0.5115 0.5167000 0.6651000 
1 1 1   10    4   23 o   3.7220   0.7303   3.0920   1.0400   4.3510   1.0260 -1.259000 1.461000 
1 1 1   10    4   24 o   3.0610   0.7589   3.1300   1.0450   2.9920   1.1010 0.1389000 1.518000 
1 1 1   10    4   25 o   4.8850   0.6181   4.6620   0.8557   5.1080   0.8922 -0.4468000 1.236000 
1 1 1   10    4   26 o   2.4540   0.6773   3.1000   1.0450   1.8080   0.8614 1.292000 1.355000 
1 1 1   10    4   27 o   2.6080   0.7966   2.5770   1.1110   2.6390   1.1420 -0.6199000E-01 1.593000 
1 1 1   10    4   28 o   2.4320   0.7302   2.3680   1.0070   2.4960   1.0580 -0.1277000 1.460000 
1 1 1   10    4   29 o   2.4010   0.7302   2.4180   1.0190   2.3840   1.0460 0.3378000E-01 1.460000 
1 1 1   10    4   30 o   3.8460   0.8040   3.6990   1.1030   3.9940   1.1700 -0.2960000 1.608000 
1 1 1   10    4   31 o   2.8140   0.8844   2.0900   1.0130   3.5370   1.4500 -1.447000 1.769000 
1 1 1   10    4   32 f   2.0380   0.6567   2.4190   1.0270   1.6570   0.8189 0.7621000 1.313000 
1 1 1   10    6    0 f   45.880   0.2360   45.710   0.3326   46.040   0.3351 -0.3326000 0.4721000 
1 1 1   10    6    1 o   20.270   0.1407   20.200   0.2108   20.340   0.1863 -0.1395000 0.2813000 
1 1 1   10    6    2 o   32.030   0.2015   31.850   0.2832   32.200   0.2866 -0.3555000 0.4029000 
1 1 1   10    6    3 o   27.390   0.1813   27.650   0.2581   27.130   0.2548 0.5198000 0.3626000 
1 1 1   10    6    4 o   22.320   0.1801   22.090   0.2307   22.540   0.2766 -0.4470000 0.3602000 
1 1 1   10    6    5 o   5.8020   0.3784   6.0720   0.4710   5.5320   0.5924 0.5398000 0.7568000 
1 1 1   10    6    6 f   7.4650   0.2971   6.3900   0.4594   8.5400   0.3769 -2.150000 0.5943000 
1 1 1   10    6    7 o   20.300   0.1674   20.460   0.2378   20.130   0.2356 0.3297000 0.3348000 
1 1 1   10    6    8 o   22.220   0.1752   21.980   0.2484   22.460   0.2470 -0.4835000 0.3503000 
1 1 1   10    6    9 o   17.350   0.1732   17.510   0.2475   17.180   0.2424 0.3226000 0.3464000 
1 1 1   10    6   10 o   10.330   0.2206   10.200   0.3168   10.470   0.3071 -0.2614000 0.4413000 
1 1 1   10    6   11 o   26.160   0.1960   26.000   0.2768   26.320   0.2776 -0.3171000 0.3920000 
1 1 1   10    6   12 o   8.9850   0.2745   8.8830   0.3922   9.0880   0.3841 -0.2048000 0.5489000 
1 1 1   10    6   13 o   65.300   0.3887   65.350   0.5505   65.240   0.5489 0.1113000 0.7774000 
1 1 1   10    6   14 o   57.320   0.6024  ?   ?    57.320   0.6024      ?      ? 
1 1 1   10    6   15 o   35.770   0.3062   35.760   0.4378   35.780   0.4284 -0.2682000E-01 0.6125000 
1 1 1   10    6   16 o   31.620   0.2360   31.590   0.3351   31.650   0.3324 -0.6384000E-01 0.4720000 
1 1 1   10    6   17 o   19.910   0.2333   19.840   0.3302   19.980   0.3298 -0.1380000 0.4666000 
1 1 1   10    6   18 o   13.170   0.2897   12.670   0.4147   13.670   0.4045 -0.9992000 0.5793000 
1 1 1   10    6   19 f   9.2700   0.5650   9.8880   0.6549   8.6530   0.9208 1.235000 1.130000 
1 1 1   10    6   20 o   9.2110   0.3503   9.4310   0.4541   8.9920   0.5336 0.4394000 0.7007000 
1 1 1   10    6   21 o   2.4770   0.7013   1.8370   0.8589   3.1180   1.1090 -1.281000 1.403000 
1 1 1   10    6   22 o   19.170   0.2212   18.950   0.2944   19.380   0.3303 -0.4354000 0.4424000 
1 1 1   10    6   23 o   8.0160   0.3911   8.1450   0.5047   7.8870   0.5977 0.2586000 0.7823000 
1 1 1   10    6   24 f   10.240   0.3189   10.750   0.3952   9.7290   0.5006 1.024000 0.6378000 
1 1 1   10    6   25 o   5.0080   0.6191   4.6460   0.8757   5.3700   0.8755 -0.7237000 1.238000 
1 1 1   10    6   26 f   9.5560   0.3400   9.3040   0.4610   9.8070   0.4998 -0.5029000 0.6799000 
1 1 1   10    6   27 o   9.3940   0.4576   9.7720   0.6203   9.0160   0.6728 0.7566000 0.9152000 
1 1 1   10    6   28 o   6.5620   0.4981   6.6780   0.6451   6.4470   0.7590 0.2316000 0.9961000 
1 1 1   10    6   29 o   2.4530   0.7335   2.1110   0.9473   2.7960   1.1200 -0.6850000 1.467000 
1 1 1   10    6   30 o   2.5170   0.7488   2.6110   1.0590   2.4220   1.0590 0.1887000 1.498000 
1 1 1   10    6   31 f   2.3390   0.7834   2.4610   1.1300   2.2180   1.0850 0.2430000 1.567000 
1 1 1   10    6   32 o   2.1100   0.6918   1.9270   0.9132   2.2920   1.0390 -0.3651000 1.384000 
1 1 1   10    8    0 o   34.470   0.2171   34.210   0.3056   34.740   0.3086 -0.5247000 0.4343000 
1 1 1   10    8    1 o   40.110   0.2461   39.620   0.3447   40.590   0.3514 -0.9660000 0.4923000 
1 1 1   10    8    2 o   5.3260   0.3642   5.3470   0.5504   5.3060   0.4770 0.4090000E-01 0.7284000 
1 1 1   10    8    3 o   39.610   0.3011   39.600   0.4255   39.620   0.4261 -0.1926000E-01 0.6022000 
1 1 1   10    8    4 o   14.390   0.1679   14.290   0.2365   14.480   0.2385 -0.1869000 0.3359000 
1 1 1   10    8    5 o   19.870   0.1695   19.890   0.2391   19.850   0.2402 0.3525000E-01 0.3389000 
1 1 1   10    8    6 o   53.210   0.3189   52.970   0.4487   53.450   0.4532 -0.4816000 0.6378000 
1 1 1   10    8    7 o   15.740   0.2257   15.660   0.3199   15.810   0.3185 -0.1562000 0.4514000 
1 1 1   10    8    8 o   30.560   0.2093   30.650   0.2965   30.470   0.2956 0.1751000 0.4186000 
1 1 1   10    8    9 o   22.080   0.1862   22.200   0.2635   21.950   0.2632 0.2539000 0.3724000 
1 1 1   10    8   10 o   8.3380   0.2843   8.3410   0.4097   8.3350   0.3943 0.5795000E-02 0.5686000 
1 1 1   10    8   11 o   57.430   0.3460   57.820   0.4928   57.040   0.4859 0.7828000 0.6921000 
1 1 1   10    8   12 o   20.610   0.2068   20.740   0.2972   20.480   0.2876 0.2616000 0.4136000 
1 1 1   10    8   13 o   5.2620   0.6887   4.9630   0.9967   5.5610   0.9507 -0.5981000 1.377000 
1 1 1   10    8   14 o   33.450   0.2969   33.580   0.4244   33.320   0.4152 0.2649000 0.5937000 
1 1 1   10    8   15 o   18.730   0.2328   18.620   0.3340   18.850   0.3245 -0.2364000 0.4656000 
1 1 1   10    8   16 o   2.9310   0.7979   2.8770   1.1280   2.9850   1.1290 -0.1081000 1.596000 
1 1 1   10    8   17 o   18.270   0.2432   18.380   0.3441   18.160   0.3438 0.2216000 0.4865000 
1 1 1   10    8   18 o   7.1840   0.5336   7.1330   0.6984   7.2360   0.8070 -0.1034000 1.067000 
1 1 1   10    8   19 o   15.900   0.3763   15.870   0.4598   15.930   0.5957 -0.5074000E-01 0.7525000 
1 1 1   10    8   20 o   7.0130   0.4687   6.8310   0.6842   7.1950   0.6408 -0.3636000 0.9374000 
1 1 1   10    8   21 o   12.870   0.2863   12.580   0.4086   13.170   0.4012 -0.5898000 0.5727000 
1 1 1   10    8   22 o   9.4100   0.3609   9.5980   0.5049   9.2220   0.5158 0.3761000 0.7218000 
1 1 1   10    8   23 o   9.4870   0.3648   9.0930   0.5302   9.8820   0.5011 -0.7892000 0.7295000 
1 1 1   10    8   24 o   6.9860   0.4493   7.5240   0.5410   6.4490   0.7175 1.075000 0.8986000 
1 1 1   10    8   25 o   8.7780   0.3645   8.7080   0.4823   8.8470   0.5467 -0.1388000 0.7290000 
1 1 1   10    8   26 o   3.2360   0.8747   3.1250   1.2150   3.3480   1.2590 -0.2236000 1.749000 
1 1 1   10    8   27 o   6.8660   0.4865   6.4150   0.7087   7.3170   0.6666 -0.9018000 0.9729000 
1 1 1   10    8   28 o   4.5520   0.7180   5.4420   0.8047   3.6620   1.1890 1.780000 1.436000 
1 1 1   10    8   29 o   2.5530   0.7538   2.4840   1.0340   2.6210   1.0970 -0.1370000 1.508000 
1 1 1   10    8   30 o   2.0670   0.6950   1.9180   0.9229   2.2160   1.0390 -0.2979000 1.390000 
1 1 1   10    8   31 o   3.1820   0.8209   3.6040   1.1970   2.7590   1.1240 0.8444000 1.642000 
1 1 1   10   10    0 o   9.8120   0.1913   9.7010   0.2706   9.9230   0.2703 -0.2223000 0.3825000 
1 1 1   10   10    1 o   26.410   0.1658   26.480   0.2342   26.330   0.2346 0.1532000 0.3315000 
1 1 1   10   10    2 o   15.330   0.2202   16.150   0.3147   14.510   0.3082 1.638000 0.4405000 
1 1 1   10   10    3 o   21.390   0.2044   21.560   0.3151   21.230   0.2605 0.3332000 0.4088000 
1 1 1   10   10    4 o   34.530   0.2125   34.580   0.3197   34.490   0.2799 0.8852000E-01 0.4249000 
1 1 1   10   10    5 o   22.600   0.1857   22.660   0.2604   22.550   0.2648 0.1028000 0.3714000 
1 1 1   10   10    6 o   26.800   0.1988   26.740   0.2803   26.850   0.2821 -0.1138000 0.3976000 
1 1 1   10   10    7 o   20.840   0.1881   21.060   0.2660   20.620   0.2661 0.4440000 0.3763000 
1 1 1   10   10    8 o   28.320   0.2355   28.120   0.3643   28.530   0.2985 -0.4091000 0.4710000 
1 1 1   10   10    9 o   54.970   0.3336   54.720   0.4696   55.220   0.4739 -0.5014000 0.6671000 
1 1 1   10   10   10 o   20.280   0.2329   20.060   0.3677   20.500   0.2860 -0.4398000 0.4658000 
1 1 1   10   10   11 o   24.120   0.2284   24.260   0.3487   23.980   0.2953 0.2795000 0.4569000 
1 1 1   10   10   12 o   25.980   0.3200   26.070   0.5119   25.880   0.3843 0.1871000 0.6401000 
1 1 1   10   10   13 o   15.460   0.2391   15.440   0.3441   15.480   0.3319 -0.3877000E-01 0.4781000 
1 1 1   10   10   14 o   15.380   0.2567   15.360   0.3736   15.400   0.3523 -0.4275000E-01 0.5135000 
1 1 1   10   10   15 o   9.4040   0.4008   10.250   0.5515   8.5550   0.5818 1.699000 0.8017000 
1 1 1   10   10   16 f   35.200   0.2543   35.060   0.3610   35.330   0.3583 -0.2659000 0.5086000 
1 1 1   10   10   17 o   15.380   0.3799   15.120   0.4901   15.650   0.5806 -0.5311000 0.7598000 
1 1 1   10   10   18 f   12.280   0.3784   12.160   0.5654   12.390   0.5031 -0.2264000 0.7568000 
1 1 1   10   10   19 o   23.910   0.2325   23.630   0.3296   24.190   0.3280 -0.5638000 0.4649000 
1 1 1   10   10   20 o   3.1770   0.7771   3.7230   1.1270   2.6300   1.0700 1.093000 1.554000 
1 1 1   10   10   21 o   3.7490   0.7418   4.7820   1.0110   2.7150   1.0860 2.067000 1.484000 
1 1 1   10   10   22 o   13.860   0.2806   13.860   0.3964   13.860   0.3973 -0.9499000E-03 0.5612000 
1 1 1   10   10   23 o   4.5760   0.7007   3.5880   1.1330   5.5650   0.8250 -1.977000 1.401000 
1 1 1   10   10   24 o   6.4810   0.5254   6.0300   0.8031   6.9310   0.6776 -0.9016000 1.051000 
1 1 1   10   10   25 o   3.4040   0.7700   4.1980   1.1020   2.6100   1.0760 1.588000 1.540000 
1 1 1   10   10   26 o   6.8020   0.7414   7.5060   1.0930   6.0980   1.0020 1.408000 1.483000 
1 1 1   10   10   27 o   4.8720   0.6739   4.9340   0.8844   4.8100   1.0170 0.1244000 1.348000 
1 1 1   10   10   28 o   3.3750   0.7425   4.2490   1.0200   2.5010   1.0790 1.748000 1.485000 
1 1 1   10   10   29 o   4.1840   0.7887   4.0220   1.0940   4.3470   1.1360 -0.3253000 1.577000 
1 1 1   10   10   30 o   2.4780   0.8101   2.7050   1.1960   2.2500   1.0930 0.4549000 1.620000 
1 1 1   10   12    0 o   7.7790   0.2628   7.9880   0.3646   7.5700   0.3785 0.4186000 0.5255000 
1 1 1   10   12    1 o   17.080   0.1660   16.710   0.2353   17.440   0.2342 -0.7317000 0.3320000 
1 1 1   10   12    2 o   29.560   0.1833   29.390   0.2591   29.730   0.2595 -0.3350000 0.3667000 
1 1 1   10   12    3 o   32.160   0.2076   32.320   0.3144   31.990   0.2712 0.3278000 0.4152000 
1 1 1   10   12    4 o   38.760   0.2350   38.640   0.3540   38.870   0.3092 -0.2333000 0.4700000 
1 1 1   10   12    5 o   9.2160   0.2604   8.8830   0.4010   9.5490   0.3324 -0.6659000 0.5208000 
1 1 1   10   12    6 o   25.070   0.2035   25.240   0.2886   24.900   0.2870 0.3348000 0.4070000 
1 1 1   10   12    7 o   24.650   0.2048   24.540   0.2897   24.770   0.2897 -0.2277000 0.4097000 
1 1 1   10   12    8 o   19.770   0.2073   19.720   0.2949   19.830   0.2915 -0.1102000 0.4146000 
1 1 1   10   12    9 o   6.4780   0.4695   6.0050   0.7504   6.9500   0.5645 -0.9455000 0.9390000 
1 1 1   10   12   10 o   10.020   0.4575   9.8720   0.6999   10.160   0.5892 -0.2883000 0.9149000 
1 1 1   10   12   11 o   8.7700   0.4652   7.8410   0.6717   9.6980   0.6437 -1.856000 0.9304000 
1 1 1   10   12   12 f   7.7820   0.4242   8.3150   0.5600   7.2490   0.6373 1.066000 0.8484000 
1 1 1   10   12   13 o   11.380   0.3196   11.700   0.4346   11.060   0.4686 0.6374000 0.6391000 
1 1 1   10   12   14 o   22.410   0.2295   22.450   0.3263   22.370   0.3229 0.8539000E-01 0.4591000 
1 1 1   10   12   15 o   12.430   0.2970   12.090   0.4327   12.770   0.4070 -0.6869000 0.5940000 
1 1 1   10   12   16 o   7.8000   0.6300   8.3400   0.7581   7.2600   1.0060 1.080000 1.260000 
1 1 1   10   12   17 o   7.0120   0.4786   7.3900   0.6435   6.6340   0.7088 0.7560000 0.9573000 
1 1 1   10   12   18 o   7.1950   0.4638   7.1360   0.6682   7.2540   0.6435 -0.1187000 0.9277000 
1 1 1   10   12   19 o   4.5900   0.7140   4.8890   0.9709   4.2920   1.0470 0.5969000 1.428000 
1 1 1   10   12   20 o   5.8750   0.5849   5.0950   0.9452   6.6550   0.6892 -1.560000 1.170000 
1 1 1   10   12   21 o   10.940   0.3289   11.100   0.4729   10.780   0.4572 0.3136000 0.6578000 
1 1 1   10   12   22 o   6.0300   0.5471   6.1460   0.7777   5.9130   0.7697 0.2331000 1.094000 
1 1 1   10   12   23 o   6.0410   0.5616   6.3700   0.7685   5.7120   0.8193 0.6579000 1.123000 
1 1 1   10   12   24 o   7.1820   0.4661   7.0760   0.6771   7.2870   0.6408 -0.2116000 0.9322000 
1 1 1   10   12   25 o   6.6860   0.7299   6.7070   1.1160   6.6650   0.9405 0.4182000E-01 1.460000 
1 1 1   10   12   26 o   6.8210   0.5603   5.9750   0.8094   7.6670   0.7750 -1.692000 1.121000 
1 1 1   10   12   27 o   4.4830   0.7566   5.1180   0.9706   3.8480   1.1610 1.270000 1.513000 
1 1 1   10   12   28 o   2.8000   0.7734   2.2030   1.0020   3.3980   1.1790 -1.195000 1.547000 
1 1 1   10   12   29 o   2.1530   0.7392   1.9820   0.9678   2.3230   1.1180 -0.3411000 1.478000 
1 1 1   10   12   30 o   1.5550   0.5477   1.5440   0.7672   1.5670   0.7819 -0.2251000E-01 1.095000 
1 1 1   10   14    0 o   49.490   0.2659   49.390   0.3753   49.600   0.3768 -0.2172000 0.5318000 
1 1 1   10   14    1 o   31.530   0.2123   31.880   0.3223   31.190   0.2762 0.6836000 0.4245000 
1 1 1   10   14    2 o   26.280   0.1830   26.390   0.2590   26.170   0.2587 0.2252000 0.3660000 
1 1 1   10   14    3 o   34.110   0.2225   34.230   0.3370   34.000   0.2906 0.2330000 0.4450000 
1 1 1   10   14    4 o   9.0540   0.3091   8.7670   0.4841   9.3410   0.3843 -0.5738000 0.6181000 
1 1 1   10   14    5 o   15.890   0.2407   15.890   0.3681   15.890   0.3103 -0.4787000E-03 0.4815000 
1 1 1   10   14    6 o   35.910   0.2724   35.960   0.4197   35.850   0.3474 0.1088000 0.5448000 
1 1 1   10   14    7 o   9.1870   0.4862   10.050   0.7083   8.3200   0.6662 1.733000 0.9724000 
1 1 1   10   14    8 o   50.190   0.3892   51.090   0.5582   49.280   0.5424 1.808000 0.7783000 
1 1 1   10   14    9 o   18.260   0.2366   18.350   0.3308   18.180   0.3383 0.1721000 0.4732000 
1 1 1   10   14   10 o   38.680   0.2658   38.780   0.3766   38.580   0.3751 0.2008000 0.5315000 
1 1 1   10   14   11 o   18.230   0.2420   18.180   0.3396   18.280   0.3450 -0.1006000 0.4840000 
1 1 1   10   14   12 o   16.570   0.2530   16.210   0.3569   16.920   0.3586 -0.7030000 0.5059000 
1 1 1   10   14   13 o   4.4370   0.7525   4.7010   1.0010   4.1740   1.1240 0.5264000 1.505000 
1 1 1   10   14   14 o   3.6150   0.9530   3.5030   1.2790   3.7260   1.4130 -0.2225000 1.906000 
1 1 1   10   14   15 o   5.6200   0.7502   5.3580   1.1390   5.8830   0.9767 -0.5255000 1.500000 
1 1 1   10   14   16 o   3.7020   0.7445   2.3890   1.0360   5.0150   1.0700 -2.626000 1.489000 
1 1 1   10   14   17 o   6.4940   0.5337   7.5950   0.6360   5.3930   0.8573 2.201000 1.067000 
1 1 1   10   14   18 o   9.1510   0.3656   9.1480   0.5217   9.1540   0.5123 -0.5458000E-02 0.7312000 
1 1 1   10   14   19 o   2.8710   0.7598   2.4350   1.0400   3.3060   1.1080 -0.8714000 1.520000 
1 1 1   10   14   20 o   11.350   0.3133   11.550   0.4391   11.150   0.4471 0.3941000 0.6266000 
1 1 1   10   14   21 o   4.6980   0.6958   4.2950   1.0510   5.1010   0.9126 -0.8064000 1.392000 
1 1 1   10   14   22 o   9.5560   0.3656   9.9260   0.5140   9.1870   0.5199 0.7390000 0.7311000 
1 1 1   10   14   23 o   8.4130   0.6157   8.6250   0.9551   8.2000   0.7771 0.4253000 1.231000 
1 1 1   10   14   24 o   3.3610   0.9362   3.3040   1.3590   3.4170   1.2880 -0.1135000 1.872000 
1 1 1   10   14   25 o   7.3820   0.4872   7.2860   0.7171   7.4770   0.6598 -0.1916000 0.9744000 
1 1 1   10   14   26 o   2.4290   0.7429   2.6840   1.1070   2.1730   0.9906 0.5116000 1.486000 
1 1 1   10   14   27 o   2.1150   0.6927   2.1040   0.9792   2.1250   0.9801 -0.2157000E-01 1.385000 
1 1 1   10   14   28 o   3.6190   1.0060   3.4830   1.3900   3.7550   1.4540 -0.2717000 2.012000 
1 1 1   10   14   29 o   2.1830   0.7128   2.2600   1.0360   2.1070   0.9794 0.1529000 1.426000 
1 1 1   10   16    0 o   21.180   0.1907   21.670   0.2675   20.680   0.2717 0.9839000 0.3813000 
1 1 1   10   16    1 o   22.310   0.2178   22.010   0.3019   22.610   0.3139 -0.6024000 0.4355000 
1 1 1   10   16    2 o   17.910   0.2338   18.140   0.3269   17.680   0.3342 0.4594000 0.4675000 
1 1 1   10   16    3 o   10.150   0.3820   9.7460   0.6103   10.550   0.4598 -0.8064000 0.7641000 
1 1 1   10   16    4 o   12.250   0.3303   12.300   0.5092   12.200   0.4207 0.1023000 0.6605000 
1 1 1   10   16    5 o   13.640   0.2535   13.910   0.3815   13.370   0.3338 0.5472000 0.5069000 
1 1 1   10   16    6 o   51.080   0.3016   50.730   0.4533   51.430   0.3978 -0.6962000 0.6032000 
1 1 1   10   16    7 o   30.200   0.2243   30.000   0.3377   30.400   0.2953 -0.3962000 0.4486000 
1 1 1   10   16    8 o   30.370   0.2392   30.520   0.3404   30.230   0.3362 0.2983000 0.4784000 
1 1 1   10   16    9 o   32.340   0.2465   32.230   0.3495   32.460   0.3478 -0.2259000 0.4930000 
1 1 1   10   16   10 o   17.570   0.2497   17.430   0.3508   17.710   0.3556 -0.2756000 0.4995000 
1 1 1   10   16   11 o   32.380   0.2746   32.580   0.3511   32.180   0.4224 0.3997000 0.5492000 
1 1 1   10   16   12 o   14.680   0.3842   14.200   0.5023   15.160   0.5814 -0.9506000 0.7683000 
1 1 1   10   16   13 o   5.3840   0.8058   6.0810   1.0340   4.6870   1.2360 1.395000 1.612000 
1 1 1   10   16   14 o   6.9910   0.5137   5.8190   0.8412   8.1640   0.5900 -2.345000 1.027000 
1 1 1   10   16   15 o   8.7960   0.4025   8.3640   0.5986   9.2290   0.5382 -0.8645000 0.8050000 
1 1 1   10   16   16 o   5.3360   0.6254   5.5820   0.8298   5.0890   0.9360 0.4932000 1.251000 
1 1 1   10   16   17 o   15.240   0.2663   15.210   0.3792   15.270   0.3739 -0.5575000E-01 0.5326000 
1 1 1   10   16   18 o   4.7590   0.6806   4.6580   0.9913   4.8600   0.9328 -0.2017000 1.361000 
1 1 1   10   16   19 o   7.1480   0.4990   7.0420   0.7582   7.2540   0.6489 -0.2123000 0.9979000 
1 1 1   10   16   20 o   3.6350   0.7744   3.3960   1.1190   3.8740   1.0710 -0.4780000 1.549000 
1 1 1   10   16   21 f   3.9630   0.7617   4.2270   1.0630   3.6990   1.0910 0.5278000 1.523000 
1 1 1   10   16   22 o   3.3920   0.8988   4.4590   1.4460   2.3250   1.0680 2.134000 1.798000 
1 1 1   10   16   23 o   5.1160   0.6813   5.2750   0.9564   4.9570   0.9707 0.3178000 1.363000 
1 1 1   10   16   24 o   4.4160   0.7336   3.2530   1.1720   5.5790   0.8821 -2.326000 1.467000 
1 1 1   10   16   25 o   2.9370   0.8054   3.1390   1.1650   2.7340   1.1120 0.4045000 1.611000 
1 1 1   10   16   26 o   2.4270   0.7372   2.9510   1.1630   1.9030   0.9070 1.048000 1.474000 
1 1 1   10   16   27 o   2.1660   0.7327   2.5650   1.1650   1.7670   0.8894 0.7979000 1.465000 
1 1 1   10   16   28 o   2.4650   1.2000   2.4650   1.2000  ?   ?       ?      ? 
1 1 1   10   18    0 o   10.320   0.2982   10.270   0.4192   10.370   0.4243 -0.9864000E-01 0.5965000 
1 1 1   10   18    1 o   23.810   0.2011   23.900   0.2828   23.710   0.2860 0.1906000 0.4023000 
1 1 1   10   18    2 o   20.990   0.2203   21.470   0.3299   20.510   0.2921 0.9607000 0.4407000 
1 1 1   10   18    3 o   20.980   0.2054   20.820   0.2901   21.150   0.2909 -0.3333000 0.4108000 
1 1 1   10   18    4 o   28.590   0.2236   28.370   0.3373   28.800   0.2935 -0.4274000 0.4472000 
1 1 1   10   18    5 o   6.3290   0.5137   7.0520   0.7016   5.6060   0.7505 1.446000 1.027000 
1 1 1   10   18    6 o   15.210   0.2459   15.490   0.3674   14.930   0.3268 0.5582000 0.4917000 
1 1 1   10   18    7 o   2.7340   0.7679   2.6830   1.0860   2.7840   1.0860 -0.1016000 1.536000 
1 1 1   10   18    8 o   7.8810   0.4284   8.2580   0.5832   7.5050   0.6278 0.7530000 0.8569000 
1 1 1   10   18    9 o   10.680   0.3966   11.260   0.6030   10.100   0.5153 1.157000 0.7932000 
1 1 1   10   18   10 o   7.1180   0.5615   7.5290   0.8581   6.7080   0.7245 0.8201000 1.123000 
1 1 1   10   18   11 o   7.2200   0.5101   5.7870   0.8494   8.6530   0.5653 -2.866000 1.020000 
1 1 1   10   18   12 o   14.470   0.2790   14.370   0.3922   14.570   0.3968 -0.1982000 0.5580000 
1 1 1   10   18   13 o   11.890   0.3198   11.960   0.4429   11.810   0.4614 0.1485000 0.6396000 
1 1 1   10   18   14 o   8.1710   0.4265   8.2100   0.5986   8.1320   0.6078 0.7819000E-01 0.8530000 
1 1 1   10   18   15 o   11.100   0.3286   11.530   0.4546   10.680   0.4747 0.8460000 0.6572000 
1 1 1   10   18   16 o   7.9340   0.4310   7.2060   0.6535   8.6630   0.5622 -1.457000 0.8621000 
1 1 1   10   18   17 o   9.5130   0.3662   9.5030   0.5109   9.5230   0.5248 -0.1947000E-01 0.7324000 
1 1 1   10   18   18 f   5.7330   0.5969   4.9020   0.9460   6.5640   0.7283 -1.662000 1.194000 
1 1 1   10   18   19 o   3.0260   0.7367   2.2070   0.9814   3.8460   1.0990 -1.638000 1.473000 
1 1 1   10   18   20 o   2.7840   0.8497   3.1500   1.2950   2.4180   1.1000 0.7325000 1.699000 
1 1 1   10   18   21 o   3.7230   0.8366   4.5360   1.2350   2.9100   1.1290 1.626000 1.673000 
1 1 1   10   18   22 o   5.8790   0.5920   6.2370   0.8160   5.5210   0.8580 0.7153000 1.184000 
1 1 1   10   18   23 o   5.0840   0.7133   4.2650   1.1420   5.9040   0.8557 -1.639000 1.427000 
1 1 1   10   18   24 o   6.4160   0.5677   6.4890   0.8097   6.3430   0.7959 0.1461000 1.135000 
1 1 1   10   18   25 o   3.3200   0.8426   4.6170   1.3570   2.0230   0.9997 2.595000 1.685000 
1 1 1   10   18   26 o   2.1210   0.6962   2.1620   1.0000   2.0810   0.9685 0.8129000E-01 1.392000 
1 1 1   10   20    0 o   24.130   0.2348   24.280   0.3329   23.970   0.3311 0.3127000 0.4695000 
1 1 1   10   20    1 o   5.1010   0.6769   4.8990   1.0020   5.3030   0.9109 -0.4041000 1.354000 
1 1 1   10   20    2 o   18.710   0.2121   18.600   0.2991   18.820   0.3009 -0.2169000 0.4243000 
1 1 1   10   20    3 o   19.330   0.2467   19.350   0.3514   19.300   0.3464 0.5603000E-01 0.4934000 
1 1 1   10   20    4 o   11.110   0.4016   10.880   0.6556   11.330   0.4641 -0.4594000 0.8033000 
1 1 1   10   20    5 o   7.2240   0.5821   7.4350   0.9240   7.0130   0.7081 0.4220000 1.164000 
1 1 1   10   20    6 o   13.170   0.3350   13.180   0.5237   13.160   0.4177 0.1739000E-01 0.6699000 
1 1 1   10   20    7 o   13.980   0.2611   13.870   0.3936   14.090   0.3433 -0.2208000 0.5223000 
1 1 1   10   20    8 o   12.150   0.2875   11.950   0.4365   12.350   0.3744 -0.4038000 0.5751000 
1 1 1   10   20    9 o   3.7230   0.7248   3.0640   1.1200   4.3830   0.9198 -1.319000 1.450000 
1 1 1   10   20   10 o   15.000   0.2564   15.480   0.3823   14.530   0.3418 0.9520000 0.5128000 
1 1 1   10   20   11 o   7.7160   0.4199   7.5990   0.6484   7.8330   0.5336 -0.2343000 0.8398000 
1 1 1   10   20   12 o   5.1260   0.6567   5.1810   0.9268   5.0700   0.9306 0.1104000 1.313000 
1 1 1   10   20   13 o   8.4860   0.4112   8.6420   0.5790   8.3290   0.5839 0.3129000 0.8223000 
1 1 1   10   20   14 o   3.7850   0.7352   4.8910   0.9756   2.6800   1.1000 2.211000 1.470000 
1 1 1   10   20   15 o   5.3420   0.6801   6.6060   0.7335   4.0780   1.1450 2.528000 1.360000 
1 1 1   10   20   16 o   6.2480   0.5413   6.5510   0.7132   5.9440   0.8145 0.6073000 1.083000 
1 1 1   10   20   17 o   6.2390   0.5241   6.1500   0.7570   6.3290   0.7251 -0.1798000 1.048000 
1 1 1   10   20   18 o   5.3450   0.8861   5.9050   1.2330   4.7850   1.2730 1.121000 1.772000 
1 1 1   10   20   19 o   4.2130   0.8505   2.9520   1.2160   5.4730   1.1890 -2.520000 1.701000 
1 1 1   10   20   20 o   8.0940   0.4590   8.1310   0.6445   8.0570   0.6538 0.7372000E-01 0.9181000 
1 1 1   10   20   21 o   2.4590   0.7515   2.3000   1.0340   2.6170   1.0910 -0.3176000 1.503000 
1 1 1   10   20   22 o   5.3490   0.6916   5.2050   1.0160   5.4930   0.9391 -0.2877000 1.383000 
1 1 1   10   20   23 o   3.0770   0.8441   3.2100   1.1830   2.9440   1.2050 0.2651000 1.688000 
1 1 1   10   20   24 o   3.2160   0.9438   3.0430   1.2760   3.3880   1.3910 -0.3451000 1.888000 
1 1 1   10   22    0 o   8.5770   0.3459   8.4710   0.4914   8.6820   0.4871 -0.2108000 0.6919000 
1 1 1   10   22    1 o   4.3210   0.6598   5.4030   0.7661   3.2400   1.0740 2.163000 1.320000 
1 1 1   10   22    2 o   2.1280   0.6673   2.1710   0.9535   2.0840   0.9339 0.8711000E-01 1.335000 
1 1 1   10   22    3 o   16.140   0.2302   16.540   0.3223   15.740   0.3288 0.7929000 0.4604000 
1 1 1   10   22    4 o   3.3790   0.7869   3.8070   1.1690   2.9510   1.0540 0.8560000 1.574000 
1 1 1   10   22    5 o   7.8890   0.4221   7.7410   0.6699   8.0370   0.5138 -0.2964000 0.8442000 
1 1 1   10   22    6 o   9.5300   0.3485   9.1140   0.5477   9.9450   0.4312 -0.8305000 0.6971000 
1 1 1   10   22    7 o   8.8070   0.3602   8.6890   0.5476   8.9250   0.4681 -0.2361000 0.7204000 
1 1 1   10   22    8 f   9.8540   0.3431   9.4030   0.5356   10.300   0.4290 -0.9023000 0.6863000 
1 1 1   10   22    9 o   6.3150   0.5059   5.7860   0.8245   6.8440   0.5864 -1.058000 1.012000 
1 1 1   10   22   10 f   6.5090   0.4743   7.0810   0.6691   5.9360   0.6724 1.145000 0.9486000 
1 1 1   10   22   11 o   9.8480   0.3378   9.5510   0.5253   10.140   0.4247 -0.5925000 0.6755000 
1 1 1   10   22   12 o   8.2980   0.3941   8.1530   0.6128   8.4430   0.4957 -0.2902000 0.7882000 
1 1 1   10   22   13 o   7.4170   0.4357   7.4970   0.6678   7.3370   0.5599 0.1594000 0.8714000 
1 1 1   10   22   14 o   4.4650   0.7339   3.9250   1.1220   5.0060   0.9460 -1.081000 1.468000 
1 1 1   10   22   15 o   3.1890   0.8101   2.7140   1.1280   3.6640   1.1630 -0.9501000 1.620000 
1 1 1   10   22   16 o   3.5330   0.9704   3.5780   1.3630   3.4880   1.3820 0.9012000E-01 1.941000 
1 1 1   10   22   17 o   1.9070   0.6449   1.8390   0.8835   1.9740   0.9395 -0.1350000 1.290000 
1 1 1   10   22   18 o   3.8790   0.8241   3.5770   1.1770   4.1810   1.1540 -0.6031000 1.648000 
1 1 1   10   22   19 o   2.0200   0.6689   2.1530   0.9846   1.8860   0.9055 0.2673000 1.338000 
1 1 1   10   22   20 o   2.1030   0.6885   1.9540   0.9255   2.2510   1.0200 -0.2963000 1.377000 
1 1 1   10   22   21 o   2.9980   0.7839   3.9050   1.2040   2.0910   1.0050 1.814000 1.568000 
1 1 1   10   22   22 o   1.6160   0.5848   1.4060   0.7215   1.8260   0.9204 -0.4204000 1.170000 
1 1 1   10   22   23 o   3.1160   1.3470   3.1160   1.3470  ?   ?       ?      ? 
1 1 1   10   24    0 o   9.3360   0.3227   8.9690   0.4703   9.7030   0.4419 -0.7339000 0.6453000 
1 1 1   10   24    1 o   2.6900   0.6852   1.9560   0.8956   3.4250   1.0370 -1.469000 1.370000 
1 1 1   10   24    2 o   7.7130   0.3846   7.7680   0.5434   7.6570   0.5443 0.1110000 0.7691000 
1 1 1   10   24    3 o   10.860   0.2915   10.550   0.4244   11.170   0.3997 -0.6266000 0.5830000 
1 1 1   10   24    4 o   9.4580   0.3579   9.0640   0.5679   9.8520   0.4356 -0.7884000 0.7157000 
1 1 1   10   24    5 o   3.8210   0.7640   4.3030   1.1090   3.3380   1.0520 0.9649000 1.528000 
1 1 1   10   24    6 f   7.5040   0.4307   7.7890   0.6422   7.2180   0.5740 0.5708000 0.8613000 
1 1 1   10   24    7 o   2.4870   0.7301   2.5200   1.0590   2.4530   1.0050 0.6701000E-01 1.460000 
1 1 1   10   24    8 o   6.2110   0.5052   6.7440   0.7124   5.6790   0.7167 1.065000 1.010000 
1 1 1   10   24    9 o   3.0480   0.7608   2.7830   1.0900   3.3130   1.0620 -0.5300000 1.522000 
1 1 1   10   24   10 o   5.9610   0.5276   5.7780   0.8143   6.1440   0.6711 -0.3659000 1.055000 
1 1 1   10   24   11 o   4.5790   0.7565   4.1620   1.2120   4.9970   0.9058 -0.8353000 1.513000 
1 1 1   10   24   12 f   3.8570   0.9193   3.4000   1.3220   4.3130   1.2780 -0.9126000 1.839000 
1 1 1   10   24   13 o   4.6530   0.8167   4.3360   1.2290   4.9700   1.0760 -0.6338000 1.633000 
1 1 1   10   24   14 o   8.0310   0.4214   8.7710   0.5772   7.2910   0.6141 1.481000 0.8428000 
1 1 1   10   24   15 o   2.1450   0.6777   2.6140   1.0870   1.6750   0.8095 0.9394000 1.355000 
1 1 1   10   24   16 f   2.5070   0.7540   2.6670   1.0930   2.3460   1.0380 0.3215000 1.508000 
1 1 1   10   24   17 o   2.9870   0.7993   2.4640   1.0730   3.5100   1.1850 -1.046000 1.599000 
1 1 1   10   24   18 o   3.4300   0.8135   2.6890   1.1090   4.1710   1.1900 -1.482000 1.627000 
1 1 1   10   24   19 o   2.5810   0.8382   2.3020   1.0890   2.8600   1.2750 -0.5577000 1.676000 
1 1 1   10   24   20 o   1.8940   0.6509   1.8580   0.8952   1.9290   0.9451 -0.7144000E-01 1.302000 
1 1 1   10   26    0 o   4.6540   0.6435   5.5080   0.7501   3.8000   1.0460 1.708000 1.287000 
1 1 1   10   26    1 o   2.2160   0.6926   2.5850   1.0680   1.8480   0.8821 0.7370000 1.385000 
1 1 1   10   26    2 o   3.7080   0.7239   2.5610   1.0670   4.8550   0.9782 -2.295000 1.448000 
1 1 1   10   26    3 o   4.6560   0.7157   4.8540   0.9751   4.4580   1.0480 0.3960000 1.431000 
1 1 1   10   26    4 o   2.7860   0.7958   3.3190   1.2440   2.2530   0.9925 1.066000 1.592000 
1 1 1   10   26    5 o   3.2520   0.7809   2.5340   1.1290   3.9700   1.0790 -1.436000 1.562000 
1 1 1   10   26    6 o   3.7420   0.8164   4.7680   1.2200   2.7150   1.0860 2.053000 1.633000 
1 1 1   10   26    7 o   8.3110   0.4909   8.3820   0.7436   8.2410   0.6410 0.1402000 0.9818000 
1 1 1   10   26    8 o   3.0730   0.8338   2.9530   1.1940   3.1930   1.1640 -0.2397000 1.668000 
1 1 1   10   26    9 o   6.1420   0.6330   6.2710   0.9350   6.0130   0.8536 0.2580000 1.266000 
1 1 1   10   26   10 o   2.1420   0.6750   1.9490   0.9148   2.3350   0.9928 -0.3867000 1.350000 
1 1 1   10   26   11 o   2.0940   0.6554   1.5890   0.7865   2.5990   1.0490 -1.010000 1.311000 
1 1 1   10   26   12 o   3.2630   0.7885   3.1090   1.1450   3.4160   1.0840 -0.3071000 1.577000 
1 1 1   10   26   13 o   6.7220   0.5079   7.0750   0.7204   6.3690   0.7161 0.7061000 1.016000 
1 1 1   10   26   14 o   2.6080   0.7512   2.3380   1.0280   2.8790   1.0960 -0.5409000 1.502000 
1 1 1   10   26   15 o   3.9270   0.7993   3.2480   1.1640   4.6060   1.0960 -1.358000 1.599000 
1 1 1   10   26   16 o   2.7320   0.8437   2.9760   1.2610   2.4880   1.1220 0.4882000 1.687000 
1 1 1   10   26   17 o   2.9660   0.8599   2.8210   1.2210   3.1120   1.2110 -0.2918000 1.720000 
1 1 1   10   28    0 o   2.2630   0.7146   1.9390   0.9157   2.5880   1.0970 -0.6482000 1.429000 
1 1 1   10   28    1 o   2.6390   0.7706   2.4280   1.0450   2.8500   1.1320 -0.4221000 1.541000 
1 1 1   10   28    2 o   2.4540   0.6844   1.7460   0.8360   3.1610   1.0840 -1.415000 1.369000 
1 1 1   10   28    3 o   2.7480   0.7040   3.4700   1.0650   2.0270   0.9206 1.443000 1.408000 
1 1 1   10   28    4 o   3.8610   0.7869   3.9740   1.1630   3.7470   1.0600 0.2274000 1.574000 
1 1 1   10   28    5 o   4.0390   0.7629   3.6530   1.1840   4.4240   0.9617 -0.7713000 1.526000 
1 1 1   10   28    6 o   3.9320   0.7850   4.1320   1.1570   3.7310   1.0610 0.4010000 1.570000 
1 1 1   10   28    7 o   5.5970   0.5960   6.3550   0.7893   4.8390   0.8933 1.516000 1.192000 
1 1 1   10   28    8 o   1.9260   0.6345   1.7220   0.8426   2.1310   0.9490 -0.4089000 1.269000 
1 1 1   10   28    9 o   6.6050   0.5193   6.3980   0.8061   6.8120   0.6548 -0.4147000 1.039000 
1 1 1   10   28   10 o   2.5240   0.7365   2.1390   0.9861   2.9090   1.0940 -0.7695000 1.473000 
1 1 1   10   28   11 o   6.3560   0.5757   6.3580   0.8215   6.3540   0.8067 0.3852000E-02 1.151000 
1 1 1   10   28   12 o   4.6760   0.9033   4.0780   1.3650   5.2740   1.1830 -1.195000 1.807000 
1 1 1   10   28   13 o   2.2130   0.7335   2.3000   1.0820   2.1260   0.9901 0.1736000 1.467000 
1 1 1   10   28   14 o   2.6350   1.2010   2.6350   1.2010  ?   ?       ?      ? 
1 1 1   10   30    0 o   2.9980   0.7571   4.0130   1.1910   1.9820   0.9348 2.030000 1.514000 
1 1 1   10   30    1 o   2.9740   0.8263   2.8270   1.1580   3.1200   1.1790 -0.2932000 1.653000 
1 1 1   10   30    2 o   1.7170   0.5954   1.5740   0.7855   1.8610   0.8949 -0.2866000 1.191000 
1 1 1   10   30    3 o   2.5850   0.7757   2.5430   1.0890   2.6260   1.1050 -0.8260000E-01 1.551000 
1 1 1   10   30    4 o   4.2310   0.8297   4.1380   1.2050   4.3240   1.1400 -0.1863000 1.659000 
1 1 1   10   30    5 o   5.2860   0.7172   5.9800   0.9113   4.5910   1.1080 1.389000 1.434000 
1 1 1   10   30    6 f   3.7690   0.8318   3.1220   1.3000   4.4150   1.0380 -1.292000 1.664000 
1 1 1   10   30    7 f   1.8730   0.6495   2.2360   1.0570   1.5100   0.7557 0.7264000 1.299000 
1 1 1   10   30    8 o   2.2290   0.7276   2.0420   0.9960   2.4160   1.0610 -0.3746000 1.455000 
1 1 1   11    1    0 o   15.710   0.1041   15.610   0.1461   15.810   0.1483 -0.2004000 0.2082000 
1 1 1   11    1    1 o   57.300   0.3303   57.220   0.4665   57.380   0.4677 -0.1540000 0.6606000 
1 1 1   11    1    2 o   25.690   0.2362   25.860   0.3856   25.520   0.2729 0.3446000 0.4724000 
1 1 1   11    1    3 o   55.730   0.3234   55.920   0.4590   55.530   0.4558 0.3917000 0.6468000 
1 1 1   11    1    4 o   33.750   0.2043   33.940   0.2904   33.570   0.2874 0.3659000 0.4086000 
1 1 1   11    1    5 o   77.210   0.4458   77.350   0.6316   77.070   0.6294 0.2812000 0.8916000 
1 1 1   11    1    6 o   30.770   0.1936   30.820   0.2743   30.720   0.2732 0.1041000 0.3872000 
1 1 1   11    1    7 o   8.7140   0.2706   8.1830   0.3317   9.2440   0.4277 -1.061000 0.5412000 
1 1 1   11    1    8 o   33.790   0.1987   33.740   0.2595   33.840   0.3011 -0.1051000 0.3975000 
1 1 1   11    1    9 o   35.830   0.2099   35.910   0.2751   35.760   0.3170 0.1440000 0.4197000 
1 1 1   11    1   10 o   9.1780   0.1995   9.2500   0.2586   9.1060   0.3039 0.1440000 0.3990000 
1 1 1   11    1   11 o   13.090   0.1731   12.960   0.2264   13.230   0.2618 -0.2711000 0.3461000 
1 1 1   11    1   12 o   17.570   0.1668   17.830   0.2186   17.300   0.2520 0.5320000 0.3335000 
1 1 1   11    1   13 o   13.330   0.1905   13.600   0.2487   13.070   0.2887 0.5300000 0.3811000 
1 1 1   11    1   14 o   53.210   0.3021   53.070   0.3942   53.350   0.4578 -0.2741000 0.6041000 
1 1 1   11    1   15 o   30.580   0.2714   30.460   0.3816   30.700   0.3860 -0.2429000 0.5428000 
1 1 1   11    1   16 f   23.890   0.2620   23.960   0.3688   23.820   0.3722 0.1405000 0.5239000 
1 1 1   11    1   17 o   12.830   0.2627   12.850   0.3420   12.800   0.3989 0.4982000E-01 0.5254000 
1 1 1   11    1   18 o   25.960   0.2142   26.010   0.2779   25.910   0.3261 0.1007000 0.4284000 
1 1 1   11    1   19 o   14.310   0.2550   14.240   0.3324   14.370   0.3868 -0.1318000 0.5100000 
1 1 1   11    1   20 o   16.250   0.3797   15.590   0.4554   16.910   0.6076 -1.310000 0.7593000 
1 1 1   11    1   21 o   7.6230   0.4191   7.8270   0.5272   7.4190   0.6517 0.4084000 0.8382000 
1 1 1   11    1   22 o   2.4450   0.7151   1.9200   0.8860   2.9690   1.1230 -1.049000 1.430000 
1 1 1   11    1   23 o   7.3350   0.4302   7.4490   0.5564   7.2220   0.6563 0.2272000 0.8604000 
1 1 1   11    1   24 o   12.590   0.2753   12.450   0.3644   12.730   0.4129 -0.2751000 0.5507000 
1 1 1   11    1   25 o   3.5960   0.7487   3.9280   0.9864   3.2640   1.1260 0.6641000 1.497000 
1 1 1   11    1   26 o   2.6860   0.7399   2.1070   0.9602   3.2650   1.1260 -1.159000 1.480000 
1 1 1   11    1   27 o   9.1520   0.4668   9.8130   0.6165   8.4920   0.7011 1.321000 0.9336000 
1 1 1   11    1   28 o   7.0810   0.4982   6.7910   0.7389   7.3720   0.6685 -0.5815000 0.9964000 
1 1 1   11    1   29 o   2.3790   0.7410   2.2990   1.0270   2.4590   1.0690 -0.1596000 1.482000 
1 1 1   11    1   30 o   2.1180   0.6875   2.4300   1.0600   1.8050   0.8759 0.6244000 1.375000 
1 1 1   11    1   31 f   2.5930   0.8740   2.5290   1.2200   2.6580   1.2520 -0.1285000 1.748000 
1 1 1   11    1   32 o   2.0020   0.6631   1.6060   0.7982   2.3970   1.0590 -0.7906000 1.326000 
1 1 1   11    3    0 o   19.560   0.1826  ?   ?    19.560   0.1826      ?      ? 
1 1 1   11    3    1 o   10.340   0.2093  ?   ?    10.340   0.2093      ?      ? 
1 1 1   11    3    2 o   14.510   0.1547   14.610   0.2159   14.400   0.2215 0.2073000 0.3093000 
1 1 1   11    3    3 o   21.840   0.1765   21.820   0.2495   21.860   0.2497 -0.4249000E-01 0.3530000 
1 1 1   11    3    4 o   29.240   0.1836   29.230   0.2597   29.250   0.2597 -0.2723000E-01 0.3673000 
1 1 1   11    3    5 f   32.580   0.2024   32.530   0.2858   32.620   0.2866 -0.9692000E-01 0.4048000 
1 1 1   11    3    6 o   4.6330   0.3254   4.1440   0.4753   5.1210   0.4446 -0.9776000 0.6508000 
1 1 1   11    3    7 o   18.820   0.2263   18.880   0.2681   18.750   0.3647 0.1348000 0.4527000 
1 1 1   11    3    8 o   25.000   0.1760   25.070   0.2490   24.930   0.2487 0.1328000 0.3519000 
1 1 1   11    3    9 o   26.080   0.1826   26.090   0.2584   26.070   0.2581 0.2018000E-01 0.3653000 
1 1 1   11    3   10 o   22.600   0.1744   22.630   0.2473   22.570   0.2459 0.5716000E-01 0.3487000 
1 1 1   11    3   11 o   4.9610   0.4037   5.3050   0.5294   4.6160   0.6097 0.6881000 0.8075000 
1 1 1   11    3   12 o   19.170   0.2048   19.380   0.3201   18.960   0.2555 0.4240000 0.4096000 
1 1 1   11    3   13 o   15.820   0.1804   15.710   0.2381   15.920   0.2711 -0.2048000 0.3608000 
1 1 1   11    3   14 o   11.140   0.2406   10.600   0.3243   11.670   0.3555 -1.067000 0.4812000 
1 1 1   11    3   15 f   13.150   0.3012   12.920   0.4260   13.380   0.4258 -0.4567000 0.6023000 
1 1 1   11    3   16 o   40.840   0.2510   40.600   0.3276   41.080   0.3804 -0.4823000 0.5020000 
1 1 1   11    3   17 o   22.640   0.2088   22.590   0.2719   22.680   0.3169 -0.9351000E-01 0.4176000 
1 1 1   11    3   18 o   22.670   0.2136   22.650   0.2778   22.680   0.3246 -0.2427000E-01 0.4273000 
1 1 1   11    3   19 o   24.950   0.2130   24.730   0.2773   25.170   0.3234 -0.4449000 0.4260000 
1 1 1   11    3   20 o   7.5950   0.6701   7.4660   0.8105   7.7240   1.0670 -0.2583000 1.340000 
1 1 1   11    3   21 o   12.720   0.2669   12.960   0.3469   12.480   0.4058 0.4834000 0.5339000 
1 1 1   11    3   22 f   13.670   0.2559   13.470   0.3349   13.880   0.3871 -0.4108000 0.5119000 
1 1 1   11    3   23 o   6.5080   0.5104   7.6760   0.5248   5.3400   0.8756 2.336000 1.021000 
1 1 1   11    3   24 o   3.7430   0.7425   3.2050   1.0470   4.2810   1.0530 -1.077000 1.485000 
1 1 1   11    3   25 o   5.3510   0.5938   6.0400   0.6556   4.6620   0.9903 1.378000 1.188000 
1 1 1   11    3   26 f   8.3750   0.3778   8.1930   0.4999   8.5570   0.5665 -0.3647000 0.7555000 
1 1 1   11    3   27 f   7.8680   0.5238   7.9300   0.7248   7.8050   0.7563 0.1253000 1.048000 
1 1 1   11    3   28 o   2.2280   0.6981   2.1470   0.9588   2.3080   1.0150 -0.1608000 1.396000 
1 1 1   11    3   29 o   5.6740   0.6187   6.3800   0.6858   4.9690   1.0300 1.411000 1.237000 
1 1 1   11    3   30 o   2.6070   0.7300   3.1940   1.1110   2.0200   0.9473 1.174000 1.460000 
1 1 1   11    3   31 o   2.8110   0.8979   2.6620   1.2000   2.9610   1.3360 -0.2984000 1.796000 
1 1 1   11    3   32 o   2.5770   0.7639   2.5050   1.0470   2.6500   1.1130 -0.1451000 1.528000 
1 1 1   11    5    0 o   68.190   0.3419   68.070   0.4828   68.320   0.4844 -0.2477000 0.6839000 
1 1 1   11    5    1 o   70.400   0.3811   70.240   0.5749   70.550   0.5003 -0.3131000 0.7621000 
1 1 1   11    5    2 o   31.240   0.1948   31.460   0.2772   31.020   0.2737 0.4413000 0.3895000 
1 1 1   11    5    3 o   47.110   0.2793   46.850   0.3929   47.370   0.3970 -0.5267000 0.5586000 
1 1 1   11    5    4 o   23.340   0.1996   22.790   0.2706   23.890   0.2936 -1.095000 0.3993000 
1 1 1   11    5    5 o   40.320   0.2732   40.190   0.3459   40.450   0.4230 -0.2551000 0.5464000 
1 1 1   11    5    6 o   38.370   0.2918   38.270   0.4126   38.470   0.4127 -0.1994000 0.5836000 
1 1 1   11    5    7 o   31.740   0.2062   31.780   0.2919   31.700   0.2914 0.8751000E-01 0.4124000 
1 1 1   11    5    8 o   20.300   0.1668   20.260   0.2362   20.330   0.2356 -0.6371000E-01 0.3336000 
1 1 1   11    5    9 f   42.100   0.2595   42.480   0.3700   41.720   0.3639 0.7543000 0.5190000 
1 1 1   11    5   10 o   17.540   0.1754   17.770   0.2489   17.310   0.2473 0.4539000 0.3509000 
1 1 1   11    5   11 o   27.040   0.1972   27.020   0.2789   27.060   0.2788 -0.4640000E-01 0.3943000 
1 1 1   11    5   12 o   37.360   0.2420   37.440   0.3430   37.280   0.3415 0.1579000 0.4840000 
1 1 1   11    5   13 o   29.720   0.2147   29.670   0.3037   29.770   0.3035 -0.1029000 0.4293000 
1 1 1   11    5   14 o   40.130   0.2896   40.080   0.4470   40.180   0.3684 -0.9871000E-01 0.5793000 
1 1 1   11    5   15 o   26.890   0.3239   26.930   0.5248   26.860   0.3798 0.6528000E-01 0.6478000 
1 1 1   11    5   16 o   30.210   0.2316   30.140   0.3285   30.280   0.3267 -0.1363000 0.4633000 
1 1 1   11    5   17 o   32.160   0.2410   32.660   0.3442   31.650   0.3375 1.008000 0.4820000 
1 1 1   11    5   18 o   6.7160   0.4731   6.5360   0.6440   6.8960   0.6931 -0.3595000 0.9461000 
1 1 1   11    5   19 o   15.930   0.3826   16.020   0.4507   15.850   0.6183 0.1687000 0.7652000 
1 1 1   11    5   20 o   10.120   0.3850   9.5210   0.5197   10.720   0.5682 -1.203000 0.7700000 
1 1 1   11    5   21 o   11.040   0.3003   11.070   0.3905   11.000   0.4563 0.6658000E-01 0.6005000 
1 1 1   11    5   22 o   9.0680   0.3462   8.8800   0.4624   9.2570   0.5155 -0.3778000 0.6925000 
1 1 1   11    5   23 o   4.5960   0.6669   4.9740   0.8218   4.2170   1.0510 0.7568000 1.334000 
1 1 1   11    5   24 o   6.6870   0.4829   7.6640   0.5281   5.7090   0.8086 1.955000 0.9658000 
1 1 1   11    5   25 o   1.7190   0.5838   1.5420   0.7521   1.8970   0.8931 -0.3549000 1.168000 
1 1 1   11    5   26 o   7.2920   0.4298   7.5380   0.5421   7.0450   0.6672 0.4929000 0.8597000 
1 1 1   11    5   27 o   3.0820   0.8442   3.4440   1.2400   2.7200   1.1460 0.7237000 1.688000 
1 1 1   11    5   28 o   4.1380   0.7557   3.9170   1.0510   4.3600   1.0860 -0.4436000 1.511000 
1 1 1   11    5   29 o   2.1500   0.6769   2.4390   1.0170   1.8600   0.8938 0.5788000 1.354000 
1 1 1   11    5   30 f   2.3670   0.7174   2.7020   1.0760   2.0320   0.9494 0.6703000 1.435000 
1 1 1   11    5   31 o   1.9030   0.6714   1.8740   0.9296   1.9320   0.9689 -0.5832000E-01 1.343000 
1 1 1   11    5   32 o   1.9020   0.6389   2.0300   0.9408   1.7730   0.8648 0.2567000 1.278000 
1 1 1   11    7    0 o   73.940   0.3723   73.730   0.5248   74.160   0.5282 -0.4340000 0.7446000 
1 1 1   11    7    1 o   48.140   0.2866   48.020   0.4046   48.260   0.4060 -0.2357000 0.5732000 
1 1 1   11    7    2 o   18.060   0.1536   17.800   0.2152   18.310   0.2193 -0.5130000 0.3073000 
1 1 1   11    7    3 o   15.930   0.1858   15.470   0.2720   16.390   0.2531 -0.9169000 0.3716000 
1 1 1   11    7    4 o   40.520   0.3057   40.160   0.4286   40.890   0.4360 -0.7290000 0.6114000 
1 1 1   11    7    5 o   11.790   0.2224   11.860   0.3168   11.730   0.3122 0.1343000 0.4448000 
1 1 1   11    7    6 f   17.130   0.1692   17.160   0.2334   17.090   0.2451 0.6798000E-01 0.3385000 
1 1 1   11    7    7 o   10.900   0.1978   10.490   0.2864   11.320   0.2728 -0.8268000 0.3955000 
1 1 1   11    7    8 o   16.700   0.1765   16.870   0.2503   16.540   0.2488 0.3336000 0.3529000 
1 1 1   11    7    9 o   23.410   0.1873   23.460   0.2670   23.370   0.2629 0.9364000E-01 0.3747000 
1 1 1   11    7   10 f   9.4250   0.2477   9.3660   0.3574   9.4840   0.3430 -0.1180000 0.4953000 
1 1 1   11    7   11 o   23.080   0.2208   22.690   0.3474   23.460   0.2726 -0.7620000 0.4416000 
1 1 1   11    7   12 o   48.320   0.2988   48.130   0.4215   48.510   0.4236 -0.3861000 0.5976000 
1 1 1   11    7   13 o   18.640   0.2280   18.520   0.3473   18.760   0.2954 -0.2448000 0.4560000 
1 1 1   11    7   14 o   24.150   0.3184   24.270   0.5139   24.030   0.3762 0.2387000 0.6369000 
1 1 1   11    7   15 o   44.470   0.2867   44.560   0.4069   44.380   0.4041 0.1765000 0.5735000 
1 1 1   11    7   16 o   24.940   0.2257   24.780   0.3204   25.100   0.3179 -0.3224000 0.4514000 
1 1 1   11    7   17 o   24.970   0.2285   24.790   0.3238   25.150   0.3225 -0.3613000 0.4571000 
1 1 1   11    7   18 o   9.9710   0.3491  10.0000   0.4946   9.9380   0.4928 0.6517000E-01 0.6982000 
1 1 1   11    7   19 o   8.0110   0.6401   8.0950   0.7697   7.9270   1.0230 0.1682000 1.280000 
1 1 1   11    7   20 o   10.500   0.3347   10.800   0.4660   10.200   0.4805 0.6018000 0.6694000 
1 1 1   11    7   21 o   6.9580   0.4803   7.0260   0.6682   6.8890   0.6902 0.1370000 0.9607000 
1 1 1   11    7   22 o   9.5750   0.3351   9.0420   0.4584   10.110   0.4888 -1.067000 0.6701000 
1 1 1   11    7   23 o   6.8850   0.4491   6.7430   0.6061   7.0280   0.6629 -0.2849000 0.8982000 
1 1 1   11    7   24 o   10.760   0.3068   10.850   0.4014   10.670   0.4641 0.1788000 0.6136000 
1 1 1   11    7   25 o   3.0240   0.7515   2.4630   1.0030   3.5840   1.1190 -1.121000 1.503000 
1 1 1   11    7   26 f   2.8790   0.8036   2.4160   1.0090   3.3410   1.2510 -0.9244000 1.607000 
1 1 1   11    7   27 o   6.7460   0.5729   7.1450   0.8470   6.3470   0.7717 0.7981000 1.146000 
1 1 1   11    7   28 o   2.1050   0.6755   1.7930   0.8484   2.4170   1.0510 -0.6235000 1.351000 
1 1 1   11    7   29 o   3.5500   0.7461   2.4490   1.0270   4.6520   1.0830 -2.203000 1.492000 
1 1 1   11    7   30 o   2.8230   0.7520   2.0720   0.9443   3.5740   1.1710 -1.502000 1.504000 
1 1 1   11    7   31 o   2.6830   0.8196   2.9510   1.1670   2.4150   1.1510 0.5360000 1.639000 
1 1 1   11    9    0 o   31.750   0.2094   31.570   0.2943   31.930   0.2979 -0.3565000 0.4188000 
1 1 1   11    9    1 o   11.990   0.2133   11.280   0.3354   12.690   0.2638 -1.406000 0.4267000 
1 1 1   11    9    2 o   28.140   0.2187   27.930   0.3365   28.340   0.2795 -0.4039000 0.4374000 
1 1 1   11    9    3 o   7.5370   0.2432   7.3700   0.3640   7.7050   0.3225 -0.3345000 0.4863000 
1 1 1   11    9    4 o   11.320   0.1972   11.090   0.2799   11.560   0.2779 -0.4719000 0.3945000 
1 1 1   11    9    5 o   22.960   0.1814   23.130   0.2562   22.800   0.2569 0.3259000 0.3628000 
1 1 1   11    9    6 o   6.6360   0.3065   6.8360   0.4248   6.4350   0.4420 0.4015000 0.6130000 
1 1 1   11    9    7 o   17.290   0.1839   17.310   0.2580   17.280   0.2621 0.3363000E-01 0.3677000 
1 1 1   11    9    8 o   46.350   0.2865   46.120   0.4029   46.580   0.4075 -0.4614000 0.5730000 
1 1 1   11    9    9 o   24.410   0.1968   24.250   0.2772   24.580   0.2794 -0.3252000 0.3936000 
1 1 1   11    9   10 o   17.330   0.2001   17.280   0.2843   17.380   0.2815 -0.9475000E-01 0.4001000 
1 1 1   11    9   11 o   40.920   0.2645   40.890   0.3750   40.940   0.3732 -0.5330000E-01 0.5290000 
1 1 1   11    9   12 o   44.630   0.3147   44.530   0.4849   44.730   0.4012 -0.2003000 0.6294000 
1 1 1   11    9   13 o   28.910   0.2845   28.910   0.4115   28.920   0.3931 -0.1048000E-01 0.5691000 
1 1 1   11    9   14 o   30.960   0.2352   31.020   0.3356   30.900   0.3297 0.1205000 0.4704000 
1 1 1   11    9   15 o   23.070   0.2287   22.860   0.3260   23.280   0.3209 -0.4189000 0.4575000 
1 1 1   11    9   16 o   3.7160   0.7606   2.8710   1.1290   4.5600   1.0200 -1.689000 1.521000 
1 1 1   11    9   17 o   6.4810   0.5154   6.3710   0.7379   6.5920   0.7197 -0.2210000 1.031000 
1 1 1   11    9   18 o   12.760   0.4262   12.110   0.5501   13.420   0.6511 -1.311000 0.8524000 
1 1 1   11    9   19 o   7.5960   0.4456   7.2660   0.6646   7.9260   0.5938 -0.6600000 0.8912000 
1 1 1   11    9   20 o   18.600   0.2396   18.500   0.3418   18.690   0.3359 -0.1866000 0.4793000 
1 1 1   11    9   21 f   6.1340   0.5463   6.7120   0.7137   5.5560   0.8273 1.156000 1.093000 
1 1 1   11    9   22 o   7.0400   0.4811   6.8990   0.6957   7.1810   0.6647 -0.2816000 0.9622000 
1 1 1   11    9   23 o   10.140   0.3404   10.250   0.4789   10.020   0.4840 0.2302000 0.6808000 
1 1 1   11    9   24 o   4.9290   0.6716   5.3940   0.8794   4.4640   1.0150 0.9301000 1.343000 
1 1 1   11    9   25 o   8.8170   0.3932   9.0060   0.5467   8.6270   0.5653 0.3796000 0.7864000 
1 1 1   11    9   26 o   5.4870   1.1000  ?   ?    5.4870   1.1000      ?      ? 
1 1 1   11    9   27 o   3.1760   0.7538   3.7830   1.0540   2.5690   1.0780 1.215000 1.508000 
1 1 1   11    9   28 o   4.8440   0.6962   5.4350   0.8047   4.2540   1.1360 1.181000 1.392000 
1 1 1   11    9   29 o   2.8850   0.7804   3.1290   1.1120   2.6400   1.0950 0.4884000 1.561000 
1 1 1   11    9   30 o   2.1900   0.7470   2.2140   1.0510   2.1650   1.0620 0.4857000E-01 1.494000 
1 1 1   11    9   31 o   2.4430   0.7471   2.4630   1.0500   2.4220   1.0630 0.4083000E-01 1.494000 
1 1 1   11   11    0 o   10.830   0.1914   10.680   0.2720   10.970   0.2694 -0.2884000 0.3828000 
1 1 1   11   11    1 o   26.060   0.1693   26.350   0.2392   25.780   0.2398 0.5684000 0.3387000 
1 1 1   11   11    2 o   20.360   0.1970   20.760   0.3231   19.960   0.2255 0.7999000 0.3940000 
1 1 1   11   11    3 o   10.240   0.2162   9.9270   0.3278   10.550   0.2819 -0.6210000 0.4324000 
1 1 1   11   11    4 o   14.190   0.1866   14.030   0.2841   14.360   0.2419 -0.3238000 0.3731000 
1 1 1   11   11    5 o   20.230   0.1890   20.430   0.2673   20.030   0.2673 0.4003000 0.3780000 
1 1 1   11   11    6 o   13.690   0.2086   13.560   0.2961   13.820   0.2941 -0.2557000 0.4173000 
1 1 1   11   11    7 o   22.810   0.1954   22.770   0.2772   22.840   0.2756 -0.6590000E-01 0.3909000 
1 1 1   11   11    8 o   18.630   0.1986   18.440   0.2844   18.810   0.2774 -0.3705000 0.3973000 
1 1 1   11   11    9 o   14.710   0.2283   14.720   0.3211   14.700   0.3247 0.1962000E-01 0.4567000 
1 1 1   11   11   10 o   26.450   0.2550   26.410   0.3605   26.490   0.3608 -0.7979000E-01 0.5100000 
1 1 1   11   11   11 o   51.060   0.4747   51.130   0.7720   50.980   0.5524 0.1479000 0.9493000 
1 1 1   11   11   12 o   6.5040   0.4867   5.6580   0.7733   7.3510   0.5912 -1.693000 0.9734000 
1 1 1   11   11   13 o   23.140   0.2256   22.870   0.3194   23.400   0.3186 -0.5250000 0.4512000 
1 1 1   11   11   14 o   38.060   0.2629   38.220   0.3741   37.890   0.3695 0.3351000 0.5258000 
1 1 1   11   11   15 o   31.750   0.2423   31.720   0.3448   31.770   0.3406 -0.5011000E-01 0.4847000 
1 1 1   11   11   16 o   16.840   0.2728   17.170   0.3599   16.510   0.4100 0.6536000 0.5456000 
1 1 1   11   11   17 o   24.670   0.3453   24.390   0.4305   24.960   0.5399 -0.5696000 0.6905000 
1 1 1   11   11   18 o   13.410   0.2832   13.420   0.4071   13.400   0.3937 0.2525000E-01 0.5663000 
1 1 1   11   11   19 o   21.670   0.2351   21.870   0.3380   21.460   0.3270 0.4077000 0.4703000 
1 1 1   11   11   20 o   10.930   0.3204   11.170   0.4535   10.700   0.4527 0.4760000 0.6408000 
1 1 1   11   11   21 o   6.6950   0.4925   6.7850   0.6907   6.6050   0.7024 0.1799000 0.9851000 
1 1 1   11   11   22 o   12.090   0.2980   12.300   0.4191   11.880   0.4239 0.4127000 0.5961000 
1 1 1   11   11   23 o   3.2890   0.7963   3.2470   1.1320   3.3310   1.1200 -0.8398000E-01 1.593000 
1 1 1   11   11   24 o   4.3900   0.7287   5.1330   0.9418   3.6470   1.1120 1.486000 1.457000 
1 1 1   11   11   25 o   5.5900   0.8920   5.9530   1.3740   5.2270   1.1380 0.7256000 1.784000 
1 1 1   11   11   26 o   9.4710   0.3812   9.6130   0.5374   9.3290   0.5407 0.2842000 0.7624000 
1 1 1   11   11   27 f   2.7040   0.7793   2.5460   1.0720   2.8620   1.1320 -0.3166000 1.559000 
1 1 1   11   11   28 o   4.2180   0.6954   5.9210   0.8771   2.5160   1.0790 3.404000 1.391000 
1 1 1   11   11   29 o   2.6280   0.8484   2.2300   1.0560   3.0270   1.3280 -0.7975000 1.697000 
1 1 1   11   11   30 o   2.3600   0.7281   1.9800   0.9225   2.7410   1.1270 -0.7617000 1.456000 
1 1 1   11   13    0 o   19.040   0.1697   18.800   0.2397   19.280   0.2403 -0.4748000 0.3395000 
1 1 1   11   13    1 o   30.150   0.1882   30.260   0.2663   30.050   0.2661 0.2089000 0.3765000 
1 1 1   11   13    2 o   40.340   0.2447   40.620   0.3213   40.070   0.3693 0.5443000 0.4895000 
1 1 1   11   13    3 o   22.760   0.1884   23.000   0.2856   22.530   0.2458 0.4747000 0.3768000 
1 1 1   11   13    4 o   10.520   0.2484   10.330   0.3790   10.720   0.3212 -0.3889000 0.4968000 
1 1 1   11   13    5 o   10.760   0.2525   10.810   0.3803   10.710   0.3322 0.9691000E-01 0.5050000 
1 1 1   11   13    6 o   34.970   0.2405   34.890   0.3398   35.060   0.3403 -0.1727000 0.4809000 
1 1 1   11   13    7 o   27.330   0.2376   27.360   0.3640   27.300   0.3056 0.5919000E-01 0.4752000 
1 1 1   11   13    8 o   31.080   0.2523   31.370   0.3877   30.800   0.3231 0.5692000 0.5047000 
1 1 1   11   13    9 o   23.540   0.2742   23.940   0.3919   23.140   0.3838 0.8011000 0.5485000 
1 1 1   11   13   10 o   34.400   0.2490   34.420   0.3533   34.370   0.3511 0.5294000E-01 0.4981000 
1 1 1   11   13   11 o   17.510   0.2437   17.660   0.3391   17.360   0.3502 0.2964000 0.4875000 
1 1 1   11   13   12 o   17.970   0.2442   17.610   0.3431   18.330   0.3476 -0.7198000 0.4884000 
1 1 1   11   13   13 o   12.210   0.3419   13.060   0.4005   11.370   0.5542 1.691000 0.6838000 
1 1 1   11   13   14 o   24.180   0.2329   24.210   0.3260   24.160   0.3326 0.4368000E-01 0.4657000 
1 1 1   11   13   15 o   13.790   0.3984   13.780   0.5099   13.790   0.6123 -0.1082000E-01 0.7968000 
1 1 1   11   13   16 f   29.610   0.2688   29.160   0.3408   30.060   0.4157 -0.8913000 0.5375000 
1 1 1   11   13   17 f   10.580   0.3690   11.290   0.4617   9.8710   0.5758 1.419000 0.7380000 
1 1 1   11   13   18 o   6.2120   0.5340   6.1950   0.7769   6.2300   0.7327 -0.3433000E-01 1.068000 
1 1 1   11   13   19 o   8.6900   0.3816   8.6630   0.5466   8.7170   0.5326 -0.5397000E-01 0.7631000 
1 1 1   11   13   20 o   6.9560   0.4793   6.8280   0.7068   7.0840   0.6474 -0.2562000 0.9585000 
1 1 1   11   13   21 o   8.2680   0.4086   8.1130   0.6010   8.4230   0.5539 -0.3098000 0.8173000 
1 1 1   11   13   22 o   4.5090   0.7275   4.5680   1.0440   4.4490   1.0140 0.1189000 1.455000 
1 1 1   11   13   23 f   6.1050   0.5646   6.7750   0.7300   5.4340   0.8615 1.340000 1.129000 
1 1 1   11   13   24 f   2.2670   0.7497   2.0620   1.0080   2.4730   1.1100 -0.4106000 1.499000 
1 1 1   11   13   25 o   5.4240   0.6685   4.4840   1.0990   6.3640   0.7619 -1.880000 1.337000 
1 1 1   11   13   26 o   2.3260   0.7150   2.7950   1.1200   1.8560   0.8889 0.9384000 1.430000 
1 1 1   11   13   27 o   2.2210   0.7119   2.2580   1.0160   2.1840   0.9972 0.7414000E-01 1.424000 
1 1 1   11   13   28 o   2.7640   0.8759   3.0170   1.2920   2.5120   1.1830 0.5047000 1.752000 
1 1 1   11   13   29 o   1.8850   0.6372   2.1860   1.0020   1.5840   0.7870 0.6025000 1.274000 
1 1 1   11   15    0 o   20.460   0.2342   20.170   0.3632   20.750   0.2956 -0.5818000 0.4683000 
1 1 1   11   15    1 o   22.120   0.2343   21.920   0.3631   22.330   0.2962 -0.4063000 0.4686000 
1 1 1   11   15    2 o   22.690   0.2098   22.620   0.2960   22.770   0.2976 -0.1494000 0.4197000 
1 1 1   11   15    3 o   37.620   0.2823   37.750   0.4364   37.500   0.3582 0.2449000 0.5645000 
1 1 1   11   15    4 o   29.950   0.2530   30.720   0.3951   29.190   0.3162 1.537000 0.5061000 
1 1 1   11   15    5 o   13.250   0.2976   13.620   0.4525   12.890   0.3866 0.7273000 0.5951000 
1 1 1   11   15    6 o   9.0110   0.4297   8.3140   0.7039   9.7090   0.4932 -1.395000 0.8595000 
1 1 1   11   15    7 o   45.530   0.3158   45.960   0.5184   45.100   0.3606 0.8675000 0.6315000 
1 1 1   11   15    8 o   41.140   0.2771   40.990   0.3911   41.290   0.3927 -0.3003000 0.5542000 
1 1 1   11   15    9 o   27.380   0.2336   27.270   0.3299   27.500   0.3309 -0.2240000 0.4672000 
1 1 1   11   15   10 o   15.920   0.2559   15.840   0.3633   16.000   0.3605 -0.1578000 0.5118000 
1 1 1   11   15   11 o   14.030   0.2758   13.880   0.3890   14.180   0.3912 -0.2960000 0.5517000 
1 1 1   11   15   12 o   3.0260   0.7831   2.2700   1.0010   3.7820   1.2050 -1.513000 1.566000 
1 1 1   11   15   13 o   13.960   0.3912   14.000   0.5007   13.920   0.6013 0.7609000E-01 0.7825000 
1 1 1   11   15   14 o   17.940   0.3130   17.900   0.4635   17.980   0.4207 -0.7394000E-01 0.6260000 
1 1 1   11   15   15 o   20.320   0.2395   19.990   0.3435   20.650   0.3340 -0.6582000 0.4791000 
1 1 1   11   15   16 o   9.3600   0.3725   9.1860   0.5376   9.5340   0.5158 -0.3482000 0.7450000 
1 1 1   11   15   17 o   13.150   0.2855   12.770   0.4144   13.530   0.3929 -0.7529000 0.5710000 
1 1 1   11   15   18 o   8.6690   0.3873   8.4630   0.5618   8.8750   0.5334 -0.4114000 0.7747000 
1 1 1   11   15   19 o   10.260   0.3345   9.9710   0.4894   10.550   0.4560 -0.5826000 0.6689000 
1 1 1   11   15   20 o   4.9190   0.6719   5.7990   0.8078   4.0380   1.0740 1.760000 1.344000 
1 1 1   11   15   21 o   7.7660   0.4264   7.1750   0.6502   8.3580   0.5518 -1.184000 0.8528000 
1 1 1   11   15   22 o   3.1290   0.8078   3.4070   1.1920   2.8500   1.0910 0.5574000 1.616000 
1 1 1   11   15   23 o   2.5580   0.8187   2.4240   1.1450   2.6920   1.1700 -0.2682000 1.637000 
1 1 1   11   15   24 o   7.3330   0.4758   7.2700   0.6812   7.3960   0.6644 -0.1261000 0.9516000 
1 1 1   11   15   25 f   2.2000   0.7041   2.2280   1.0080   2.1720   0.9837 0.5604000E-01 1.408000 
1 1 1   11   15   26 o   4.3840   0.7845   4.1840   1.1610   4.5830   1.0550 -0.3991000 1.569000 
1 1 1   11   15   27 o   3.1570   0.9420   3.4040   1.3680   2.9100   1.2950 0.4938000 1.884000 
1 1 1   11   15   28 o   2.5370   0.7749   2.6080   1.1200   2.4660   1.0710 0.1417000 1.550000 
1 1 1   11   17    0 f   11.610   0.3050   11.580   0.4267   11.630   0.4361 -0.5015000E-01 0.6101000 
1 1 1   11   17    1 o   12.690   0.2903   12.370   0.4116   13.010   0.4095 -0.6305000 0.5806000 
1 1 1   11   17    2 o   10.840   0.2838   10.600   0.4074   11.080   0.3952 -0.4773000 0.5676000 
1 1 1   11   17    3 o   7.2500   0.4845   7.4760   0.6488   7.0240   0.7198 0.4512000 0.9691000 
1 1 1   11   17    4 o   9.4850   0.3515   9.6250   0.5256   9.3450   0.4668 0.2802000 0.7029000 
1 1 1   11   17    5 o   16.530   0.2385   16.680   0.3566   16.380   0.3169 0.3017000 0.4771000 
1 1 1   11   17    6 o   15.770   0.2396   15.830   0.3589   15.710   0.3175 0.1157000 0.4792000 
1 1 1   11   17    7 o   5.9960   0.5648   5.1130   0.9512   6.8780   0.6092 -1.765000 1.130000 
1 1 1   11   17    8 f   26.470   0.2212   26.630   0.3331   26.320   0.2912 0.3123000 0.4424000 
1 1 1   11   17    9 o   21.880   0.2331   21.830   0.3326   21.930   0.3268 -0.1034000 0.4663000 
1 1 1   11   17   10 o   8.8490   0.5020   8.8340   0.7447   8.8640   0.6734 -0.3024000E-01 1.004000 
1 1 1   11   17   11 o   9.2530   0.4800   9.2410   0.7156   9.2660   0.6399 -0.2464000E-01 0.9600000 
1 1 1   11   17   12 o   8.0090   0.4297   7.4750   0.6366   8.5420   0.5773 -1.066000 0.8594000 
1 1 1   11   17   13 o   11.790   0.3153   12.320   0.4307   11.260   0.4604 1.062000 0.6305000 
1 1 1   11   17   14 o   17.040   0.2581   16.700   0.3670   17.380   0.3629 -0.6787000 0.5161000 
1 1 1   11   17   15 o   12.590   0.2987   12.390   0.4380   12.790   0.4062 -0.4027000 0.5974000 
1 1 1   11   17   16 o   5.9030   0.5718   6.0230   0.8018   5.7830   0.8154 0.2400000 1.144000 
1 1 1   11   17   17 o   9.0800   0.3858   8.5510   0.5735   9.6100   0.5161 -1.059000 0.7715000 
1 1 1   11   17   18 o   9.5400   0.3671   9.6850   0.5160   9.3940   0.5224 0.2912000 0.7343000 
1 1 1   11   17   19 o   2.9410   0.7564   3.4970   1.1190   2.3840   1.0190 1.112000 1.513000 
1 1 1   11   17   20 o   6.9930   0.4693   7.5500   0.6185   6.4360   0.7060 1.114000 0.9386000 
1 1 1   11   17   21 o   4.4640   0.9615   4.5460   1.4360   4.3830   1.2790 0.1637000 1.923000 
1 1 1   11   17   22 o   2.5400   0.7531   2.5740   1.0780   2.5050   1.0520 0.6898000E-01 1.506000 
1 1 1   11   17   23 o   3.4670   0.6490   5.1700   0.9792   1.7630   0.8521 3.407000 1.298000 
1 1 1   11   17   24 o   2.4050   0.7332   2.8390   1.1360   1.9720   0.9270 0.8673000 1.466000 
1 1 1   11   17   25 o   3.0400   0.7722   3.9040   1.1810   2.1750   0.9950 1.729000 1.544000 
1 1 1   11   17   26 o   2.3010   0.7653   2.6280   1.1790   1.9730   0.9761 0.6548000 1.531000 
1 1 1   11   17   27 o   3.0890   0.7558   2.0910   0.9751   4.0860   1.1550 -1.996000 1.512000 
1 1 1   11   19    0 o   17.080   0.2218   17.050   0.3123   17.120   0.3151 -0.6170000E-01 0.4436000 
1 1 1   11   19    1 o   22.850   0.2340   22.770   0.3329   22.930   0.3288 -0.1587000 0.4679000 
1 1 1   11   19    2 f   26.630   0.2356   26.780   0.3350   26.470   0.3313 0.3133000 0.4712000 
1 1 1   11   19    3 o   22.860   0.2362   22.670   0.3386   23.060   0.3295 -0.3909000 0.4724000 
1 1 1   11   19    4 o   12.450   0.3060   12.280   0.4529   12.620   0.4115 -0.3395000 0.6119000 
1 1 1   11   19    5 o   17.850   0.2507   17.790   0.3641   17.910   0.3446 -0.1166000 0.5013000 
1 1 1   11   19    6 o   6.9630   0.4627   6.7870   0.7172   7.1400   0.5848 -0.3531000 0.9254000 
1 1 1   11   19    7 o   3.7430   0.8106   5.0440   1.2370   2.4410   1.0480 2.603000 1.621000 
1 1 1   11   19    8 o   10.950   0.4155   10.550   0.6198   11.340   0.5534 -0.7909000 0.8309000 
1 1 1   11   19    9 o   13.490   0.2701   13.290   0.4125   13.690   0.3489 -0.4024000 0.5403000 
1 1 1   11   19   10 o   9.2910   0.3516   9.3520   0.5353   9.2290   0.4561 0.1230000 0.7032000 
1 1 1   11   19   11 o   8.3450   0.4075   8.6570   0.5657   8.0340   0.5867 0.6232000 0.8150000 
1 1 1   11   19   12 o   7.4880   0.4651   7.4580   0.6634   7.5170   0.6519 -0.5830000E-01 0.9301000 
1 1 1   11   19   13 o   10.250   0.3554   10.230   0.5007   10.270   0.5044 -0.4731000E-01 0.7108000 
1 1 1   11   19   14 o   11.590   0.3255   11.920   0.4444   11.260   0.4757 0.6603000 0.6510000 
1 1 1   11   19   15 o   5.7430   0.6100   6.2160   0.7847   5.2700   0.9342 0.9454000 1.220000 
1 1 1   11   19   16 o   7.6450   0.4445   7.7770   0.6209   7.5130   0.6363 0.2633000 0.8891000 
1 1 1   11   19   17 o   6.8890   0.4885   6.5290   0.7258   7.2480   0.6541 -0.7190000 0.9771000 
1 1 1   11   19   18 o   2.9180   0.7460   3.6350   1.1240   2.2000   0.9817 1.435000 1.492000 
1 1 1   11   19   19 o   3.0020   0.8871   2.9030   1.2600   3.1010   1.2490 -0.1980000 1.774000 
1 1 1   11   19   20 o   2.0380   0.6779   2.0340   0.9699   2.0420   0.9475 -0.7690000E-02 1.356000 
1 1 1   11   19   21 o   3.7000   0.8244   3.5520   1.1860   3.8480   1.1450 -0.2965000 1.649000 
1 1 1   11   19   22 o   3.6860   0.8014   4.3750   1.1290   2.9970   1.1380 1.378000 1.603000 
1 1 1   11   19   23 o   2.2150   0.7078   2.0250   0.9496   2.4060   1.0500 -0.3807000 1.416000 
1 1 1   11   19   24 o   3.6590   0.9385   2.5670   1.1660   4.7510   1.4710 -2.184000 1.877000 
1 1 1   11   19   25 o   4.4040   0.8145   4.8170   1.1140   3.9910   1.1880 0.8264000 1.629000 
1 1 1   11   21    0 o   19.420   0.2491   19.870   0.3517   18.970   0.3529 0.8945000 0.4982000 
1 1 1   11   21    1 o   6.4250   0.6011   7.9640   0.6412   4.8860   1.0170 3.078000 1.202000 
1 1 1   11   21    2 o   13.910   0.2879   14.220   0.3972   13.600   0.4168 0.6214000 0.5757000 
1 1 1   11   21    3 o   17.190   0.2221   16.910   0.3129   17.470   0.3154 -0.5605000 0.4443000 
1 1 1   11   21    4 o   19.720   0.2311   19.750   0.3515   19.700   0.3002 0.4831000E-01 0.4622000 
1 1 1   11   21    5 o   7.6110   0.4446   7.1050   0.7231   8.1160   0.5175 -1.011000 0.8892000 
1 1 1   11   21    6 o   3.4030   0.7793   3.6850   1.1410   3.1200   1.0620 0.5651000 1.559000 
1 1 1   11   21    7 o   8.7350   0.3728   9.1620   0.5475   8.3080   0.5062 0.8541000 0.7456000 
1 1 1   11   21    8 o   8.0160   0.3984   8.2210   0.5855   7.8110   0.5404 0.4096000 0.7968000 
1 1 1   11   21    9 o   6.8540   0.4517   6.6960   0.6967   7.0120   0.5750 -0.3163000 0.9033000 
1 1 1   11   21   10 o   8.3850   0.3896   8.1960   0.5985   8.5750   0.4989 -0.3792000 0.7792000 
1 1 1   11   21   11 o   8.8960   0.3718   8.4890   0.5811   9.3030   0.4639 -0.8138000 0.7436000 
1 1 1   11   21   12 o   4.8380   0.6592   4.3450   1.0690   5.3300   0.7719 -0.9843000 1.318000 
1 1 1   11   21   13 o   3.8260   0.7361   2.8320   1.1160   4.8200   0.9597 -1.988000 1.472000 
1 1 1   11   21   14 o   3.4840   0.8150   3.6680   1.1610   3.3010   1.1440 0.3671000 1.630000 
1 1 1   11   21   15 f   3.9370   0.7654   4.7160   1.0120   3.1580   1.1480 1.557000 1.531000 
1 1 1   11   21   16 o   3.4430   0.8059   2.8350   1.1570   4.0520   1.1220 -1.217000 1.612000 
1 1 1   11   21   17 o   2.4590   0.7959   2.9630   1.2660   1.9560   0.9646 1.007000 1.592000 
1 1 1   11   21   18 o   6.7680   0.5314   7.1070   0.7046   6.4280   0.7958 0.6792000 1.063000 
1 1 1   11   21   19 o   5.9930   0.6054   6.1900   0.8119   5.7960   0.8981 0.3936000 1.211000 
1 1 1   11   21   20 o   4.4490   0.7902   4.7480   1.0750   4.1500   1.1590 0.5975000 1.580000 
1 1 1   11   21   21 o   2.1130   0.6914   1.9460   0.9254   2.2810   1.0280 -0.3347000 1.383000 
1 1 1   11   21   22 o   2.2100   0.7532   2.3840   1.1190   2.0360   1.0090 0.3484000 1.506000 
1 1 1   11   21   23 o   2.3180   0.7767   2.5710   1.1760   2.0650   1.0160 0.5060000 1.553000 
1 1 1   11   23    0 f   13.360   0.2538   13.570   0.3545   13.140   0.3633 0.4306000 0.5076000 
1 1 1   11   23    1 o   6.8810   0.4281   6.7770   0.6163   6.9850   0.5943 -0.2083000 0.8562000 
1 1 1   11   23    2 o   6.7170   0.4427   6.6180   0.6321   6.8170   0.6199 -0.1987000 0.8854000 
1 1 1   11   23    3 o   2.7440   0.7267   2.4560   1.0020   3.0310   1.0520 -0.5749000 1.453000 
1 1 1   11   23    4 o   16.150   0.2533   16.140   0.3900   16.150   0.3234 -0.8482000E-02 0.5066000 
1 1 1   11   23    5 o   7.2760   0.4538   8.3920   0.6085   6.1600   0.6735 2.232000 0.9077000 
1 1 1   11   23    6 o   3.5400   0.7648   3.3520   1.1520   3.7280   1.0060 -0.3764000 1.530000 
1 1 1   11   23    7 o   14.610   0.2563   14.570   0.3851   14.640   0.3383 -0.6758000E-01 0.5126000 
1 1 1   11   23    8 o   7.1560   0.4411   7.3280   0.6531   6.9850   0.5931 0.3432000 0.8822000 
1 1 1   11   23    9 o   5.1590   0.6221   4.6880   1.0170   5.6300   0.7176 -0.9414000 1.244000 
1 1 1   11   23   10 o   9.1270   0.3558   9.3630   0.5275   8.8910   0.4778 0.4719000 0.7117000 
1 1 1   11   23   11 o   5.8920   0.5628   7.2260   0.6464   4.5580   0.9214 2.668000 1.126000 
1 1 1   11   23   12 o   7.5790   0.4266   7.4700   0.6659   7.6880   0.5334 -0.2177000 0.8532000 
1 1 1   11   23   13 o   8.0300   0.4635   8.6830   0.6558   7.3770   0.6553 1.306000 0.9271000 
1 1 1   11   23   14 o   1.9540   0.6786   1.9720   0.9727   1.9360   0.9463 0.3563000E-01 1.357000 
1 1 1   11   23   15 o   2.3560   0.7666   2.2780   1.0540   2.4340   1.1140 -0.1561000 1.533000 
1 1 1   11   23   16 o   4.2820   0.7907   3.6460   1.1740   4.9190   1.0600 -1.273000 1.581000 
1 1 1   11   23   17 o   5.8260   0.6462   6.1170   0.8305   5.5350   0.9902 0.5822000 1.292000 
1 1 1   11   23   18 o   3.4650   0.8144   4.0520   1.1530   2.8790   1.1510 1.173000 1.629000 
1 1 1   11   23   19 o   2.2330   0.7161   2.4370   1.0630   2.0290   0.9602 0.4081000 1.432000 
1 1 1   11   23   20 o   2.8780   0.9070   2.6940   1.2020   3.0620   1.3590 -0.3682000 1.814000 
1 1 1   11   23   21 o   3.7580   0.9620   3.5310   1.3600   3.9850   1.3610 -0.4540000 1.924000 
1 1 1   11   25    0 o   6.0020   0.4892   6.1500   0.6696   5.8540   0.7135 0.2963000 0.9784000 
1 1 1   11   25    1 o   5.0500   0.5946   4.3560   0.9543   5.7440   0.7095 -1.388000 1.189000 
1 1 1   11   25    2 o   2.7160   0.7314   2.4920   1.0130   2.9410   1.0550 -0.4488000 1.463000 
1 1 1   11   25    3 o   6.2150   0.4732   6.1540   0.6760   6.2760   0.6625 -0.1217000 0.9465000 
1 1 1   11   25    4 o   2.4660   0.7221   2.1510   0.9919   2.7820   1.0500 -0.6315000 1.444000 
1 1 1   11   25    5 o   4.1430   0.7588   4.6820   1.0920   3.6030   1.0540 1.079000 1.518000 
1 1 1   11   25    6 o   3.3070   0.7662   3.9840   1.1360   2.6300   1.0280 1.354000 1.532000 
1 1 1   11   25    7 o   6.9460   0.5325   6.7830   0.8394   7.1080   0.6556 -0.3250000 1.065000 
1 1 1   11   25    8 o   4.5580   0.7637   3.9830   1.2270   5.1320   0.9092 -1.149000 1.527000 
1 1 1   11   25    9 o   2.3580   0.7340   2.7320   1.1430   1.9840   0.9216 0.7478000 1.468000 
1 1 1   11   25   10 o   2.9610   0.8043   3.7730   1.2690   2.1480   0.9882 1.625000 1.609000 
1 1 1   11   25   11 o   6.8240   0.5828   7.2420   0.8224   6.4070   0.8260 0.8350000 1.166000 
1 1 1   11   25   12 o   2.4240   0.7272   2.4710   1.0520   2.3770   1.0050 0.9379000E-01 1.454000 
1 1 1   11   25   13 o   3.4540   0.7705   4.0800   1.1100   2.8270   1.0690 1.253000 1.541000 
1 1 1   11   25   14 f   3.2390   0.7490   4.0840   1.1020   2.3950   1.0150 1.689000 1.498000 
1 1 1   11   25   15 o   4.6610   0.7207   4.0830   1.1480   5.2380   0.8713 -1.155000 1.441000 
1 1 1   11   25   16 o   5.2950   0.6669   5.7780   0.9157   4.8110   0.9698 0.9670000 1.334000 
1 1 1   11   25   17 o   2.6610   0.7989   2.5190   1.0820   2.8030   1.1760 -0.2842000 1.598000 
1 1 1   11   25   18 o   2.2310   0.7526   2.4980   1.1470   1.9640   0.9750 0.5336000 1.505000 
1 1 1   11   25   19 o   1.8510   0.9218   1.8510   0.9218  ?   ?       ?      ? 
1 1 1   11   27    0 o   3.1170   0.6866   2.1640   0.9559   4.0700   0.9858 -1.907000 1.373000 
1 1 1   11   27    1 o   2.8810   0.7468   3.2240   1.0930   2.5390   1.0180 0.6853000 1.494000 
1 1 1   11   27    2 o   2.4380   0.6950   2.9550   1.0710   1.9210   0.8854 1.034000 1.390000 
1 1 1   11   27    3 o   3.1340   0.8193   2.9990   1.1460   3.2690   1.1720 -0.2692000 1.639000 
1 1 1   11   27    4 o   2.1660   0.7092   2.1650   1.0160   2.1670   0.9900 -0.2002000E-02 1.418000 
1 1 1   11   27    5 o   2.5540   0.7441   1.9440   0.9370   3.1640   1.1560 -1.220000 1.488000 
1 1 1   11   27    6 o   2.8790   0.8096   2.5410   1.1150   3.2170   1.1740 -0.6765000 1.619000 
1 1 1   11   27    7 o   6.6730   0.4846   6.7520   0.7220   6.5950   0.6467 0.1577000 0.9692000 
1 1 1   11   27    8 o   3.7680   0.7596   3.4310   1.1410   4.1050   1.0030 -0.6739000 1.519000 
1 1 1   11   27    9 o   3.5370   0.7830   3.9070   1.1330   3.1670   1.0820 0.7400000 1.566000 
1 1 1   11   27   10 f   6.7130   0.5279   5.6550   0.8808   7.7710   0.5821 -2.116000 1.056000 
1 1 1   11   27   11 o   2.0370   0.6639   2.0650   0.9575   2.0100   0.9199 0.5505000E-01 1.328000 
1 1 1   11   27   12 o   2.3660   0.7205   2.0800   0.9668   2.6520   1.0690 -0.5712000 1.441000 
1 1 1   11   27   13 o   4.0200   0.7699   2.9810   1.1570   5.0590   1.0170 -2.078000 1.540000 
1 1 1   11   27   14 o   2.0680   0.7045   1.8860   0.9336   2.2500   1.0550 -0.3635000 1.409000 
1 1 1   11   27   15 o   2.4100   0.7647   2.1550   1.0330   2.6640   1.1280 -0.5090000 1.529000 
1 1 1   11   29    0 o   2.8300   0.7039   2.0050   0.9237   3.6550   1.0630 -1.650000 1.408000 
1 1 1   11   29    1 o   2.1940   0.6782   1.8780   0.8817   2.5090   1.0310 -0.6307000 1.356000 
1 1 1   11   29    2 o   3.7560   0.7719   3.5680   1.1140   3.9440   1.0690 -0.3763000 1.544000 
1 1 1   11   29    3 o   1.9040   0.6244   1.5170   0.7591   2.2900   0.9915 -0.7728000 1.249000 
1 1 1   11   29    4 o   2.9290   0.7403   2.2000   1.0140   3.6580   1.0790 -1.458000 1.481000 
1 1 1   11   29    5 o   2.3350   0.7239   2.7800   1.1470   1.8900   0.8829 0.8898000 1.448000 
1 1 1   11   29    6 o   3.7630   0.7972   3.1050   1.1760   4.4200   1.0760 -1.316000 1.594000 
1 1 1   11   29    7 o   3.8670   0.7896   3.1910   1.1740   4.5430   1.0570 -1.352000 1.579000 
1 1 1   11   29    8 o   3.4250   0.8031   2.8310   1.1300   4.0180   1.1410 -1.186000 1.606000 
1 1 1   11   29    9 o   1.8470   0.6256   1.5430   0.7709   2.1520   0.9854 -0.6084000 1.251000 
1 1 1   11   29   10 o   2.4360   0.7708   2.3720   1.0990   2.4990   1.0810 -0.1269000 1.542000 
1 1 1   11   29   11 o   2.3610   0.7650   2.4260   1.1210   2.2960   1.0410 0.1299000 1.530000 
1 1 1   11   31    0 o   1.6070   0.5657   1.5010   0.7563   1.7130   0.8414 -0.2117000 1.131000 
1 1 1   11   31    1 o   2.3240   0.7494   2.1110   1.0130   2.5380   1.1050 -0.4269000 1.499000 
1 1 1   12    0    0 o   75.000   0.7459   75.000   0.7459   75.000   0.7459 0.000000 0.000000 
1 1 1   12    0    1 o   41.850   0.4225   41.850   0.4225   41.850   0.4225 0.000000 0.000000 
1 1 1   12    0    2 o   4.0190   0.3560   4.0190   0.3560   4.0190   0.3560 0.000000 0.000000 
1 1 1   12    0    3 o   4.9340   0.2828   4.9340   0.2828   4.9340   0.2828 0.000000 0.000000 
1 1 1   12    0    4 o   42.460   0.3558   42.460   0.3558   42.460   0.3558 0.000000 0.000000 
1 1 1   12    0    5 o   41.130   0.3471   41.130   0.3471   41.130   0.3471 0.000000 0.000000 
1 1 1   12    0    6 o   22.490   0.2758   22.490   0.2758   22.490   0.2758 0.000000 0.000000 
1 1 1   12    0    7 o   45.840   0.6744   45.840   0.6744   45.840   0.6744 0.000000 0.000000 
1 1 1   12    0    8 o   64.910   0.4649   64.910   0.4649   64.910   0.4649 0.000000 0.000000 
1 1 1   12    0    9 o   42.200   0.3142   42.200   0.3142   42.200   0.3142 0.000000 0.000000 
1 1 1   12    0   10 o   2.7320   0.8873   2.7320   0.8873   2.7320   0.8873 0.000000 0.000000 
1 1 1   12    0   11 o   7.5780   0.3269   7.5780   0.3269   7.5780   0.3269 0.000000 0.000000 
1 1 1   12    0   12 o   26.580   0.2380   26.580   0.2380   26.580   0.2380 0.000000 0.000000 
1 1 1   12    0   13 o   1.9710   1.0330   1.9710   1.0330   1.9710   1.0330 0.000000 0.000000 
1 1 1   12    0   14 o   2.6820   1.1480   2.6820   1.1480   2.6820   1.1480 0.000000 0.000000 
1 1 1   12    0   15 o   7.5330   0.6678   7.5330   0.6678   7.5330   0.6678 0.000000 0.000000 
1 1 1   12    0   16 o   35.240   0.3486   35.240   0.3486   35.240   0.3486 0.000000 0.000000 
1 1 1   12    0   17 o   34.630   0.3494   34.630   0.3494   34.630   0.3494 0.000000 0.000000 
1 1 1   12    0   18 o   28.390   0.3275   28.390   0.3275   28.390   0.3275 0.000000 0.000000 
1 1 1   12    0   19 o   2.5160   1.3540   2.5160   1.3540   2.5160   1.3540 0.000000 0.000000 
1 1 1   12    0   20 o   7.6100   1.2190   7.6100   1.2190   7.6100   1.2190 0.000000 0.000000 
1 1 1   12    0   21 o   8.4430   0.5783   8.4430   0.5783   8.4430   0.5783 0.000000 0.000000 
1 1 1   12    0   22 o   8.0740   0.6132   8.0740   0.6132   8.0740   0.6132 0.000000 0.000000 
1 1 1   12    0   23 o   2.0030   1.2130   2.0030   1.2130   2.0030   1.2130 0.000000 0.000000 
1 1 1   12    0   24 o   1.6440   1.0830   1.6440   1.0830   1.6440   1.0830 0.000000 0.000000 
1 1 1   12    0   25 o   2.3450   1.3060   2.3450   1.3060   2.3450   1.3060 0.000000 0.000000 
1 1 1   12    0   26 o   10.240   0.5125   10.240   0.5125   10.240   0.5125 0.000000 0.000000 
1 1 1   12    0   27 o   7.6400   0.7826   7.6400   0.7826   7.6400   0.7826 0.000000 0.000000 
1 1 1   12    0   28 o   5.3470   0.9514   5.3470   0.9514   5.3470   0.9514 0.000000 0.000000 
1 1 1   12    0   29 f   4.0050   1.3620   4.0050   1.3620   4.0050   1.3620 0.000000 0.000000 
1 1 1   12    0   30 o   1.5480   1.0440   1.5480   1.0440   1.5480   1.0440 0.000000 0.000000 
1 1 1   12    0   31 o   1.5990   1.1470   1.5990   1.1470   1.5990   1.1470 0.000000 0.000000 
1 1 1   12    0   32 o   2.1030   1.2800   2.1030   1.2800   2.1030   1.2800 0.000000 0.000000 
1 1 1   12    2    0 o   49.080   0.2844   48.620   0.3989   49.540   0.4054 -0.9229000 0.5687000 
1 1 1   12    2    1 o   22.610   0.2023  ?   ?    22.610   0.2023      ?      ? 
1 1 1   12    2    2 o   19.070   0.1632   18.880   0.2310   19.270   0.2307 -0.3905000 0.3265000 
1 1 1   12    2    3 o   15.440   0.1406   15.590   0.1767   15.280   0.2187 0.3053000 0.2811000 
1 1 1   12    2    4 o   16.960   0.1515   17.160   0.2369   16.750   0.1889 0.4070000 0.3030000 
1 1 1   12    2    5 o   28.710   0.1828   28.360   0.2561   29.060   0.2609 -0.7010000 0.3656000 
1 1 1   12    2    6 o   45.860   0.2732   46.340   0.3899   45.380   0.3827 0.9599000 0.5464000 
1 1 1   12    2    7 o   15.730   0.2231   15.570   0.2633   15.880   0.3601 -0.3088000 0.4461000 
1 1 1   12    2    8 o   60.680   0.3566   60.520   0.5028   60.840   0.5058 -0.3231000 0.7132000 
1 1 1   12    2    9 o   24.290   0.1756   24.350   0.2489   24.220   0.2478 0.1291000 0.3512000 
1 1 1   12    2   10 o   17.780   0.1562   18.010   0.2043   17.540   0.2364 0.4701000 0.3124000 
1 1 1   12    2   11 o   16.360   0.1654   16.140   0.2159   16.590   0.2507 -0.4440000 0.3309000 
1 1 1   12    2   12 o   16.100   0.1737   16.170   0.2274   16.040   0.2626 0.1241000 0.3474000 
1 1 1   12    2   13 o   13.650   0.1934   13.720   0.2514   13.580   0.2941 0.1346000 0.3869000 
1 1 1   12    2   14 o   25.730   0.1919   25.610   0.2511   25.850   0.2903 -0.2380000 0.3838000 
1 1 1   12    2   15 o   36.610   0.3001   36.660   0.4243   36.560   0.4247 0.9832000E-01 0.6003000 
1 1 1   12    2   16 o   9.4640   0.3116   9.4100   0.4097   9.5180   0.4696 -0.1078000 0.6232000 
1 1 1   12    2   17 o   27.700   0.2133   27.440   0.2779   27.960   0.3236 -0.5225000 0.4265000 
1 1 1   12    2   18 o   12.330   0.2804   12.220   0.3647   12.430   0.4261 -0.2113000 0.5609000 
1 1 1   12    2   19 o   5.0980   0.6332   4.8090   0.8718   5.3860   0.9186 -0.5771000 1.266000 
1 1 1   12    2   20 o   6.0270   0.8580   6.0900   1.0050   5.9640   1.3910 0.1253000 1.716000 
1 1 1   12    2   21 o   10.560   0.3087   10.540   0.4000   10.580   0.4703 -0.4600000E-01 0.6174000 
1 1 1   12    2   22 o   15.940   0.2382   16.160   0.3104   15.720   0.3613 0.4435000 0.4763000 
1 1 1   12    2   23 o   4.0960   0.7262   4.1420   0.9728   4.0500   1.0790 0.9194000E-01 1.452000 
1 1 1   12    2   24 o   2.9940   0.7523   3.3070   1.0510   2.6800   1.0770 0.6270000 1.505000 
1 1 1   12    2   25 o   3.3470   0.6186   4.7750   0.8492   1.9190   0.8998 2.856000 1.237000 
1 1 1   12    2   26 o   3.7390   0.7293   4.3290   0.9261   3.1490   1.1270 1.179000 1.459000 
1 1 1   12    2   27 o   3.9270   0.8795   4.0530   1.2350   3.8000   1.2520 0.2536000 1.759000 
1 1 1   12    2   28 o   3.5840   0.7055   4.7070   0.9352   2.4610   1.0570 2.246000 1.411000 
1 1 1   12    2   29 o   3.0160   0.7909   2.7050   1.0570   3.3270   1.1770 -0.6221000 1.582000 
1 1 1   12    2   30 o   3.0720   0.7931   3.6600   1.1700   2.4840   1.0710 1.176000 1.586000 
1 1 1   12    2   31 o   2.7580   0.9139   2.8860   1.3390   2.6290   1.2440 0.2570000 1.828000 
1 1 1   12    2   32 o   1.9210   0.6497   1.8070   0.8775   2.0360   0.9582 -0.2284000 1.299000 
1 1 1   12    4    0 o   40.360   0.2678   40.310   0.4141   40.420   0.3398 -0.1131000 0.5357000 
1 1 1   12    4    1 o   67.100   0.4759   66.950   0.6716   67.250   0.6745 -0.2998000 0.9519000 
1 1 1   12    4    2 o   43.460   0.2571   43.460   0.3637   43.460   0.3634 -0.2399000E-02 0.5142000 
1 1 1   12    4    3 o   56.520   0.3299   56.610   0.4672   56.430   0.4659 0.1734000 0.6598000 
1 1 1   12    4    4 o   16.550   0.1418   16.490   0.2005   16.620   0.2004 -0.1300000 0.2835000 
1 1 1   12    4    5 o   56.610   0.3714   56.430   0.4687   56.800   0.5762 -0.3696000 0.7428000 
1 1 1   12    4    6 o   4.3890   0.4843   3.9080   0.6995   4.8710   0.6700 -0.9631000 0.9686000 
1 1 1   12    4    7 o   16.740   0.1931   16.470   0.2729   17.000   0.2734 -0.5321000 0.3863000 
1 1 1   12    4    8 o   26.150   0.1824   25.960   0.2564   26.330   0.2594 -0.3653000 0.3647000 
1 1 1   12    4    9 o   31.150   0.2060   31.280   0.2922   31.020   0.2906 0.2631000 0.4121000 
1 1 1   12    4   10 o   37.110   0.2361   36.870   0.3323   37.360   0.3354 -0.4870000 0.4721000 
1 1 1   12    4   11 o   28.680   0.2020   28.740   0.2857   28.630   0.2857 0.1118000 0.4041000 
1 1 1   12    4   12 o   17.990   0.1869   18.150   0.2658   17.830   0.2629 0.3285000 0.3738000 
1 1 1   12    4   13 o   22.120   0.2177   22.320   0.2780   21.930   0.3350 0.3868000 0.4353000 
1 1 1   12    4   14 o   7.2900   0.3806   7.1770   0.5433   7.4040   0.5332 -0.2267000 0.7612000 
1 1 1   12    4   15 o   21.790   0.3147   21.690   0.5064   21.900   0.3738 -0.2168000 0.6294000 
1 1 1   12    4   16 o   13.000   0.2509   12.740   0.3311   13.250   0.3770 -0.5131000 0.5018000 
1 1 1   12    4   17 o   8.5280   0.3704   8.5780   0.4768   8.4780   0.5670 0.1001000 0.7408000 
1 1 1   12    4   18 o   26.170   0.2146   26.190   0.2799   26.150   0.3252 0.4887000E-01 0.4291000 
1 1 1   12    4   19 o   5.5160   0.7167   5.8120   0.8345   5.2190   1.1660 0.5930000 1.433000 
1 1 1   12    4   20 o   17.470   0.3128   17.670   0.4377   17.260   0.4471 0.4123000 0.6257000 
1 1 1   12    4   21 o   8.5450   0.3759   8.9280   0.4598   8.1620   0.5948 0.7666000 0.7518000 
1 1 1   12    4   22 o   7.7060   0.3956   7.3560   0.5352   8.0560   0.5828 -0.7004000 0.7913000 
1 1 1   12    4   23 o   14.200   0.2510   14.280   0.3276   14.120   0.3805 0.1619000 0.5021000 
1 1 1   12    4   24 o   4.6200   0.6558   4.1790   0.9415   5.0620   0.9131 -0.8834000 1.312000 
1 1 1   12    4   25 o   8.4600   0.3756   9.1390   0.4533   7.7810   0.5990 1.357000 0.7512000 
1 1 1   12    4   26 o   5.7680   0.5407   5.8330   0.7022   5.7030   0.8224 0.1300000 1.081000 
1 1 1   12    4   27 o   5.5310   0.7415   4.6880   1.1790   6.3730   0.8993 -1.685000 1.483000 
1 1 1   12    4   28 o   2.7700   0.7614   2.9700   1.0850   2.5710   1.0680 0.3988000 1.523000 
1 1 1   12    4   29 o   2.2260   0.7021   2.2560   0.9833   2.1950   1.0030 0.6074000E-01 1.404000 
1 1 1   12    4   30 o   1.9590   0.6507   2.0030   0.9264   1.9150   0.9141 0.8815000E-01 1.301000 
1 1 1   12    4   31 o   2.5910   0.8534   2.1710   1.0440   3.0120   1.3500 -0.8409000 1.707000 
1 1 1   12    4   32 o   1.9110   0.6429   1.9820   0.9261   1.8390   0.8920 0.1434000 1.286000 
1 1 1   12    6    0 o   45.670   0.2353   45.590   0.3323   45.740   0.3332 -0.1516000 0.4706000 
1 1 1   12    6    1 o   16.770   0.1353   16.630   0.2013   16.910   0.1809 -0.2838000 0.2706000 
1 1 1   12    6    2 o   28.410   0.1843   28.440   0.2609   28.370   0.2603 0.6868000E-01 0.3686000 
1 1 1   12    6    3 o   37.040   0.2527   37.120   0.3224   36.950   0.3893 0.1653000 0.5055000 
1 1 1   12    6    4 o   21.020   0.1757   21.250   0.2270   20.800   0.2682 0.4455000 0.3514000 
1 1 1   12    6    5 o   18.510   0.1996   18.390   0.2786   18.630   0.2859 -0.2402000 0.3992000 
1 1 1   12    6    6 o   7.8340   0.2293   7.7150   0.3258   7.9530   0.3227 -0.2380000 0.4586000 
1 1 1   12    6    7 o   12.500   0.1778   12.420   0.2503   12.580   0.2525 -0.1615000 0.3555000 
1 1 1   12    6    8 o   29.350   0.2013   29.160   0.2842   29.540   0.2851 -0.3788000 0.4026000 
1 1 1   12    6    9 o   33.960   0.2225   33.810   0.3140   34.110   0.3155 -0.2931000 0.4451000 
1 1 1   12    6   10 o   27.530   0.1989   27.390   0.2813   27.680   0.2812 -0.2823000 0.3977000 
1 1 1   12    6   11 o   27.810   0.2027   27.610   0.2864   28.010   0.2870 -0.4025000 0.4055000 
1 1 1   12    6   12 o   14.930   0.2072   14.870   0.2934   14.980   0.2926 -0.1065000 0.4144000 
1 1 1   12    6   13 o   50.510   0.3110   50.660   0.4413   50.350   0.4383 0.3057000 0.6219000 
1 1 1   12    6   14 o   45.060   0.4291   45.280   0.7009   44.840   0.4952 0.4441000 0.8582000 
1 1 1   12    6   15 o   24.340   0.2185   24.520   0.3122   24.150   0.3057 0.3776000 0.4369000 
1 1 1   12    6   16 o   14.710   0.2588   15.020   0.3605   14.410   0.3715 0.6027000 0.5176000 
1 1 1   12    6   17 o   4.0790   0.7614   3.4430   1.1460   4.7140   1.0030 -1.271000 1.523000 
1 1 1   12    6   18 f   12.010   0.3071   12.260   0.4244   11.760   0.4440 0.4999000 0.6142000 
1 1 1   12    6   19 o   13.550   0.4100   13.340   0.5093   13.750   0.6426 -0.4041000 0.8200000 
1 1 1   12    6   20 o   7.3720   0.4305   7.9180   0.5274   6.8260   0.6805 1.092000 0.8610000 
1 1 1   12    6   21 f   8.7680   0.3658   9.1230   0.4604   8.4140   0.5685 0.7086000 0.7316000 
1 1 1   12    6   22 o   4.2130   0.7090   3.5990   1.0280   4.8270   0.9763 -1.228000 1.418000 
1 1 1   12    6   23 o   9.9610   0.3324   10.280   0.4204   9.6430   0.5149 0.6361000 0.6648000 
1 1 1   12    6   24 o   3.8550   0.7226   4.3350   0.9126   3.3750   1.1210 0.9602000 1.445000 
1 1 1   12    6   25 o   8.7680   0.3592   8.3820   0.4967   9.1540   0.5191 -0.7713000 0.7185000 
1 1 1   12    6   26 o   7.8060   0.4120   8.4060   0.4985   7.2060   0.6561 1.199000 0.8240000 
1 1 1   12    6   27 o   3.9180   0.8898   3.7770   1.2630   4.0580   1.2530 -0.2810000 1.780000 
1 1 1   12    6   28 o   2.4800   0.7361   2.2510   0.9780   2.7090   1.1000 -0.4581000 1.472000 
1 1 1   12    6   29 o   2.3990   0.7242   2.6130   1.0480   2.1860   0.9997 0.4265000 1.448000 
1 1 1   12    6   30 o   2.2400   0.7071   1.8980   0.8916   2.5820   1.0980 -0.6841000 1.414000 
1 1 1   12    6   31 o   2.0570   0.7132   1.9980   0.9748   2.1160   1.0410 -0.1174000 1.426000 
1 1 1   12    8    0 o   15.710   0.1707   16.090   0.2207   15.330   0.2606 0.7571000 0.3415000 
1 1 1   12    8    1 o   15.300   0.1497   15.430   0.2243   15.170   0.1982 0.2525000 0.2994000 
1 1 1   12    8    2 o   25.510   0.2031   25.460   0.3132   25.560   0.2586 -0.9411000E-01 0.4062000 
1 1 1   12    8    3 o   34.540   0.2711   34.200   0.3796   34.880   0.3872 -0.6758000 0.5423000 
1 1 1   12    8    4 o   21.220   0.1706   21.560   0.2419   20.890   0.2405 0.6702000 0.3411000 
1 1 1   12    8    5 f   16.030   0.1699   15.910   0.2390   16.140   0.2415 -0.2297000 0.3398000 
1 1 1   12    8    6 o   39.240   0.2466   39.180   0.3477   39.300   0.3497 -0.1245000 0.4931000 
1 1 1   12    8    7 o   11.630   0.2053   11.550   0.2877   11.710   0.2929 -0.1629000 0.4106000 
1 1 1   12    8    8 o   34.750   0.2282   34.950   0.3240   34.540   0.3216 0.4064000 0.4565000 
1 1 1   12    8    9 o   33.860   0.2262   33.810   0.3198   33.920   0.3201 -0.1160000 0.4525000 
1 1 1   12    8   10 o   38.940   0.2515   39.030   0.3571   38.860   0.3541 0.1706000 0.5029000 
1 1 1   12    8   11 o   44.470   0.3106   44.210   0.4779   44.730   0.3968 -0.5220000 0.6212000 
1 1 1   12    8   12 o   54.110   0.3311   53.530   0.4650   54.690   0.4715 -1.163000 0.6622000 
1 1 1   12    8   13 o   21.470   0.3117   21.410   0.4958   21.530   0.3778 -0.1122000 0.6233000 
1 1 1   12    8   14 o   18.410   0.2259   18.410   0.3210   18.420   0.3179 -0.1069000E-01 0.4518000 
1 1 1   12    8   15 o   11.460   0.3071   11.450   0.4408   11.470   0.4277 -0.1400000E-01 0.6142000 
1 1 1   12    8   16 o   19.070   0.2359   18.930   0.3362   19.200   0.3310 -0.2775000 0.4718000 
1 1 1   12    8   17 f   16.370   0.2518   16.340   0.3588   16.400   0.3532 -0.5922000E-01 0.5035000 
1 1 1   12    8   18 o   7.1330   0.6993   7.4780   0.8199   6.7880   1.1330 0.6906000 1.399000 
1 1 1   12    8   19 o   17.840   0.2420   17.670   0.3423   18.010   0.3422 -0.3347000 0.4840000 
1 1 1   12    8   20 o   11.820   0.3078   11.400   0.4457   12.250   0.4246 -0.8562000 0.6156000 
1 1 1   12    8   21 o   16.910   0.2494   16.900   0.3511   16.920   0.3542 -0.2201000E-01 0.4988000 
1 1 1   12    8   22 o   6.1670   0.5814   4.7640   0.9816   7.5700   0.6232 -2.806000 1.163000 
1 1 1   12    8   23 o   7.3230   0.4500   7.4410   0.6210   7.2040   0.6513 0.2361000 0.8999000 
1 1 1   12    8   24 o   11.940   0.2883   11.470   0.3967   12.400   0.4185 -0.9268000 0.5766000 
1 1 1   12    8   25 o   5.4450   0.5930   5.6790   0.7279   5.2110   0.9362 0.4685000 1.186000 
1 1 1   12    8   26 o   3.5000   0.8894   3.3650   1.2460   3.6350   1.2690 -0.2702000 1.779000 
1 1 1   12    8   27 o   2.2630   0.6941   1.8190   0.8562   2.7070   1.0930 -0.8879000 1.388000 
1 1 1   12    8   28 o   2.7400   0.7678   2.3130   0.9910   3.1660   1.1730 -0.8531000 1.536000 
1 1 1   12    8   29 o   2.2630   0.7113   2.0800   0.9464   2.4450   1.0620 -0.3655000 1.423000 
1 1 1   12    8   30 o   3.0530   0.9196   2.8580   1.2300   3.2480   1.3670 -0.3899000 1.839000 
1 1 1   12    8   31 o   2.7820   0.7817   2.6620   1.0760   2.9020   1.1340 -0.2403000 1.563000 
1 1 1   12   10    0 o   25.190   0.1617   25.350   0.2284   25.040   0.2290 0.3175000 0.3235000 
1 1 1   12   10    1 o   18.880   0.1522   18.710   0.2145   19.060   0.2160 -0.3556000 0.3044000 
1 1 1   12   10    2 o   9.0930   0.2204   9.1450   0.3307   9.0400   0.2914 0.1056000 0.4408000 
1 1 1   12   10    3 o   39.070   0.2314   39.040   0.3490   39.100   0.3041 -0.6688000E-01 0.4629000 
1 1 1   12   10    4 o   30.730   0.2104   30.730   0.2961   30.730   0.2990 -0.7553000E-02 0.4208000 
1 1 1   12   10    5 o   3.8640   0.5554   3.5710   0.8186   4.1570   0.7510 -0.5856000 1.111000 
1 1 1   12   10    6 o   12.780   0.2058   12.840   0.2918   12.730   0.2902 0.1059000 0.4115000 
1 1 1   12   10    7 o   31.840   0.2192   31.870   0.3108   31.810   0.3093 0.5795000E-01 0.4385000 
1 1 1   12   10    8 o   16.830   0.2168   16.960   0.3274   16.700   0.2842 0.2610000 0.4335000 
1 1 1   12   10    9 o   53.040   0.3236   53.420   0.4604   52.660   0.4549 0.7592000 0.6472000 
1 1 1   12   10   10 o   32.390   0.2293   32.350   0.3247   32.430   0.3240 -0.7777000E-01 0.4587000 
1 1 1   12   10   11 o   21.780   0.2463   22.130   0.3491   21.420   0.3475 0.7089000 0.4926000 
1 1 1   12   10   12 o   28.860   0.2819   29.150   0.4045   28.580   0.3927 0.5753000 0.5638000 
1 1 1   12   10   13 o   15.390   0.2441   15.420   0.3427   15.370   0.3478 0.4830000E-01 0.4883000 
1 1 1   12   10   14 o   27.160   0.2309   26.610   0.3281   27.720   0.3249 -1.114000 0.4618000 
1 1 1   12   10   15 o   9.4370   0.3720   9.0630   0.5545   9.8100   0.4961 -0.7463000 0.7441000 
1 1 1   12   10   16 o   12.080   0.3047   11.740   0.4439   12.420   0.4175 -0.6855000 0.6094000 
1 1 1   12   10   17 o   18.060   0.3588   18.060   0.4534   18.050   0.5563 0.1163000E-01 0.7176000 
1 1 1   12   10   18 o   12.690   0.2921   12.300   0.4249   13.080   0.4011 -0.7746000 0.5843000 
1 1 1   12   10   19 o   6.5390   0.5109   6.3470   0.7532   6.7310   0.6905 -0.3839000 1.022000 
1 1 1   12   10   20 o   8.0360   0.4254   8.9400   0.5419   7.1310   0.6559 1.809000 0.8508000 
1 1 1   12   10   21 o   9.4880   0.3590   9.2200   0.5260   9.7560   0.4888 -0.5356000 0.7180000 
1 1 1   12   10   22 o   3.0930   0.7865   3.2510   1.1290   2.9350   1.0960 0.3153000 1.573000 
1 1 1   12   10   23 o   4.0650   0.7311   5.0340   0.9542   3.0960   1.1080 1.938000 1.462000 
1 1 1   12   10   24 o   3.6530   0.7592   2.9050   1.1120   4.4010   1.0340 -1.496000 1.518000 
1 1 1   12   10   25 o   6.9160   0.7365   7.6970   1.0710   6.1350   1.0110 1.561000 1.473000 
1 1 1   12   10   26 o   5.0520   0.6970   4.9210   1.0340   5.1830   0.9346 -0.2620000 1.394000 
1 1 1   12   10   27 o   3.5380   0.7868   3.0520   1.0890   4.0240   1.1360 -0.9721000 1.574000 
1 1 1   12   10   28 o   5.1130   0.6628   4.7950   0.9348   5.4310   0.9400 -0.6361000 1.326000 
1 1 1   12   10   29 o   3.3310   0.8759   3.8610   1.2540   2.8010   1.2230 1.061000 1.752000 
1 1 1   12   10   30 o   2.4320   0.7473   2.1680   0.9829   2.6970   1.1260 -0.5289000 1.495000 
1 1 1   12   12    0 o   25.660   0.1721   25.550   0.2418   25.770   0.2448 -0.2203000 0.3441000 
1 1 1   12   12    1 o   24.220   0.1992   24.110   0.2786   24.340   0.2847 -0.2297000 0.3984000 
1 1 1   12   12    2 o   4.5490   0.4880   4.4250   0.7478   4.6730   0.6271 -0.2483000 0.9759000 
1 1 1   12   12    3 o   56.510   0.3188   56.710   0.4830   56.320   0.4163 0.3907000 0.6377000 
1 1 1   12   12    4 o   33.940   0.2158   34.280   0.3280   33.600   0.2805 0.6833000 0.4316000 
1 1 1   12   12    5 o   19.870   0.1847   20.400   0.2790   19.340   0.2420 1.057000 0.3694000 
1 1 1   12   12    6 o   18.370   0.2022   18.310   0.2874   18.430   0.2846 -0.1288000 0.4044000 
1 1 1   12   12    7 o   9.3700   0.2924   9.3320   0.4287   9.4080   0.3978 -0.7610000E-01 0.5848000 
1 1 1   12   12    8 o   23.520   0.2276   23.140   0.3476   23.890   0.2938 -0.7505000 0.4551000 
1 1 1   12   12    9 o   30.480   0.2491   30.610   0.3815   30.350   0.3204 0.2623000 0.4982000 
1 1 1   12   12   10 o   20.820   0.2805   20.780   0.3959   20.860   0.3973 -0.8910000E-01 0.5609000 
1 1 1   12   12   11 o   23.860   0.2239   24.030   0.3170   23.690   0.3162 0.3344000 0.4477000 
1 1 1   12   12   12 o   14.030   0.2705   14.660   0.3720   13.400   0.3928 1.256000 0.5410000 
1 1 1   12   12   13 o   16.030   0.2563   15.890   0.3624   16.180   0.3626 -0.2902000 0.5126000 
1 1 1   12   12   14 o   14.440   0.2667   13.990   0.3832   14.890   0.3711 -0.9035000 0.5334000 
1 1 1   12   12   15 o   21.770   0.2524   21.700   0.3261   21.840   0.3853 -0.1398000 0.5048000 
1 1 1   12   12   16 o   8.3220   0.5972   7.8160   0.8012   8.8280   0.8859 -1.012000 1.194000 
1 1 1   12   12   17 o   19.610   0.2366   19.040   0.3381   20.180   0.3310 -1.141000 0.4731000 
1 1 1   12   12   18 o   13.170   0.2883   13.400   0.4157   12.950   0.3995 0.4442000 0.5765000 
1 1 1   12   12   19 o   11.100   0.3223   11.310   0.4578   10.890   0.4538 0.4267000 0.6446000 
1 1 1   12   12   20 o   4.6180   0.7111   4.5970   1.0340   4.6400   0.9759 -0.4370000E-01 1.422000 
1 1 1   12   12   21 o   4.0020   0.7522   3.5450   1.1260   4.4580   0.9981 -0.9137000 1.504000 
1 1 1   12   12   22 o   6.3990   0.5226   6.7390   0.7184   6.0580   0.7593 0.6806000 1.045000 
1 1 1   12   12   23 o   6.2200   0.5232   6.4190   0.7259   6.0210   0.7535 0.3983000 1.046000 
1 1 1   12   12   24 o   4.7710   0.9040   5.4940   1.2910   4.0480   1.2660 1.446000 1.808000 
1 1 1   12   12   25 o   3.1020   0.7624   2.3670   1.0400   3.8360   1.1150 -1.469000 1.525000 
1 1 1   12   12   26 o   2.7750   0.7784   3.0790   1.1440   2.4710   1.0560 0.6079000 1.557000 
1 1 1   12   12   27 o   3.0870   0.7974   2.5370   1.0840   3.6370   1.1700 -1.100000 1.595000 
1 1 1   12   12   28 o   3.6290   0.7783   4.6240   1.1010   2.6340   1.1010 1.989000 1.557000 
1 1 1   12   12   29 o   2.4150   0.8015   2.5230   1.1550   2.3080   1.1110 0.2149000 1.603000 
1 1 1   12   14    0 o   55.850   0.2944   55.520   0.4141   56.190   0.4184 -0.6755000 0.5887000 
1 1 1   12   14    1 o   40.880   0.2302   40.960   0.3256   40.800   0.3254 0.1609000 0.4603000 
1 1 1   12   14    2 o   31.950   0.2409   31.490   0.2799   32.400   0.3922 -0.9067000 0.4818000 
1 1 1   12   14    3 f   42.970   0.2584   42.800   0.3894   43.150   0.3397 -0.3457000 0.5168000 
1 1 1   12   14    4 o   30.590   0.2487   30.700   0.3840   30.480   0.3162 0.2257000 0.4974000 
1 1 1   12   14    5 o   19.440   0.2308   19.370   0.3518   19.520   0.2987 -0.1431000 0.4615000 
1 1 1   12   14    6 o   14.300   0.2545   14.040   0.3884   14.550   0.3289 -0.5105000 0.5089000 
1 1 1   12   14    7 o   10.230   0.4255   11.300   0.5285   9.1490   0.6670 2.153000 0.8510000 
1 1 1   12   14    8 o   24.840   0.2838   25.100   0.4010   24.580   0.4019 0.5184000 0.5677000 
1 1 1   12   14    9 o   17.420   0.2426   17.490   0.3445   17.350   0.3416 0.1358000 0.4852000 
1 1 1   12   14   10 o   33.550   0.2480   33.730   0.3539   33.370   0.3475 0.3648000 0.4960000 
1 1 1   12   14   11 o   13.520   0.2864   13.750   0.3999   13.300   0.4102 0.4559000 0.5729000 
1 1 1   12   14   12 o   27.540   0.2353   27.580   0.3326   27.490   0.3329 0.9135000E-01 0.4705000 
1 1 1   12   14   13 f   14.160   0.2914   13.910   0.3935   14.410   0.4298 -0.4967000 0.5827000 
1 1 1   12   14   14 o   3.7500   0.8157   5.0990   1.1800   2.4000   1.1260 2.699000 1.631000 
1 1 1   12   14   15 o   12.590   0.3458   12.380   0.5440   12.800   0.4270 -0.4172000 0.6916000 
1 1 1   12   14   16 f   15.190   0.2673   15.530   0.3820   14.850   0.3738 0.6808000 0.5345000 
1 1 1   12   14   17 o   10.550   0.3346   10.970   0.4701   10.130   0.4762 0.8383000 0.6692000 
1 1 1   12   14   18 o   12.680   0.2896   11.850   0.4299   13.520   0.3880 -1.662000 0.5791000 
1 1 1   12   14   19 o   9.6370   0.3532   9.7810   0.4952   9.4930   0.5038 0.2881000 0.7064000 
1 1 1   12   14   20 o   7.9430   0.4040   8.0220   0.5720   7.8630   0.5706 0.1586000 0.8080000 
1 1 1   12   14   21 o   3.1960   0.7869   3.1670   1.1130   3.2250   1.1130 -0.5811000E-01 1.574000 
1 1 1   12   14   22 o   6.9030   0.4775   6.4780   0.7216   7.3280   0.6257 -0.8496000 0.9551000 
1 1 1   12   14   23 o   6.3770   0.7570   6.3830   1.1570   6.3700   0.9762 0.1255000E-01 1.514000 
1 1 1   12   14   24 o   4.9540   0.7074   5.5790   0.9241   4.3280   1.0710 1.250000 1.415000 
1 1 1   12   14   25 o   3.1170   0.8154   3.0610   1.1480   3.1740   1.1580 -0.1136000 1.631000 
1 1 1   12   14   26 o   3.0400   0.8006   2.6370   1.1020   3.4440   1.1620 -0.8069000 1.601000 
1 1 1   12   14   27 o   2.1530   0.6989   2.3940   1.0590   1.9130   0.9126 0.4810000 1.398000 
1 1 1   12   14   28 o   3.2280   0.8996   4.1630   1.4170   2.2930   1.1090 1.869000 1.799000 
1 1 1   12   16    0 o   33.470   0.2087   33.450   0.2950   33.500   0.2952 -0.4990000E-01 0.4173000 
1 1 1   12   16    1 o   8.7390   0.3181   8.7250   0.4519   8.7530   0.4479 -0.2735000E-01 0.6363000 
1 1 1   12   16    2 o   19.850   0.2270   20.110   0.3198   19.580   0.3223 0.5352000 0.4540000 
1 1 1   12   16    3 o   8.6450   0.4298   8.5640   0.6709   8.7260   0.5375 -0.1617000 0.8596000 
1 1 1   12   16    4 o   16.100   0.2796   16.320   0.4252   15.880   0.3632 0.4432000 0.5592000 
1 1 1   12   16    5 o   25.130   0.2153   24.890   0.3248   25.360   0.2829 -0.4666000 0.4307000 
1 1 1   12   16    6 o   31.360   0.2271   31.750   0.3441   30.980   0.2965 0.7695000 0.4542000 
1 1 1   12   16    7 o   25.210   0.2170   25.180   0.3259   25.240   0.2866 -0.6302000E-01 0.4340000 
1 1 1   12   16    8 o   17.200   0.2514   17.990   0.3918   16.410   0.3150 1.584000 0.5027000 
1 1 1   12   16    9 o   20.460   0.2419   20.700   0.3413   20.220   0.3429 0.4806000 0.4837000 
1 1 1   12   16   10 o   23.610   0.2587   23.870   0.3343   23.350   0.3950 0.5279000 0.5175000 
1 1 1   12   16   11 o   14.810   0.2930   14.800   0.3849   14.820   0.4418 -0.2280000E-01 0.5859000 
1 1 1   12   16   12 o   7.9890   0.5847   9.2720   0.7185   6.7060   0.9225 2.566000 1.169000 
1 1 1   12   16   13 o   10.530   0.3467   10.450   0.4898   10.610   0.4907 -0.1651000 0.6933000 
1 1 1   12   16   14 o   12.810   0.2947   12.750   0.4226   12.880   0.4109 -0.1305000 0.5894000 
1 1 1   12   16   15 o   13.500   0.2883   13.580   0.4112   13.420   0.4042 0.1570000 0.5766000 
1 1 1   12   16   16 o   3.9510   0.7634   4.5990   1.0280   3.3020   1.1290 1.297000 1.527000 
1 1 1   12   16   17 o   11.900   0.3095   11.980   0.4412   11.810   0.4342 0.1695000 0.6190000 
1 1 1   12   16   18 o   5.8850   0.5656   5.5050   0.8651   6.2650   0.7287 -0.7604000 1.131000 
1 1 1   12   16   19 o   6.3660   0.5197   6.0970   0.7721   6.6350   0.6959 -0.5376000 1.039000 
1 1 1   12   16   20 o   4.4070   0.7199   4.2170   1.0590   4.5960   0.9756 -0.3790000 1.440000 
1 1 1   12   16   21 o   4.1800   0.7892   4.3010   1.1620   4.0600   1.0680 0.2412000 1.578000 
1 1 1   12   16   22 o   3.6950   0.9598   3.7550   1.4170   3.6350   1.2950 0.1198000 1.920000 
1 1 1   12   16   23 o   4.4460   0.7640   4.8830   1.0330   4.0090   1.1260 0.8737000 1.528000 
1 1 1   12   16   24 o   2.0290   0.6690   1.9930   0.9357   2.0650   0.9566 -0.7148000E-01 1.338000 
1 1 1   12   16   25 o   2.9630   0.7746   2.2920   1.0330   3.6340   1.1540 -1.342000 1.549000 
1 1 1   12   16   26 o   2.5170   0.8154   2.7560   1.2110   2.2780   1.0920 0.4785000 1.631000 
1 1 1   12   16   27 o   2.6170   0.7933   2.2440   1.0180   2.9890   1.2170 -0.7446000 1.587000 
1 1 1   12   18    0 o   9.1320   0.3333   9.4410   0.4593   8.8230   0.4830 0.6178000 0.6665000 
1 1 1   12   18    1 o   3.9340   0.7117   3.4900   1.0590   4.3780   0.9509 -0.8872000 1.423000 
1 1 1   12   18    2 o   17.070   0.2181   17.200   0.3066   16.940   0.3102 0.2547000 0.4362000 
1 1 1   12   18    3 o   7.5920   0.4286   7.7640   0.6445   7.4190   0.5650 0.3444000 0.8571000 
1 1 1   12   18    4 o   20.740   0.2257   20.990   0.3435   20.490   0.2929 0.5062000 0.4515000 
1 1 1   12   18    5 o   17.680   0.2328   17.910   0.3477   17.460   0.3097 0.4452000 0.4656000 
1 1 1   12   18    6 o   8.0110   0.4263   8.5420   0.5761   7.4800   0.6285 1.062000 0.8525000 
1 1 1   12   18    7 o   13.200   0.2826   13.200   0.4104   13.200   0.3885 0.6179000E-02 0.5651000 
1 1 1   12   18    8 o   4.3010   0.7425   3.6160   1.1530   4.9870   0.9359 -1.370000 1.485000 
1 1 1   12   18    9 o   3.3980   0.8660   3.2420   1.2970   3.5530   1.1480 -0.3106000 1.732000 
1 1 1   12   18   10 o   13.640   0.3608   13.770   0.5297   13.510   0.4901 0.2546000 0.7217000 
1 1 1   12   18   11 o   13.850   0.2855   13.900   0.4026   13.800   0.4050 0.9547000E-01 0.5710000 
1 1 1   12   18   12 o   14.810   0.2982   14.830   0.4490   14.780   0.3924 0.4539000E-01 0.5963000 
1 1 1   12   18   13 o   13.770   0.2914   14.000   0.4092   13.540   0.4151 0.4579000 0.5829000 
1 1 1   12   18   14 o   4.8280   0.6948   5.7750   0.8219   3.8800   1.1200 1.895000 1.390000 
1 1 1   12   18   15 o   7.7810   0.4320   7.9750   0.6150   7.5880   0.6067 0.3871000 0.8639000 
1 1 1   12   18   16 o   2.9770   0.7843   2.6860   1.0810   3.2690   1.1370 -0.5831000 1.569000 
1 1 1   12   18   17 o   13.500   0.2939   13.460   0.4198   13.540   0.4113 -0.7832000E-01 0.5877000 
1 1 1   12   18   18 o   3.2370   0.7273   2.2170   0.9846   4.2570   1.0710 -2.039000 1.455000 
1 1 1   12   18   19 o   3.1620   0.7851   2.9460   1.1110   3.3770   1.1100 -0.4308000 1.570000 
1 1 1   12   18   20 o   2.5950   0.8185   3.1760   1.3140   2.0130   0.9760 1.163000 1.637000 
1 1 1   12   18   21 o   4.1120   0.7692   4.4960   1.0430   3.7270   1.1310 0.7684000 1.538000 
1 1 1   12   18   22 o   2.8450   0.7928   3.0290   1.1500   2.6610   1.0920 0.3684000 1.586000 
1 1 1   12   18   23 o   4.6120   0.7566   4.0240   1.1660   5.2000   0.9644 -1.176000 1.513000 
1 1 1   12   18   24 o   2.9160   0.8092   2.8330   1.1320   2.9980   1.1570 -0.1649000 1.618000 
1 1 1   12   18   25 o   2.8450   0.8818   2.3160   1.0920   3.3730   1.3850 -1.058000 1.764000 
1 1 1   12   18   26 o   2.9120   0.7897   3.5030   1.1910   2.3210   1.0370 1.182000 1.579000 
1 1 1   12   20    0 o   13.470   0.2493   13.570   0.3487   13.370   0.3564 0.1971000 0.4986000 
1 1 1   12   20    1 o   12.050   0.2662   11.930   0.3739   12.160   0.3789 -0.2275000 0.5323000 
1 1 1   12   20    2 o   12.210   0.2674   12.070   0.3810   12.360   0.3754 -0.2890000 0.5348000 
1 1 1   12   20    3 o   16.080   0.2993   15.880   0.4982   16.280   0.3317 -0.4044000 0.5985000 
1 1 1   12   20    4 f   25.940   0.2770   26.360   0.4366   25.520   0.3410 0.8438000 0.5540000 
1 1 1   12   20    5 o   12.570   0.3632   12.620   0.5759   12.520   0.4426 0.9528000E-01 0.7263000 
1 1 1   12   20    6 o   4.7170   0.8504   5.2430   1.1740   4.1910   1.2300 1.052000 1.701000 
1 1 1   12   20    7 o   16.730   0.2430   16.910   0.3692   16.540   0.3161 0.3785000 0.4860000 
1 1 1   12   20    8 o   3.2480   0.7692   2.9390   1.1290   3.5570   1.0450 -0.6182000 1.538000 
1 1 1   12   20    9 f   6.7670   0.4647   6.8600   0.7009   6.6730   0.6105 0.1873000 0.9295000 
1 1 1   12   20   10 f   2.0810   0.6656   2.3790   1.0320   1.7830   0.8407 0.5962000 1.331000 
1 1 1   12   20   11 o   15.470   0.2864   14.830   0.4764   16.110   0.3181 -1.286000 0.5729000 
1 1 1   12   20   12 o   7.5410   0.4422   7.1500   0.6649   7.9330   0.5832 -0.7828000 0.8845000 
1 1 1   12   20   13 o   6.5650   0.5273   6.6310   0.7373   6.4980   0.7541 0.1326000 1.055000 
1 1 1   12   20   14 o   7.9730   0.4438   8.0640   0.6194   7.8820   0.6357 0.1816000 0.8875000 
1 1 1   12   20   15 o   2.5420   0.7519   2.7970   1.1070   2.2870   1.0180 0.5096000 1.504000 
1 1 1   12   20   16 o   3.6350   0.7658   2.8060   1.1080   4.4640   1.0570 -1.657000 1.532000 
1 1 1   12   20   17 o   3.8190   0.8054   4.4050   1.1420   3.2340   1.1360 1.171000 1.611000 
1 1 1   12   20   18 o   5.8690   0.8289   6.5900   1.1150   5.1470   1.2270 1.443000 1.658000 
1 1 1   12   20   19 o   5.6740   0.6305   5.4540   0.9099   5.8950   0.8732 -0.4407000 1.261000 
1 1 1   12   20   20 o   10.300   0.3733   10.760   0.5111   9.8360   0.5441 0.9194000 0.7465000 
1 1 1   12   20   21 f   2.4870   0.7328   3.0710   1.1520   1.9020   0.9065 1.170000 1.466000 
1 1 1   12   20   22 o   3.3160   0.7753   4.1960   1.1320   2.4360   1.0600 1.760000 1.551000 
1 1 1   12   20   23 o   2.7050   0.8686   2.4110   1.1230   2.9990   1.3250 -0.5879000 1.737000 
1 1 1   12   20   24 o   3.0860   0.8162   3.5310   1.1970   2.6410   1.1100 0.8899000 1.632000 
1 1 1   12   22    0 o   6.5250   0.4696   7.7370   0.5341   5.3130   0.7727 2.424000 0.9393000 
1 1 1   12   22    1 o   3.4860   0.7374   3.8460   1.0270   3.1250   1.0590 0.7210000 1.475000 
1 1 1   12   22    2 o   10.690   0.2977   10.870   0.4150   10.510   0.4269 0.3506000 0.5954000 
1 1 1   12   22    3 o   12.710   0.2882   12.910   0.4371   12.520   0.3757 0.3887000 0.5764000 
1 1 1   12   22    4 o   14.850   0.2649   14.840   0.4087   14.850   0.3370 -0.8854000E-02 0.5297000 
1 1 1   12   22    5 o   5.5580   0.5973   5.7280   0.9111   5.3880   0.7728 0.3400000 1.195000 
1 1 1   12   22    6 o   9.7180   0.3873   10.230   0.6252   9.2090   0.4571 1.018000 0.7745000 
1 1 1   12   22    7 o   2.9840   0.6887   4.2140   1.0820   1.7540   0.8525 2.460000 1.377000 
1 1 1   12   22    8 o   6.2550   0.5170   5.7080   0.8413   6.8030   0.6010 -1.095000 1.034000 
1 1 1   12   22    9 o   8.8620   0.3580   9.0030   0.5376   8.7200   0.4728 0.2827000 0.7159000 
1 1 1   12   22   10 o   6.7030   0.4692   6.9360   0.7024   6.4710   0.6224 0.4652000 0.9385000 
1 1 1   12   22   11 o   10.350   0.3238   9.9130   0.5058   10.800   0.4044 -0.8832000 0.6476000 
1 1 1   12   22   12 o   4.6480   0.6780   3.4370   1.1550   5.8590   0.7104 -2.422000 1.356000 
1 1 1   12   22   13 o   9.4090   0.3536   9.6450   0.5195   9.1730   0.4800 0.4723000 0.7073000 
1 1 1   12   22   14 o   2.5890   0.7691   2.6950   1.1280   2.4820   1.0450 0.2130000 1.538000 
1 1 1   12   22   15 f   3.8790   0.9164   4.8950   1.3440   2.8630   1.2460 2.031000 1.833000 
1 1 1   12   22   16 o   3.6250   0.9414   3.0490   1.2140   4.2010   1.4390 -1.152000 1.883000 
1 1 1   12   22   17 o   2.2490   0.7156   2.1540   0.9793   2.3440   1.0440 -0.1896000 1.431000 
1 1 1   12   22   18 o   2.3600   0.7207   1.8020   0.8709   2.9180   1.1490 -1.116000 1.441000 
1 1 1   12   22   19 o   2.4540   0.7524   2.2060   1.0050   2.7030   1.1200 -0.4973000 1.505000 
1 1 1   12   22   20 o   2.7860   0.8004   2.7430   1.1170   2.8280   1.1470 -0.8507000E-01 1.601000 
1 1 1   12   22   21 o   2.5100   0.8254   2.7420   1.2210   2.2790   1.1110 0.4631000 1.651000 
1 1 1   12   22   22 o   3.8300   0.9229   4.6250   1.3720   3.0350   1.2350 1.590000 1.846000 
1 1 1   12   24    0 o   4.4020   0.6537   4.2170   0.9511   4.5880   0.8970 -0.3711000 1.307000 
1 1 1   12   24    1 o   3.1500   0.7045   2.4200   0.9989   3.8800   0.9937 -1.461000 1.409000 
1 1 1   12   24    2 o   6.1020   0.4838   6.1880   0.6829   6.0150   0.6855 0.1732000 0.9677000 
1 1 1   12   24    3 f   12.510   0.2873   12.520   0.4417   12.510   0.3675 0.1024000E-01 0.5746000 
1 1 1   12   24    4 o   5.8850   0.5680   5.5550   0.9302   6.2150   0.6520 -0.6605000 1.136000 
1 1 1   12   24    5 o   7.8010   0.4210   8.6470   0.6012   6.9560   0.5894 1.691000 0.8419000 
1 1 1   12   24    6 o   3.7510   0.7604   3.7970   1.1370   3.7050   1.0100 0.9280000E-01 1.521000 
1 1 1   12   24    7 o   8.8060   0.3742   9.2240   0.5529   8.3880   0.5045 0.8358000 0.7484000 
1 1 1   12   24    8 f   8.8220   0.3733   8.8080   0.5667   8.8360   0.4860 -0.2741000E-01 0.7466000 
1 1 1   12   24    9 o   3.9230   0.7508   4.0050   1.1120   3.8400   1.0090 0.1648000 1.502000 
1 1 1   12   24   10 o   9.5970   0.4001   9.7280   0.6090   9.4670   0.5192 0.2605000 0.8003000 
1 1 1   12   24   11 o   11.370   0.3586   11.640   0.5407   11.110   0.4714 0.5316000 0.7173000 
1 1 1   12   24   12 o   2.8620   0.8190   2.5920   1.1350   3.1310   1.1810 -0.5385000 1.638000 
1 1 1   12   24   13 o   3.2190   0.8634   3.1960   1.2380   3.2430   1.2040 -0.4724000E-01 1.727000 
1 1 1   12   24   14 o   2.8430   0.7561   2.4670   1.0490   3.2190   1.0890 -0.7511000 1.512000 
1 1 1   12   24   15 o   4.8070   0.6816   5.3960   0.9103   4.2180   1.0150 1.178000 1.363000 
1 1 1   12   24   16 o   2.3600   0.7315   2.1000   0.9699   2.6190   1.0950 -0.5191000 1.463000 
1 1 1   12   24   17 o   2.6810   0.7876   2.5840   1.0890   2.7790   1.1380 -0.1951000 1.575000 
1 1 1   12   24   18 f   3.9460   0.8701   4.2250   1.1500   3.6660   1.3060 0.5589000 1.740000 
1 1 1   12   24   19 f   2.9530   0.9087   3.0800   1.2980   2.8260   1.2710 0.2545000 1.817000 
1 1 1   12   24   20 o   1.9690   0.6663   1.8070   0.8805   2.1320   1.0000 -0.3254000 1.333000 
1 1 1   12   26    0 o   7.8300   0.4392   7.7870   0.6160   7.8730   0.6262 -0.8576000E-01 0.8784000 
1 1 1   12   26    1 o   2.8740   0.7769   2.5330   1.0600   3.2150   1.1360 -0.6819000 1.554000 
1 1 1   12   26    2 o   5.7820   0.6058   5.1190   0.9402   6.4450   0.7642 -1.326000 1.212000 
1 1 1   12   26    3 o   3.3850   0.8875   3.7670   1.2790   3.0040   1.2310 0.7621000 1.775000 
1 1 1   12   26    4 o   4.9930   0.7714   4.7190   1.2720   5.2670   0.8732 -0.5480000 1.543000 
1 1 1   12   26    5 o   4.3800   0.7928   3.6910   1.3020   5.0700   0.9055 -1.379000 1.586000 
1 1 1   12   26    6 o   4.2270   0.7518   4.4490   1.1200   4.0050   1.0030 0.4444000 1.504000 
1 1 1   12   26    7 o   5.9370   0.6509   6.0010   0.9665   5.8720   0.8722 0.1288000 1.302000 
1 1 1   12   26    8 o   6.4020   0.6314   7.0540   0.8591   5.7500   0.9255 1.304000 1.263000 
1 1 1   12   26    9 o   7.5490   0.5413   7.6200   0.7920   7.4770   0.7381 0.1433000 1.083000 
1 1 1   12   26   10 o   2.7650   0.7653   2.6240   1.0780   2.9070   1.0860 -0.2830000 1.531000 
1 1 1   12   26   11 o   2.2920   0.6924   1.8790   0.8946   2.7050   1.0570 -0.8263000 1.385000 
1 1 1   12   26   12 o   2.1840   0.6876   1.9690   0.9263   2.3990   1.0170 -0.4300000 1.375000 
1 1 1   12   26   13 o   3.3370   0.7539   2.5590   1.0890   4.1140   1.0430 -1.555000 1.508000 
1 1 1   12   26   14 o   3.4090   0.8097   3.7110   1.1850   3.1080   1.1030 0.6030000 1.619000 
1 1 1   12   26   15 o   2.0220   0.6693   2.1890   0.9985   1.8540   0.8916 0.3360000 1.339000 
1 1 1   12   26   16 o   2.2400   0.7506   2.3130   1.0880   2.1680   1.0340 0.1453000 1.501000 
1 1 1   12   26   17 o   2.2930   0.7552   2.4570   1.1340   2.1300   0.9970 0.3266000 1.510000 
1 1 1   12   28    0 o   2.5800   0.7700   2.3820   1.0490   2.7780   1.1280 -0.3957000 1.540000 
1 1 1   12   28    1 f   4.5610   0.7699   4.8260   1.0530   4.2960   1.1240 0.5305000 1.540000 
1 1 1   12   28    2 o   5.4730   0.6720   5.9910   0.8457   4.9540   1.0450 1.037000 1.344000 
1 1 1   12   28    3 o   4.2450   0.7691   4.5360   1.1240   3.9550   1.0500 0.5815000 1.538000 
1 1 1   12   28    4 o   2.6480   0.7614   2.4700   1.0830   2.8250   1.0700 -0.3548000 1.523000 
1 1 1   12   28    5 o   2.4570   0.7418   2.5600   1.0950   2.3540   1.0010 0.2059000 1.484000 
1 1 1   12   28    6 f   5.4710   0.6324   6.2510   0.8477   4.6920   0.9388 1.559000 1.265000 
1 1 1   12   28    7 o   2.8290   0.7691   2.6730   1.1000   2.9850   1.0760 -0.3120000 1.538000 
1 1 1   12   28    8 o   4.1260   0.7558   3.7150   1.1820   4.5380   0.9420 -0.8227000 1.512000 
1 1 1   12   28    9 o   3.6870   0.7269   2.6650   1.1110   4.7090   0.9373 -2.045000 1.454000 
1 1 1   12   28   10 o   7.4180   0.4998   7.5500   0.6897   7.2860   0.7237 0.2643000 0.9997000 
1 1 1   12   28   11 o   4.3210   0.7998   4.4730   1.1080   4.1690   1.1530 0.3040000 1.600000 
1 1 1   12   28   12 o   1.9190   0.6643   2.1790   1.0440   1.6580   0.8217 0.5211000 1.329000 
1 1 1   12   28   13 o   2.8620   0.8559   3.2250   1.3220   2.4990   1.0870 0.7262000 1.712000 
1 1 1   12   30    0 f   3.1860   0.7953   3.9980   1.1980   2.3730   1.0470 1.625000 1.591000 
1 1 1   12   30    1 o   4.0010   0.8212   4.4340   1.1370   3.5680   1.1850 0.8652000 1.642000 
1 1 1   12   30    2 o   2.6080   0.7553   3.2570   1.1940   1.9590   0.9255 1.299000 1.511000 
1 1 1   12   30    3 o   4.0240   0.8066   3.3450   1.2060   4.7030   1.0710 -1.358000 1.613000 
1 1 1   12   30    4 o   2.6180   0.7717   2.3170   1.0460   2.9180   1.1350 -0.6008000 1.543000 
1 1 1   12   30    5 o   2.1410   0.6895   2.1900   1.0050   2.0930   0.9446 0.9705000E-01 1.379000 
1 1 1   12   30    6 o   2.7160   0.7638   3.3790   1.2070   2.0520   0.9360 1.327000 1.528000 
1 1 1   12   30    7 o   2.9110   0.8298   2.6120   1.1740   3.2090   1.1740 -0.5976000 1.660000 
1 1 1   13    1    0 o   8.1300   0.1258   8.0920   0.1757   8.1670   0.1802 -0.7464000E-01 0.2517000 
1 1 1   13    1    1 o   36.440   0.2390   36.570   0.3706   36.300   0.3018 0.2694000 0.4780000 
1 1 1   13    1    2 o   49.090   0.4281   49.120   0.6988   49.060   0.4946 0.6540000E-01 0.8561000 
1 1 1   13    1    3 o   23.480   0.1709   22.900   0.2627   24.060   0.2187 -1.161000 0.3418000 
1 1 1   13    1    4 o   37.070   0.2229   37.440   0.3179   36.710   0.3125 0.7297000 0.4458000 
1 1 1   13    1    5 o   56.060   0.3277   56.670   0.4684   55.450   0.4585 1.219000 0.6554000 
1 1 1   13    1    6 o   8.3420   0.1834   8.2990   0.2600   8.3840   0.2586 -0.8468000E-01 0.3668000 
1 1 1   13    1    7 o   5.9420   0.4055   6.0000   0.4464   5.8840   0.6770 0.1160000 0.8109000 
1 1 1   13    1    8 o   20.680   0.1506   20.710   0.1968   20.640   0.2279 0.6909000E-01 0.3011000 
1 1 1   13    1    9 o   24.780   0.1655   24.740   0.2167   24.810   0.2503 -0.7206000E-01 0.3311000 
1 1 1   13    1   10 o   22.110   0.1625   22.090   0.2124   22.130   0.2459 -0.4611000E-01 0.3250000 
1 1 1   13    1   11 o   26.100   0.1775   26.210   0.2327   26.000   0.2682 0.2159000 0.3551000 
1 1 1   13    1   12 o   14.640   0.1777   14.700   0.2318   14.570   0.2694 0.1303000 0.3553000 
1 1 1   13    1   13 o   12.380   0.2063   12.260   0.2708   12.500   0.3114 -0.2433000 0.4127000 
1 1 1   13    1   14 o   56.910   0.3212   56.880   0.4199   56.930   0.4863 -0.4972000E-01 0.6425000 
1 1 1   13    1   15 o   46.680   0.3581   46.710   0.5059   46.650   0.5069 0.6178000E-01 0.7162000 
1 1 1   13    1   16 o   23.410   0.2035   23.280   0.2650   23.530   0.3089 -0.2405000 0.4070000 
1 1 1   13    1   17 o   35.620   0.2340   35.620   0.3057   35.610   0.3544 0.9842000E-02 0.4681000 
1 1 1   13    1   18 o   24.340   0.2139   24.420   0.2793   24.250   0.3241 0.1676000 0.4279000 
1 1 1   13    1   19 o   12.620   0.2798   12.780   0.3608   12.450   0.4279 0.3292000 0.5597000 
1 1 1   13    1   20 o   12.510   0.4626   12.840   0.5114   12.190   0.7710 0.6499000 0.9252000 
1 1 1   13    1   21 o   7.0990   0.4363   7.0260   0.5638   7.1720   0.6662 -0.1459000 0.8727000 
1 1 1   13    1   22 o   12.990   0.2668   13.210   0.3460   12.770   0.4064 0.4474000 0.5337000 
1 1 1   13    1   23 o   3.8370   0.7235   4.4420   0.9118   3.2310   1.1240 1.211000 1.447000 
1 1 1   13    1   24 o   2.2180   0.6996   2.3430   1.0200   2.0920   0.9576 0.2506000 1.399000 
1 1 1   13    1   25 o   3.7710   0.7956   3.6120   1.1400   3.9300   1.1100 -0.3177000 1.591000 
1 1 1   13    1   26 o   8.5600   0.4445   7.8550   0.6188   9.2650   0.6383 -1.410000 0.8890000 
1 1 1   13    1   27 o   4.0710   0.8911   4.0910   1.2560   4.0500   1.2640 0.4137000E-01 1.782000 
1 1 1   13    1   28 o   2.6880   0.7682   3.0160   1.1380   2.3600   1.0330 0.6556000 1.536000 
1 1 1   13    1   29 o   3.8520   0.8120   4.3230   1.1210   3.3800   1.1750 0.9429000 1.624000 
1 1 1   13    1   30 o   2.2730   0.7212   2.0910   0.9697   2.4540   1.0680 -0.3633000 1.442000 
1 1 1   13    1   31 o   2.1010   0.7415   2.2430   1.1090   1.9580   0.9839 0.2847000 1.483000 
1 1 1   13    1   32 o   3.0920   0.7489   4.1250   1.1490   2.0590   0.9605 2.066000 1.498000 
1 1 1   13    3    0 o   46.450   0.3020   46.560   0.4677   46.350   0.3822 0.2131000 0.6040000 
1 1 1   13    3    1 f   49.220   0.3523   49.440   0.5003   49.010   0.4961 0.4339000 0.7045000 
1 1 1   13    3    2 o   14.120   0.2232   14.120   0.2232  ?   ?       ?      ? 
1 1 1   13    3    3 o   20.570   0.1450   20.550   0.2066   20.590   0.2036 -0.4168000E-01 0.2900000 
1 1 1   13    3    4 o   21.150   0.1502   21.280   0.2135   21.010   0.2114 0.2648000 0.3004000 
1 1 1   13    3    5 o   24.050   0.1645   24.080   0.2326   24.020   0.2326 0.6028000E-01 0.3289000 
1 1 1   13    3    6 o   28.710   0.2079   28.880   0.2662   28.530   0.3195 0.3431000 0.4159000 
1 1 1   13    3    7 o   19.700   0.1962   19.610   0.2760   19.790   0.2788 -0.1728000 0.3924000 
1 1 1   13    3    8 o   28.930   0.1924   28.680   0.2700   29.180   0.2741 -0.5043000 0.3847000 
1 1 1   13    3    9 o   41.600   0.2555   41.110   0.3574   42.100   0.3653 -0.9968000 0.5111000 
1 1 1   13    3   10 o   17.930   0.1711   17.770   0.2410   18.090   0.2429 -0.3155000 0.3422000 
1 1 1   13    3   11 o   8.7570   0.2479   8.8330   0.3431   8.6800   0.3579 0.1536000 0.4957000 
1 1 1   13    3   12 o   8.2670   0.2783   8.3410   0.3919   8.1930   0.3952 0.1481000 0.5566000 
1 1 1   13    3   13 o   22.680   0.1824   22.670   0.2384   22.700   0.2762 -0.2657000E-01 0.3649000 
1 1 1   13    3   14 o   23.060   0.1909   23.270   0.2496   22.850   0.2889 0.4242000 0.3818000 
1 1 1   13    3   15 o   25.100   0.2597   24.950   0.3636   25.260   0.3708 -0.3092000 0.5194000 
1 1 1   13    3   16 o   24.260   0.2042   24.270   0.2677   24.240   0.3084 0.2814000E-01 0.4084000 
1 1 1   13    3   17 o   24.710   0.2100   24.730   0.2759   24.690   0.3166 0.4120000E-01 0.4199000 
1 1 1   13    3   18 o   23.050   0.2122   22.870   0.2792   23.230   0.3196 -0.3603000 0.4244000 
1 1 1   13    3   19 o   19.740   0.2649   20.010   0.3316   19.460   0.4132 0.5518000 0.5298000 
1 1 1   13    3   20 o   18.680   0.3017   19.470   0.4177   17.880   0.4354 1.591000 0.6034000 
1 1 1   13    3   21 o   6.6360   0.4617   6.6300   0.6020   6.6420   0.7002 -0.1231000E-01 0.9234000 
1 1 1   13    3   22 o   8.9890   0.3486   8.5370   0.4727   9.4410   0.5124 -0.9038000 0.6972000 
1 1 1   13    3   23 f   7.2080   0.4334   7.5930   0.5363   6.8230   0.6811 0.7700000 0.8669000 
1 1 1   13    3   24 o   3.3210   0.7059   4.1770   0.9480   2.4660   1.0460 1.710000 1.412000 
1 1 1   13    3   25 o   4.9590   0.6208   4.6680   0.8590   5.2500   0.8965 -0.5823000 1.242000 
1 1 1   13    3   26 o   2.5820   0.7324   2.1970   0.9546   2.9680   1.1110 -0.7708000 1.465000 
1 1 1   13    3   27 o   2.2040   1.0190   2.2040   1.0190  ?   ?       ?      ? 
1 1 1   13    3   28 o   1.9700   0.6484   1.8810   0.8797   2.0590   0.9529 -0.1776000 1.297000 
1 1 1   13    3   29 o   3.1100   0.7707   2.2850   0.9968   3.9350   1.1760 -1.650000 1.541000 
1 1 1   13    3   30 o   3.1330   0.7850   3.6340   1.1060   2.6330   1.1150 1.001000 1.570000 
1 1 1   13    3   31 o   2.5550   0.8187   3.0130   1.2640   2.0980   1.0410 0.9153000 1.637000 
1 1 1   13    3   32 o   2.0890   0.7097   1.8080   0.8883   2.3700   1.1070 -0.5616000 1.419000 
1 1 1   13    5    0 o   46.680   0.2579   47.070   0.3922   46.290   0.3349 0.7780000 0.5157000 
1 1 1   13    5    1 f   56.050   0.3273   55.830   0.4613   56.260   0.4644 -0.4344000 0.6546000 
1 1 1   13    5    2 o   35.960   0.2193   36.150   0.3117   35.780   0.3086 0.3731000 0.4386000 
1 1 1   13    5    3 o   26.520   0.1969   26.730   0.3077   26.300   0.2456 0.4289000 0.3937000 
1 1 1   13    5    4 o   27.260   0.2162   27.150   0.3049   27.370   0.3067 -0.2182000 0.4325000 
1 1 1   13    5    5 o   28.730   0.2088   28.970   0.2683   28.490   0.3199 0.4824000 0.4175000 
1 1 1   13    5    6 o   12.840   0.2107   12.860   0.3004   12.830   0.2955 0.3400000E-01 0.4214000 
1 1 1   13    5    7 o   8.6460   0.2147   8.8900   0.2982   8.4010   0.3091 0.4881000 0.4295000 
1 1 1   13    5    8 o   18.230   0.1664   18.210   0.2339   18.250   0.2369 -0.4212000E-01 0.3329000 
1 1 1   13    5    9 o   31.800   0.2114   31.760   0.2984   31.850   0.2995 -0.8776000E-01 0.4228000 
1 1 1   13    5   10 o   27.400   0.1969   27.030   0.2769   27.770   0.2800 -0.7402000 0.3938000 
1 1 1   13    5   11 o   13.570   0.2030   13.390   0.2877   13.750   0.2865 -0.3623000 0.4060000 
1 1 1   13    5   12 o   11.880   0.2270   11.810   0.3190   11.960   0.3229 -0.1562000 0.4540000 
1 1 1   13    5   13 o   29.710   0.2171   29.410   0.3063   30.010   0.3078 -0.6084000 0.4342000 
1 1 1   13    5   14 o   20.290   0.3073   20.310   0.4911   20.270   0.3694 0.3882000E-01 0.6145000 
1 1 1   13    5   15 o   44.670   0.3521   44.780   0.5011   44.560   0.4947 0.2281000 0.7041000 
1 1 1   13    5   16 o   16.500   0.2411   16.810   0.3419   16.190   0.3401 0.6121000 0.4822000 
1 1 1   13    5   17 o   10.640   0.3326   10.500   0.4774   10.780   0.4631 -0.2835000 0.6651000 
1 1 1   13    5   18 o   16.800   0.2292   16.530   0.3003   17.070   0.3464 -0.5373000 0.4584000 
1 1 1   13    5   19 o   8.3430   0.5919   8.1130   0.7417   8.5730   0.9226 -0.4599000 1.184000 
1 1 1   13    5   20 o   5.1410   0.6140   5.3920   0.7694   4.8890   0.9572 0.5028000 1.228000 
1 1 1   13    5   21 o   6.7800   0.4558   6.8570   0.5902   6.7040   0.6947 0.1532000 0.9115000 
1 1 1   13    5   22 o   2.4060   0.7089   2.6150   1.0220   2.1980   0.9828 0.4162000 1.418000 
1 1 1   13    5   23 o   8.3790   0.3775   8.1070   0.5116   8.6500   0.5552 -0.5432000 0.7549000 
1 1 1   13    5   24 o   2.9940   0.7577   2.7030   1.0220   3.2850   1.1190 -0.5821000 1.515000 
1 1 1   13    5   25 o   3.6940   0.7560   3.2840   1.0560   4.1030   1.0820 -0.8189000 1.512000 
1 1 1   13    5   26 f   5.1190   0.6222   5.4910   0.7576   4.7460   0.9873 0.7454000 1.244000 
1 1 1   13    5   27 o   4.9460   0.8071   4.3330   1.2230   5.5600   1.0540 -1.226000 1.614000 
1 1 1   13    5   28 o   3.0480   0.7579   2.3820   1.0040   3.7130   1.1360 -1.331000 1.516000 
1 1 1   13    5   29 o   2.1080   0.6705   2.3390   0.9969   1.8770   0.8970 0.4621000 1.341000 
1 1 1   13    5   30 o   3.1950   0.8066   2.6950   1.0790   3.6940   1.1990 -0.9991000 1.613000 
1 1 1   13    5   31 o   2.4110   0.8032   2.4560   1.1320   2.3650   1.1390 0.9074000E-01 1.606000 
1 1 1   13    7    0 o   53.840   0.3173   53.830   0.4487   53.850   0.4488 -0.2134000E-01 0.6346000 
1 1 1   13    7    1 o   18.730   0.1706   18.800   0.2169   18.650   0.2633 0.1514000 0.3412000 
1 1 1   13    7    2 o   34.940   0.2423   35.550   0.3138   34.320   0.3694 1.222000 0.4847000 
1 1 1   13    7    3 o   21.400   0.1642   21.530   0.2324   21.270   0.2319 0.2608000 0.3283000 
1 1 1   13    7    4 o   4.7330   0.4442   4.6170   0.6605   4.8500   0.5940 -0.2336000 0.8883000 
1 1 1   13    7    5 o   23.450   0.1746   23.440   0.2462   23.460   0.2477 -0.2653000E-01 0.3492000 
1 1 1   13    7    6 o   9.6080   0.2098   9.7860   0.2868   9.4310   0.3062 0.3549000 0.4195000 
1 1 1   13    7    7 o   6.0000   0.3203   5.9640   0.4476   6.0360   0.4584 -0.7225000E-01 0.6407000 
1 1 1   13    7    8 o   26.300   0.1918   26.040   0.2700   26.560   0.2725 -0.5102000 0.3836000 
1 1 1   13    7    9 o   15.780   0.1880   15.790   0.2700   15.770   0.2617 0.1527000E-01 0.3760000 
1 1 1   13    7   10 o   1.9330   0.5849   2.3280   0.9143   1.5380   0.7298 0.7902000 1.170000 
1 1 1   13    7   11 o   38.410   0.2499   38.590   0.3562   38.230   0.3507 0.3637000 0.4999000 
1 1 1   13    7   12 o   22.250   0.2042   22.580   0.2916   21.920   0.2858 0.6618000 0.4083000 
1 1 1   13    7   13 o   43.070   0.3055   42.820   0.4692   43.320   0.3914 -0.4996000 0.6110000 
1 1 1   13    7   14 o   10.670   0.3907   10.540   0.5656   10.810   0.5390 -0.2707000 0.7813000 
1 1 1   13    7   15 o   30.320   0.2319   30.030   0.3279   30.610   0.3279 -0.5795000 0.4637000 
1 1 1   13    7   16 o   9.2120   0.3720   8.7870   0.5482   9.6370   0.5029 -0.8503000 0.7439000 
1 1 1   13    7   17 o   14.470   0.2643   14.330   0.3772   14.610   0.3705 -0.2773000 0.5287000 
1 1 1   13    7   18 o   13.540   0.3118   13.370   0.4101   13.710   0.4696 -0.3388000 0.6235000 
1 1 1   13    7   19 o   6.2760   0.6618   6.3980   0.9628   6.1530   0.9081 0.2450000 1.324000 
1 1 1   13    7   20 o   14.400   0.2667   14.680   0.3727   14.120   0.3815 0.5594000 0.5334000 
1 1 1   13    7   21 o   14.310   0.2705   14.260   0.3870   14.360   0.3781 -0.9832000E-01 0.5410000 
1 1 1   13    7   22 o   2.9660   0.7571   3.0960   1.0430   2.8370   1.0980 0.2589000 1.514000 
1 1 1   13    7   23 o   4.2760   0.6597   5.6400   0.7168   2.9130   1.1080 2.727000 1.319000 
1 1 1   13    7   24 o   3.0690   0.7566   2.6460   1.0200   3.4920   1.1180 -0.8467000 1.513000 
1 1 1   13    7   25 o   4.1960   0.6929   5.2120   0.8032   3.1810   1.1290 2.031000 1.386000 
1 1 1   13    7   26 o   6.1890   0.6885   6.2430   0.9487   6.1350   0.9981 0.1081000 1.377000 
1 1 1   13    7   27 o   2.0980   0.6702   2.1070   0.9418   2.0880   0.9537 0.1972000E-01 1.340000 
1 1 1   13    7   28 o   3.2070   0.7908   2.8780   1.0690   3.5360   1.1660 -0.6572000 1.582000 
1 1 1   13    7   29 o   2.5090   0.7477   2.1870   0.9748   2.8310   1.1340 -0.6437000 1.495000 
1 1 1   13    7   30 o   2.3710   0.7983   2.3320   1.1010   2.4110   1.1570 -0.7820000E-01 1.597000 
1 1 1   13    7   31 o   2.4740   0.7448   2.5340   1.0560   2.4140   1.0510 0.1205000 1.490000 
1 1 1   13    9    0 o   27.280   0.2127   27.310   0.3274   27.240   0.2715 0.6699000E-01 0.4254000 
1 1 1   13    9    1 o   12.590   0.2045   12.530   0.3138   12.660   0.2622 -0.1253000 0.4090000 
1 1 1   13    9    2 o   18.580   0.2037   17.760   0.2775   19.390   0.2982 -1.630000 0.4074000 
1 1 1   13    9    3 o   22.070   0.1647   22.430   0.2476   21.700   0.2173 0.7301000 0.3294000 
1 1 1   13    9    4 o   9.3420   0.2236   9.4500   0.3098   9.2340   0.3225 0.2157000 0.4472000 
1 1 1   13    9    5 o   20.720   0.1776   20.720   0.2501   20.730   0.2521 -0.1299000E-01 0.3551000 
1 1 1   13    9    6 o   11.450   0.2084   11.180   0.2986   11.730   0.2909 -0.5537000 0.4169000 
1 1 1   13    9    7 o   27.180   0.2012   27.010   0.2820   27.350   0.2872 -0.3469000 0.4025000 
1 1 1   13    9    8 o   17.470   0.2094   17.460   0.3155   17.480   0.2753 -0.2512000E-01 0.4187000 
1 1 1   13    9    9 o   39.740   0.2554   39.880   0.3627   39.590   0.3597 0.2842000 0.5108000 
1 1 1   13    9   10 o   24.760   0.2038   24.820   0.2911   24.690   0.2853 0.1362000 0.4076000 
1 1 1   13    9   11 o   43.920   0.2794   43.600   0.3941   44.250   0.3962 -0.6496000 0.5588000 
1 1 1   13    9   12 o   28.430   0.3271   28.910   0.5281   27.960   0.3861 0.9477000 0.6542000 
1 1 1   13    9   13 o   4.4750   0.8252   5.3560   1.0820   3.5940   1.2460 1.761000 1.650000 
1 1 1   13    9   14 o   11.730   0.2986   11.540   0.4302   11.920   0.4141 -0.3807000 0.5971000 
1 1 1   13    9   15 o   32.440   0.2439   32.080   0.3462   32.810   0.3436 -0.7302000 0.4878000 
1 1 1   13    9   16 o   15.040   0.2613   14.680   0.3739   15.390   0.3650 -0.7142000 0.5225000 
1 1 1   13    9   17 o   14.490   0.2941   14.390   0.3883   14.590   0.4417 -0.2027000 0.5881000 
1 1 1   13    9   18 o   5.6590   0.7487   6.4070   0.9538   4.9110   1.1540 1.496000 1.497000 
1 1 1   13    9   19 o   6.7150   0.4931   6.7520   0.7020   6.6790   0.6928 0.7305000E-01 0.9863000 
1 1 1   13    9   20 o   2.5300   0.7437   2.6460   1.0740   2.4130   1.0290 0.2323000 1.487000 
1 1 1   13    9   21 o   19.750   0.2380   19.800   0.3408   19.710   0.3321 0.8476000E-01 0.4759000 
1 1 1   13    9   22 o   6.9770   0.4743   6.9230   0.6738   7.0310   0.6677 -0.1077000 0.9486000 
1 1 1   13    9   23 o   3.0160   0.7795   3.2410   1.1220   2.7910   1.0820 0.4505000 1.559000 
1 1 1   13    9   24 o   2.1260   0.6818   2.1300   0.9711   2.1230   0.9574 0.7084000E-02 1.364000 
1 1 1   13    9   25 o   7.5680   0.4554   7.7880   0.6277   7.3470   0.6601 0.4409000 0.9109000 
1 1 1   13    9   26 o   3.0520   0.8308   3.3620   1.1810   2.7430   1.1690 0.6197000 1.662000 
1 1 1   13    9   27 f   3.4320   0.7259   4.3490   0.9750   2.5160   1.0760 1.833000 1.452000 
1 1 1   13    9   28 o   2.4200   0.7399   2.2870   0.9976   2.5520   1.0930 -0.2654000 1.480000 
1 1 1   13    9   29 o   2.9570   0.8036   2.9670   1.1190   2.9470   1.1540 0.2087000E-01 1.607000 
1 1 1   13    9   30 o   2.2960   0.7772   1.6520   0.8328   2.9390   1.3130 -1.287000 1.554000 
1 1 1   13   11    0 o   32.760   0.1902   32.710   0.2676   32.820   0.2702 -0.1012000 0.3803000 
1 1 1   13   11    1 o   26.330   0.1701   26.730   0.2414   25.940   0.2398 0.7903000 0.3403000 
1 1 1   13   11    2 o   34.640   0.2407   34.840   0.3912   34.440   0.2806 0.4010000 0.4814000 
1 1 1   13   11    3 o   44.210   0.2575   44.300   0.3893   44.120   0.3373 0.1807000 0.5151000 
1 1 1   13   11    4 o   40.600   0.2419   40.720   0.3657   40.490   0.3169 0.2267000 0.4839000 
1 1 1   13   11    5 o   15.090   0.2018   15.270   0.2850   14.920   0.2857 0.3563000 0.4035000 
1 1 1   13   11    6 o   6.4990   0.3792   7.0690   0.4967   5.9290   0.5732 1.140000 0.7585000 
1 1 1   13   11    7 f   40.780   0.2618   41.240   0.3742   40.310   0.3663 0.9316000 0.5236000 
1 1 1   13   11    8 o   20.030   0.2264   20.580   0.2885   19.490   0.3490 1.094000 0.4529000 
1 1 1   13   11    9 o   18.550   0.2123   17.970   0.3041   19.120   0.2962 -1.152000 0.4245000 
1 1 1   13   11   10 o   28.740   0.2432   28.710   0.3711   28.770   0.3145 -0.6511000E-01 0.4864000 
1 1 1   13   11   11 o   9.1460   0.4459   8.9420   0.6476   9.3510   0.6132 -0.4085000 0.8918000 
1 1 1   13   11   12 o   19.000   0.2304   19.150   0.3264   18.850   0.3253 0.2932000 0.4608000 
1 1 1   13   11   13 o   31.260   0.2381   31.000   0.3374   31.530   0.3359 -0.5281000 0.4761000 
1 1 1   13   11   14 o   23.640   0.2280   23.240   0.3245   24.040   0.3203 -0.7954000 0.4559000 
1 1 1   13   11   15 o   7.1020   0.4655   7.4680   0.6261   6.7350   0.6890 0.7325000 0.9310000 
1 1 1   13   11   16 o   8.0950   0.6118   8.7120   0.7546   7.4770   0.9632 1.235000 1.224000 
1 1 1   13   11   17 o   9.3040   0.4766   9.0610   0.7339   9.5480   0.6083 -0.4876000 0.9532000 
1 1 1   13   11   18 o   5.4440   0.6276   5.9190   0.8303   4.9700   0.9412 0.9496000 1.255000 
1 1 1   13   11   19 o   9.9860   0.3501   10.620   0.4715   9.3470   0.5176 1.277000 0.7002000 
1 1 1   13   11   20 f   3.9430   0.7187   2.9550   1.1040   4.9300   0.9208 -1.975000 1.437000 
1 1 1   13   11   21 o   13.450   0.2802   13.350   0.4024   13.550   0.3900 -0.2028000 0.5604000 
1 1 1   13   11   22 o   6.4800   0.5031   6.8330   0.6833   6.1270   0.7387 0.7053000 1.006000 
1 1 1   13   11   23 o   4.4210   0.6974   5.5110   0.8416   3.3310   1.1120 2.179000 1.395000 
1 1 1   13   11   24 o   3.7830   0.7787   3.7840   1.1300   3.7830   1.0710 0.1468000E-02 1.557000 
1 1 1   13   11   25 o   5.7600   0.8427   7.4140   1.0820   4.1070   1.2920 3.307000 1.685000 
1 1 1   13   11   26 o   3.0790   0.7825   2.4780   1.0600   3.6800   1.1510 -1.202000 1.565000 
1 1 1   13   11   27 o   2.6800   0.7832   2.5070   1.0730   2.8530   1.1420 -0.3458000 1.566000 
1 1 1   13   11   28 o   2.3400   0.7329   2.0810   0.9734   2.6000   1.0960 -0.5188000 1.466000 
1 1 1   13   11   29 o   2.7810   0.8790   2.8680   1.2420   2.6940   1.2440 0.1739000 1.758000 
1 1 1   13   11   30 o   2.0120   0.6728   1.9900   0.9352   2.0350   0.9675 -0.4578000E-01 1.346000 
1 1 1   13   13    0 o   41.290   0.2296   41.350   0.3244   41.230   0.3252 0.1161000 0.4593000 
1 1 1   13   13    1 o   16.220   0.1791   15.970   0.2512   16.470   0.2554 -0.5034000 0.3582000 
1 1 1   13   13    2 o   56.920   0.3219   56.590   0.4842   57.240   0.4242 -0.6468000 0.6438000 
1 1 1   13   13    3 o   38.990   0.2556   38.430   0.3585   39.560   0.3646 -1.130000 0.5113000 
1 1 1   13   13    4 f   4.1030   0.6039   4.6580   0.8113   3.5490   0.8949 1.109000 1.208000 
1 1 1   13   13    5 o   8.0340   0.3245   7.7510   0.5069   8.3160   0.4051 -0.5646000 0.6489000 
1 1 1   13   13    6 o   29.360   0.2431   29.270   0.3723   29.440   0.3127 -0.1760000 0.4862000 
1 1 1   13   13    7 o   35.860   0.2720   35.800   0.4175   35.920   0.3486 -0.1176000 0.5439000 
1 1 1   13   13    8 o   54.450   0.3781   53.770   0.4740   55.130   0.5891 -1.352000 0.7561000 
1 1 1   13   13    9 o   37.770   0.3212   38.360   0.4596   37.180   0.4488 1.186000 0.6424000 
1 1 1   13   13   10 o   37.500   0.2611   37.440   0.3689   37.550   0.3695 -0.1113000 0.5221000 
1 1 1   13   13   11 o   17.060   0.2498   17.190   0.3479   16.920   0.3586 0.2661000 0.4996000 
1 1 1   13   13   12 o   6.8380   0.4858   6.5510   0.7169   7.1250   0.6559 -0.5733000 0.9717000 
1 1 1   13   13   13 o   17.100   0.2450   17.030   0.3471   17.170   0.3457 -0.1420000 0.4899000 
1 1 1   13   13   14 o   22.930   0.2531   22.350   0.3316   23.520   0.3825 -1.167000 0.5062000 
1 1 1   13   13   15 f   14.450   0.3381   14.020   0.4965   14.870   0.4591 -0.8497000 0.6762000 
1 1 1   13   13   16 o   7.0320   0.4883   7.4160   0.6631   6.6480   0.7171 0.7685000 0.9767000 
1 1 1   13   13   17 o   3.7420   0.7580   3.0230   1.1160   4.4620   1.0260 -1.439000 1.516000 
1 1 1   13   13   18 o   4.1880   0.7531   4.0190   1.0960   4.3580   1.0330 -0.3387000 1.506000 
1 1 1   13   13   19 o   9.4370   0.3575   9.6680   0.5017   9.2070   0.5095 0.4611000 0.7150000 
1 1 1   13   13   20 o   2.8500   0.7628   3.3230   1.1370   2.3770   1.0170 0.9461000 1.526000 
1 1 1   13   13   21 o   7.9050   0.4173   8.2730   0.5765   7.5360   0.6035 0.7371000 0.8346000 
1 1 1   13   13   22 o   4.8160   0.6835   4.8720   0.9907   4.7600   0.9420 0.1120000 1.367000 
1 1 1   13   13   23 o   3.5740   0.8114   3.8280   1.1860   3.3210   1.1080 0.5066000 1.623000 
1 1 1   13   13   24 o   2.3650   0.7725   2.1780   1.0480   2.5520   1.1350 -0.3744000 1.545000 
1 1 1   13   13   25 o   4.4180   0.7493   3.5870   1.1660   5.2490   0.9409 -1.661000 1.499000 
1 1 1   13   13   26 o   2.2220   0.7039   1.8740   0.8961   2.5710   1.0860 -0.6967000 1.408000 
1 1 1   13   13   27 o   2.7550   0.7577   2.0800   0.9656   3.4300   1.1680 -1.349000 1.515000 
1 1 1   13   13   28 o   2.4520   0.8130   2.5870   1.1830   2.3170   1.1150 0.2698000 1.626000 
1 1 1   13   13   29 o   1.7170   0.5954   1.3820   0.7020   2.0530   0.9619 -0.6704000 1.191000 
1 1 1   13   15    0 o   13.780   0.2402   12.890   0.3432   14.670   0.3361 -1.779000 0.4803000 
1 1 1   13   15    1 o   16.990   0.2160   16.870   0.3029   17.100   0.3079 -0.2257000 0.4319000 
1 1 1   13   15    2 o   30.140   0.2720   30.600   0.3885   29.680   0.3808 0.9158000 0.5440000 
1 1 1   13   15    3 o   23.620   0.2356   23.790   0.3635   23.450   0.2999 0.3397000 0.4712000 
1 1 1   13   15    4 o   36.150   0.2344   35.870   0.3523   36.440   0.3093 -0.5704000 0.4688000 
1 1 1   13   15    5 o   13.320   0.3089   13.530   0.4780   13.100   0.3915 0.4240000 0.6178000 
1 1 1   13   15    6 o   19.940   0.2915   20.820   0.3957   19.060   0.4283 1.763000 0.5831000 
1 1 1   13   15    7 f   32.470   0.2281   32.220   0.3441   32.730   0.2996 -0.5148000 0.4562000 
1 1 1   13   15    8 f   14.310   0.2767   14.450   0.3791   14.160   0.4032 0.2921000 0.5534000 
1 1 1   13   15    9 o   18.390   0.2457   18.680   0.3403   18.100   0.3546 0.5751000 0.4915000 
1 1 1   13   15   10 o   23.580   0.2323   23.530   0.3318   23.630   0.3250 -0.1015000 0.4645000 
1 1 1   13   15   11 o   13.560   0.2821   13.870   0.3934   13.240   0.4043 0.6300000 0.5641000 
1 1 1   13   15   12 o   10.110   0.3702   10.340   0.4803   9.8860   0.5636 0.4557000 0.7405000 
1 1 1   13   15   13 o   11.490   0.4194   11.320   0.6227   11.670   0.5619 -0.3559000 0.8388000 
1 1 1   13   15   14 o   15.900   0.2628   16.000   0.3745   15.810   0.3689 0.1979000 0.5257000 
1 1 1   13   15   15 o   5.6310   0.6089   5.3490   0.9071   5.9130   0.8124 -0.5634000 1.218000 
1 1 1   13   15   16 o   4.4590   0.7352   4.1760   1.1000   4.7420   0.9757 -0.5659000 1.470000 
1 1 1   13   15   17 f   3.2640   0.7948   3.5140   1.1480   3.0130   1.0990 0.5011000 1.590000 
1 1 1   13   15   18 o   14.410   0.2740   14.670   0.3862   14.160   0.3889 0.5136000 0.5481000 
1 1 1   13   15   19 o   7.4230   0.4506   7.5670   0.6319   7.2790   0.6424 0.2883000 0.9011000 
1 1 1   13   15   20 o   4.1080   0.7554   4.4050   1.0470   3.8100   1.0890 0.5944000 1.511000 
1 1 1   13   15   21 o   11.930   0.3015   11.950   0.4274   11.900   0.4254 0.5056000E-01 0.6031000 
1 1 1   13   15   22 o   3.3850   0.9295   3.9460   1.4230   2.8240   1.1970 1.122000 1.859000 
1 1 1   13   15   23 o   5.6790   0.7469   4.7710   1.2880   6.5870   0.7557 -1.816000 1.494000 
1 1 1   13   15   24 o   8.8710   0.4136   9.0020   0.5785   8.7400   0.5914 0.2613000 0.8273000 
1 1 1   13   15   25 f   2.4510   0.7482   2.3920   1.0500   2.5100   1.0660 -0.1171000 1.496000 
1 1 1   13   15   26 o   3.6450   0.7690   2.5820   1.1000   4.7080   1.0750 -2.127000 1.538000 
1 1 1   13   15   27 o   2.3230   0.7871   1.9700   0.9747   2.6770   1.2360 -0.7072000 1.574000 
1 1 1   13   15   28 o   3.1370   0.9506   2.7140   1.2280   3.5610   1.4510 -0.8466000 1.901000 
1 1 1   13   17    0 o   21.840   0.2296   22.040   0.3205   21.650   0.3288 0.3973000 0.4592000 
1 1 1   13   17    1 o   15.900   0.2546   15.820   0.3589   15.980   0.3613 -0.1531000 0.5093000 
1 1 1   13   17    2 o   6.9430   0.4172   6.6940   0.6041   7.1920   0.5756 -0.4971000 0.8344000 
1 1 1   13   17    3 o   12.420   0.2793   12.390   0.4228   12.440   0.3649 -0.4902000E-01 0.5585000 
1 1 1   13   17    4 o   17.490   0.2302   17.260   0.3495   17.720   0.2997 -0.4605000 0.4604000 
1 1 1   13   17    5 o   6.0950   0.5224   5.8540   0.8093   6.3350   0.6609 -0.4815000 1.045000 
1 1 1   13   17    6 o   10.140   0.3226   10.540   0.4676   9.7400   0.4446 0.7991000 0.6452000 
1 1 1   13   17    7 o   25.460   0.2203   25.770   0.3326   25.160   0.2890 0.6048000 0.4406000 
1 1 1   13   17    8 o   28.320   0.2388   28.460   0.3402   28.180   0.3351 0.2796000 0.4776000 
1 1 1   13   17    9 o   13.540   0.3079   13.330   0.4106   13.750   0.4589 -0.4185000 0.6158000 
1 1 1   13   17   10 o   13.770   0.3572   13.700   0.5227   13.840   0.4872 -0.1413000 0.7145000 
1 1 1   13   17   11 o   8.7500   0.5101   8.5890   0.7721   8.9100   0.6666 -0.3217000 1.020000 
1 1 1   13   17   12 o   9.2740   0.3885   9.1430   0.5529   9.4050   0.5460 -0.2617000 0.7770000 
1 1 1   13   17   13 o   17.050   0.2575   17.670   0.3571   16.430   0.3710 1.243000 0.5149000 
1 1 1   13   17   14 o   5.5190   0.6143   5.3290   0.9108   5.7100   0.8245 -0.3811000 1.229000 
1 1 1   13   17   15 o   10.110   0.3533   9.6220   0.5274   10.610   0.4702 -0.9857000 0.7066000 
1 1 1   13   17   16 o   7.5870   0.4919   7.0650   0.7899   8.1090   0.5863 -1.044000 0.9837000 
1 1 1   13   17   17 o   10.840   0.3377   11.240   0.4703   10.450   0.4847 0.7935000 0.6754000 
1 1 1   13   17   18 o   6.6340   0.5067   6.4310   0.7580   6.8370   0.6727 -0.4063000 1.013000 
1 1 1   13   17   19 o   3.2530   0.7628   3.9230   1.0940   2.5830   1.0630 1.340000 1.526000 
1 1 1   13   17   20 o   9.1130   0.4121   8.9340   0.6427   9.2920   0.5159 -0.3574000 0.8241000 
1 1 1   13   17   21 f   3.3160   0.9328   3.5040   1.3810   3.1290   1.2550 0.3748000 1.866000 
1 1 1   13   17   22 o   3.8560   0.8024   4.2960   1.1090   3.4170   1.1600 0.8789000 1.605000 
1 1 1   13   17   23 o   5.0370   0.7129   4.5410   1.1100   5.5340   0.8950 -0.9928000 1.426000 
1 1 1   13   17   24 o   4.1230   0.8091   4.2100   1.1480   4.0360   1.1410 0.1744000 1.618000 
1 1 1   13   17   25 o   2.4980   0.7721   2.4580   1.0650   2.5380   1.1180 -0.8006000E-01 1.544000 
1 1 1   13   17   26 o   2.0920   0.7116   2.1570   1.0350   2.0270   0.9764 0.1292000 1.423000 
1 1 1   13   19    0 o   18.480   0.2432   18.630   0.3471   18.340   0.3408 0.2884000 0.4864000 
1 1 1   13   19    1 o   13.320   0.2852   13.590   0.4016   13.040   0.4051 0.5489000 0.5704000 
1 1 1   13   19    2 o   23.320   0.2334   23.280   0.3315   23.350   0.3286 -0.6149000E-01 0.4668000 
1 1 1   13   19    3 o   4.9000   0.7023   4.6320   1.0760   5.1670   0.9022 -0.5348000 1.405000 
1 1 1   13   19    4 o   6.3590   0.5807   5.2790   0.9727   7.4390   0.6346 -2.160000 1.161000 
1 1 1   13   19    5 o   14.100   0.2651   13.640   0.4050   14.570   0.3423 -0.9352000 0.5303000 
1 1 1   13   19    6 o   11.530   0.3010   11.360   0.4578   11.710   0.3908 -0.3455000 0.6019000 
1 1 1   13   19    7 o   15.870   0.3006   16.510   0.4624   15.230   0.3841 1.283000 0.6011000 
1 1 1   13   19    8 o   11.530   0.3732   11.690   0.5857   11.360   0.4627 0.3262000 0.7464000 
1 1 1   13   19    9 o   9.8830   0.3443   10.740   0.4911   9.0220   0.4826 1.720000 0.6886000 
1 1 1   13   19   10 o   3.0010   0.7790   3.2020   1.1420   2.8010   1.0590 0.4006000 1.558000 
1 1 1   13   19   11 o   7.0120   0.4907   7.0110   0.6926   7.0130   0.6953 -0.1642000E-02 0.9814000 
1 1 1   13   19   12 o   19.360   0.2464   19.210   0.3494   19.510   0.3476 -0.2989000 0.4929000 
1 1 1   13   19   13 o   4.0180   0.7969   3.8000   1.1360   4.2350   1.1180 -0.4343000 1.594000 
1 1 1   13   19   14 o   1.8120   0.6138   1.6580   0.8119   1.9660   0.9208 -0.3087000 1.228000 
1 1 1   13   19   15 o   11.010   0.3310   11.220   0.4596   10.790   0.4764 0.4282000 0.6620000 
1 1 1   13   19   16 o   10.630   0.3486   10.280   0.5127   10.990   0.4723 -0.7162000 0.6971000 
1 1 1   13   19   17 f   6.2850   0.5428   6.6510   0.7293   5.9180   0.8042 0.7326000 1.086000 
1 1 1   13   19   18 o   2.7810   0.7897   2.6200   1.1210   2.9430   1.1120 -0.3228000 1.579000 
1 1 1   13   19   19 o   2.9570   0.8936   3.3320   1.3680   2.5820   1.1510 0.7491000 1.787000 
1 1 1   13   19   20 o   2.5320   0.7299   1.8940   0.9025   3.1690   1.1470 -1.275000 1.460000 
1 1 1   13   19   21 o   4.2760   0.7196   2.8940   1.1450   5.6590   0.8715 -2.765000 1.439000 
1 1 1   13   19   22 o   2.6460   0.7592   2.1390   0.9850   3.1530   1.1550 -1.014000 1.518000 
1 1 1   13   19   23 o   3.3380   0.8289   3.2740   1.1750   3.4030   1.1690 -0.1284000 1.658000 
1 1 1   13   19   24 o   3.7610   0.9603   4.3830   1.3740   3.1380   1.3420 1.245000 1.921000 
1 1 1   13   19   25 o   6.6010   0.5755   6.4010   0.8445   6.8010   0.7822 -0.4001000 1.151000 
1 1 1   13   21    0 o   26.920   0.2413   26.630   0.3424   27.220   0.3402 -0.5949000 0.4827000 
1 1 1   13   21    1 o   2.2360   0.7092   2.0890   0.9639   2.3830   1.0400 -0.2945000 1.418000 
1 1 1   13   21    2 o   4.9790   0.7008   4.9870   0.9963   4.9700   0.9859 0.1606000E-01 1.402000 
1 1 1   13   21    3 o   17.850   0.2611   17.320   0.3785   18.370   0.3596 -1.047000 0.5221000 
1 1 1   13   21    4 o   6.1500   0.5374   6.3480   0.8101   5.9530   0.7064 0.3957000 1.075000 
1 1 1   13   21    5 f   8.3270   0.3953   8.4020   0.5977   8.2520   0.5175 0.1507000 0.7906000 
1 1 1   13   21    6 o   11.500   0.3493   11.280   0.5814   11.720   0.3873 -0.4439000 0.6986000 
1 1 1   13   21    7 o   7.3250   0.4394   8.0760   0.6132   6.5730   0.6295 1.503000 0.8787000 
1 1 1   13   21    8 o   2.6010   0.7383   2.4900   1.0550   2.7130   1.0330 -0.2227000 1.477000 
1 1 1   13   21    9 o   6.2870   0.4889   6.7780   0.6960   5.7950   0.6869 0.9829000 0.9778000 
1 1 1   13   21   10 o   13.350   0.3005   13.430   0.4826   13.280   0.3581 0.1425000 0.6010000 
1 1 1   13   21   11 o   3.8800   0.7421   3.5210   1.1400   4.2400   0.9502 -0.7188000 1.484000 
1 1 1   13   21   12 o   2.8270   0.7243   3.6080   1.1200   2.0460   0.9184 1.562000 1.449000 
1 1 1   13   21   13 o   2.0020   0.6524   2.3580   1.0260   1.6450   0.8061 0.7135000 1.305000 
1 1 1   13   21   14 o   4.1600   0.7845   3.7480   1.1330   4.5730   1.0850 -0.8255000 1.569000 
1 1 1   13   21   15 o   6.6370   0.5317   5.8960   0.8236   7.3790   0.6728 -1.483000 1.063000 
1 1 1   13   21   16 o   4.6600   0.7504   3.5250   1.2330   5.7950   0.8563 -2.270000 1.501000 
1 1 1   13   21   17 o   6.2110   0.7768   6.6010   0.9264   5.8210   1.2470 0.7794000 1.554000 
1 1 1   13   21   18 o   3.6580   0.8185   3.5660   1.1600   3.7500   1.1550 -0.1837000 1.637000 
1 1 1   13   21   19 o   4.7310   0.7209   6.0680   0.8299   3.3940   1.1790 2.673000 1.442000 
1 1 1   13   21   20 o   2.3270   0.7329   2.2490   1.0160   2.4040   1.0570 -0.1552000 1.466000 
1 1 1   13   21   21 f   3.4750   0.8174   2.9830   1.1650   3.9680   1.1470 -0.9849000 1.635000 
1 1 1   13   21   22 o   2.8070   0.8845   2.9660   1.2740   2.6490   1.2280 0.3169000 1.769000 
1 1 1   13   21   23 o   2.1590   0.7117   2.0800   0.9674   2.2380   1.0440 -0.1586000 1.423000 
1 1 1   13   23    0 o   3.5550   0.7376   3.7940   1.0220   3.3170   1.0630 0.4765000 1.475000 
1 1 1   13   23    1 o   8.7910   0.3522   9.3610   0.4650   8.2210   0.5291 1.140000 0.7044000 
1 1 1   13   23    2 o   8.6340   0.3550   8.5280   0.5083   8.7410   0.4957 -0.2133000 0.7100000 
1 1 1   13   23    3 o   3.5650   0.6931   2.4500   1.0620   4.6800   0.8907 -2.230000 1.386000 
1 1 1   13   23    4 o   9.7820   0.3484   9.7250   0.5449   9.8380   0.4344 -0.1130000 0.6969000 
1 1 1   13   23    5 o   6.6700   0.4815   7.5920   0.6562   5.7480   0.7048 1.844000 0.9630000 
1 1 1   13   23    6 o   14.130   0.2599   14.390   0.3946   13.860   0.3384 0.5265000 0.5198000 
1 1 1   13   23    7 o   8.1320   0.3954   7.9890   0.6166   8.2740   0.4951 -0.2847000 0.7908000 
1 1 1   13   23    8 o   6.1190   0.5236   5.8710   0.8257   6.3670   0.6442 -0.4956000 1.047000 
1 1 1   13   23    9 o   2.9900   0.7028   2.1720   0.9805   3.8080   1.0070 -1.636000 1.406000 
1 1 1   13   23   10 o   6.9600   0.4585   8.1150   0.6076   5.8060   0.6867 2.309000 0.9170000 
1 1 1   13   23   11 o   3.7330   0.7590   3.6350   1.1400   3.8320   1.0030 -0.1974000 1.518000 
1 1 1   13   23   12 o   4.1540   0.7996   3.9770   1.2140   4.3310   1.0410 -0.3541000 1.599000 
1 1 1   13   23   13 o   4.6290   0.7548   5.3920   1.0160   3.8650   1.1160 1.527000 1.510000 
1 1 1   13   23   14 o   3.0530   0.7839   2.1780   1.0240   3.9280   1.1880 -1.750000 1.568000 
1 1 1   13   23   15 o   2.0540   0.6847   2.4890   1.1110   1.6190   0.8004 0.8698000 1.369000 
1 1 1   13   23   16 o   2.2630   0.7079   2.7310   1.1140   1.7950   0.8734 0.9356000 1.416000 
1 1 1   13   23   17 o   3.0150   0.8218   2.7560   1.1270   3.2730   1.1970 -0.5172000 1.644000 
1 1 1   13   23   18 o   6.1930   0.6176   5.8020   0.9197   6.5840   0.8245 -0.7821000 1.235000 
1 1 1   13   23   19 o   2.8210   0.7894   1.6820   0.8281   3.9590   1.3440 -2.277000 1.579000 
1 1 1   13   23   20 o   2.7540   0.8719   3.0820   1.2970   2.4250   1.1650 0.6566000 1.744000 
1 1 1   13   23   21 o   4.6380   0.7730   3.5450   1.2040   5.7310   0.9701 -2.186000 1.546000 
1 1 1   13   25    0 o   9.0510   0.3410   8.7180   0.4979   9.3840   0.4662 -0.6656000 0.6821000 
1 1 1   13   25    1 o   2.9580   0.7500   2.9640   1.0600   2.9510   1.0620 0.1349000E-01 1.500000 
1 1 1   13   25    2 o   10.440   0.3010   10.580   0.4226   10.300   0.4286 0.2827000 0.6019000 
1 1 1   13   25    3 o   14.960   0.2667   15.060   0.4095   14.870   0.3417 0.1889000 0.5333000 
1 1 1   13   25    4 o   2.4600   0.7289   3.0010   1.1580   1.9190   0.8854 1.082000 1.458000 
1 1 1   13   25    5 o   9.2550   0.3721   9.4150   0.5774   9.0960   0.4696 0.3187000 0.7442000 
1 1 1   13   25    6 o   5.7620   0.6423   5.9450   0.9855   5.5800   0.8239 0.3650000 1.285000 
1 1 1   13   25    7 o   13.810   0.3158   14.080   0.4866   13.540   0.4026 0.5355000 0.6316000 
1 1 1   13   25    8 o   6.5830   0.5782   7.5210   0.8079   5.6460   0.8273 1.876000 1.156000 
1 1 1   13   25    9 o   6.2890   0.5224   5.8100   0.8474   6.7680   0.6110 -0.9582000 1.045000 
1 1 1   13   25   10 o   4.5190   0.8256   4.8030   1.2000   4.2360   1.1340 0.5663000 1.651000 
1 1 1   13   25   11 o   3.3690   0.8587   3.3680   1.2380   3.3710   1.1900 -0.2367000E-02 1.717000 
1 1 1   13   25   12 o   3.0070   0.7044   2.0630   0.9509   3.9510   1.0390 -1.888000 1.409000 
1 1 1   13   25   13 o   3.6870   0.7872   3.9600   1.1250   3.4130   1.1020 0.5472000 1.574000 
1 1 1   13   25   14 o   4.4280   0.7319   4.9440   1.0210   3.9110   1.0490 1.033000 1.464000 
1 1 1   13   25   15 o   4.0980   0.7515   3.3760   1.1730   4.8190   0.9401 -1.444000 1.503000 
1 1 1   13   25   16 o   2.3950   0.7454   2.4350   1.0630   2.3560   1.0460 0.7888000E-01 1.491000 
1 1 1   13   25   17 o   2.4830   0.7999   2.4470   1.1340   2.5190   1.1280 -0.7267000E-01 1.600000 
1 1 1   13   25   18 o   2.0500   0.7004   1.6760   0.8437   2.4240   1.1180 -0.7488000 1.401000 
1 1 1   13   27    0 o   8.3540   0.3713   8.4280   0.5343   8.2790   0.5159 0.1485000 0.7427000 
1 1 1   13   27    1 o   4.8600   0.6343   4.6790   0.9411   5.0400   0.8507 -0.3609000 1.269000 
1 1 1   13   27    2 o   4.0380   0.7250   3.7810   1.0720   4.2950   0.9769 -0.5139000 1.450000 
1 1 1   13   27    3 o   5.6090   0.6678   5.1890   1.0360   6.0300   0.8434 -0.8411000 1.336000 
1 1 1   13   27    4 o   2.9810   0.8387   2.9280   1.2230   3.0340   1.1470 -0.1064000 1.677000 
1 1 1   13   27    5 o   3.2860   0.8474   2.9750   1.2210   3.5960   1.1760 -0.6210000 1.695000 
1 1 1   13   27    6 o   2.1480   0.7111   2.3150   1.0700   1.9810   0.9369 0.3340000 1.422000 
1 1 1   13   27    7 o   3.0120   0.7586   2.5290   1.0780   3.4950   1.0670 -0.9661000 1.517000 
1 1 1   13   27    8 o   4.2050   0.6894   2.8660   1.1330   5.5430   0.7864 -2.676000 1.379000 
1 1 1   13   27    9 o   7.2720   0.4631   7.1750   0.7094   7.3680   0.5956 -0.1925000 0.9262000 
1 1 1   13   27   10 o   3.0230   0.7724   3.6370   1.1640   2.4090   1.0160 1.228000 1.545000 
1 1 1   13   27   11 o   6.5130   0.5257   6.8280   0.7483   6.1970   0.7387 0.6312000 1.051000 
1 1 1   13   27   12 o   3.0360   0.8063   3.4850   1.1870   2.5870   1.0910 0.8983000 1.613000 
1 1 1   13   27   13 o   3.8080   0.8302   3.8750   1.1770   3.7410   1.1710 0.1343000 1.660000 
1 1 1   13   27   14 o   2.0990   0.7038   2.0040   0.9827   2.1930   1.0080 -0.1891000 1.408000 
1 1 1   13   27   15 o   1.7100   0.6027   1.7330   0.8697   1.6870   0.8346 0.4622000E-01 1.205000 
1 1 1   13   29    0 o   2.6090   0.7308   3.0670   1.1040   2.1500   0.9574 0.9178000 1.462000 
1 1 1   13   29    1 o   2.2470   0.6891   2.6150   1.0590   1.8780   0.8819 0.7374000 1.378000 
1 1 1   13   29    2 o   2.1070   0.6701   1.9850   0.9173   2.2280   0.9770 -0.2429000 1.340000 
1 1 1   13   29    3 o   2.2450   0.7110   2.6030   1.1140   1.8870   0.8835 0.7158000 1.422000 
1 1 1   13   29    4 o   3.5030   0.7790   2.9040   1.1680   4.1020   1.0310 -1.198000 1.558000 
1 1 1   13   29    5 o   1.9410   0.6511   1.8830   0.9090   1.9990   0.9325 -0.1162000 1.302000 
1 1 1   13   29    6 o   2.5010   0.7325   1.9680   0.9356   3.0340   1.1270 -1.066000 1.465000 
1 1 1   13   29    7 o   2.5820   0.7519   3.1250   1.1670   2.0390   0.9483 1.086000 1.504000 
1 1 1   13   29    8 f   3.2950   0.7165   4.6440   1.1000   1.9470   0.9185 2.697000 1.433000 
1 1 1   13   29    9 o   2.3720   0.7275   2.5740   1.0870   2.1710   0.9670 0.4028000 1.455000 
1 1 1   13   29   10 o   3.2500   0.8666   2.9340   1.2460   3.5670   1.2050 -0.6332000 1.733000 
1 1 1   14    0    0 o   67.700   0.6744   67.700   0.6744   67.700   0.6744 0.000000 0.000000 
1 1 1   14    0    1 o   83.150   0.8274   83.150   0.8274   83.150   0.8274 0.000000 0.000000 
1 1 1   14    0    3 f   45.200   0.3753   45.200   0.3753   45.200   0.3753 0.000000 0.000000 
1 1 1   14    0    4 o   57.050   0.4698   57.050   0.4698   57.050   0.4698 0.000000 0.000000 
1 1 1   14    0    5 o   4.8860   0.3880   4.8860   0.3880   4.8860   0.3880 0.000000 0.000000 
1 1 1   14    0    6 o   13.200   0.2105   13.200   0.2105   13.200   0.2105 0.000000 0.000000 
1 1 1   14    0    7 o   47.310   0.6959   47.310   0.6959   47.310   0.6959 0.000000 0.000000 
1 1 1   14    0    8 o   65.200   0.5396   65.200   0.5396   65.200   0.5396 0.000000 0.000000 
1 1 1   14    0    9 o   46.280   0.3955   46.280   0.3955   46.280   0.3955 0.000000 0.000000 
1 1 1   14    0   10 o   23.100   0.2508   23.100   0.2508   23.100   0.2508 0.000000 0.000000 
1 1 1   14    0   11 o   23.560   0.2599   23.560   0.2599   23.560   0.2599 0.000000 0.000000 
1 1 1   14    0   12 o   11.860   0.3043   11.860   0.3043   11.860   0.3043 0.000000 0.000000 
1 1 1   14    0   13 o   31.750   0.3122   31.750   0.3122   31.750   0.3122 0.000000 0.000000 
1 1 1   14    0   14 o   12.580   0.3513   12.580   0.3513   12.580   0.3513 0.000000 0.000000 
1 1 1   14    0   15 o   30.210   0.3850   30.210   0.3850   30.210   0.3850 0.000000 0.000000 
1 1 1   14    0   16 o   19.040   0.3177   19.040   0.3177   19.040   0.3177 0.000000 0.000000 
1 1 1   14    0   17 o   10.410   0.4761   10.410   0.4761   10.410   0.4761 0.000000 0.000000 
1 1 1   14    0   18 o   62.800   0.5391   62.800   0.5391   62.800   0.5391 0.000000 0.000000 
1 1 1   14    0   19 o   5.5580   0.9799   5.5580   0.9799   5.5580   0.9799 0.000000 0.000000 
1 1 1   14    0   20 o   2.5790   1.6000   2.5790   1.6000   2.5790   1.6000 0.000000 0.000000 
1 1 1   14    0   21 o   1.4270   0.9811   1.4270   0.9811   1.4270   0.9811 0.000000 0.000000 
1 1 1   14    0   22 o   5.1980   1.0150   5.1980   1.0150   5.1980   1.0150 0.000000 0.000000 
1 1 1   14    0   23 o   3.4590   1.3780   3.4590   1.3780   3.4590   1.3780 0.000000 0.000000 
1 1 1   14    0   24 o   3.0110   1.3860   3.0110   1.3860   3.0110   1.3860 0.000000 0.000000 
1 1 1   14    0   25 o   3.6680   1.3610   3.6680   1.3610   3.6680   1.3610 0.000000 0.000000 
1 1 1   14    0   26 f   1.7910   1.1460   1.7910   1.1460   1.7910   1.1460 0.000000 0.000000 
1 1 1   14    0   27 o   6.4280   0.9459   6.4280   0.9459   6.4280   0.9459 0.000000 0.000000 
1 1 1   14    0   28 o   8.2030   0.6247   8.2030   0.6247   8.2030   0.6247 0.000000 0.000000 
1 1 1   14    0   29 o   1.3160   0.9264   1.3160   0.9264   1.3160   0.9264 0.000000 0.000000 
1 1 1   14    0   30 o   2.3000   1.3190   2.3000   1.3190   2.3000   1.3190 0.000000 0.000000 
1 1 1   14    0   31 o   2.4560   1.5900   2.4560   1.5900   2.4560   1.5900 0.000000 0.000000 
1 1 1   14    0   32 o   1.2020   0.8786   1.2020   0.8786   1.2020   0.8786 0.000000 0.000000 
1 1 1   14    2    0 o   25.040   0.1869   24.670   0.2571   25.410   0.2713 -0.7392000 0.3738000 
1 1 1   14    2    1 o   25.570   0.1747   25.110   0.2651   26.030   0.2277 -0.9206000 0.3494000 
1 1 1   14    2    2 o   27.900   0.2135   27.770   0.3019   28.040   0.3020 -0.2673000 0.4270000 
1 1 1   14    2    3 o   19.450   0.1381   19.390   0.1958   19.520   0.1949 -0.1293000 0.2762000 
1 1 1   14    2    4 o   38.520   0.2313   38.620   0.3279   38.410   0.3263 0.2027000 0.4626000 
1 1 1   14    2    5 o   14.020   0.1413   14.020   0.1983   14.020   0.2012 -0.2687000E-02 0.2825000 
1 1 1   14    2    6 o   36.180   0.2481   36.330   0.3162   36.030   0.3824 0.2992000 0.4962000 
1 1 1   14    2    7 o   30.360   0.2422   30.420   0.3417   30.310   0.3433 0.1060000 0.4844000 
1 1 1   14    2    8 o   35.290   0.2219   35.200   0.3129   35.380   0.3149 -0.1861000 0.4439000 
1 1 1   14    2    9 o   22.180   0.1713   22.060   0.2418   22.300   0.2427 -0.2430000 0.3426000 
1 1 1   14    2   10 o   22.650   0.1665   22.270   0.2161   23.030   0.2533 -0.7664000 0.3329000 
1 1 1   14    2   11 o   13.200   0.1813   13.130   0.2369   13.260   0.2744 -0.1294000 0.3625000 
1 1 1   14    2   12 o   11.120   0.2103   11.450   0.2706   10.800   0.3219 0.6498000 0.4205000 
1 1 1   14    2   13 o   11.390   0.2284   11.540   0.2905   11.230   0.3524 0.3120000 0.4567000 
1 1 1   14    2   14 o   19.570   0.1916   19.810   0.2496   19.330   0.2908 0.4809000 0.3832000 
1 1 1   14    2   15 o   28.920   0.2684   29.030   0.3784   28.820   0.3807 0.2127000 0.5368000 
1 1 1   14    2   16 o   3.3640   0.6455   2.0020   0.8934   4.7260   0.9318 -2.724000 1.291000 
1 1 1   14    2   17 o   14.130   0.2512   13.870   0.3315   14.400   0.3775 -0.5250000 0.5023000 
1 1 1   14    2   18 o   27.470   0.2160   27.220   0.2811   27.730   0.3279 -0.5097000 0.4319000 
1 1 1   14    2   19 o   12.130   0.3871   12.080   0.5421   12.170   0.5527 -0.9496000E-01 0.7742000 
1 1 1   14    2   20 o   2.9310   0.8225   2.5100   1.0720   3.3510   1.2480 -0.8407000 1.645000 
1 1 1   14    2   21 f   11.250   0.2967   11.400   0.3844   11.100   0.4520 0.3000000 0.5934000 
1 1 1   14    2   22 o   14.250   0.2556   14.460   0.3362   14.050   0.3850 0.4111000 0.5112000 
1 1 1   14    2   23 o   7.9800   0.3967   7.5460   0.5555   8.4130   0.5665 -0.8670000 0.7935000 
1 1 1   14    2   24 o   5.3650   0.5887   5.6950   0.7060   5.0360   0.9423 0.6587000 1.177000 
1 1 1   14    2   25 o   2.9970   0.7502   2.4340   1.0010   3.5600   1.1180 -1.125000 1.500000 
1 1 1   14    2   26 o   4.9950   0.6349   5.2980   0.7817   4.6920   1.0010 0.6063000 1.270000 
1 1 1   14    2   27 o   6.3530   0.6643   6.9220   0.8417   5.7850   1.0280 1.136000 1.329000 
1 1 1   14    2   28 o   1.9230   0.6364   1.9500   0.8989   1.8960   0.9010 0.5417000E-01 1.273000 
1 1 1   14    2   29 o   2.6890   0.7751   2.2440   1.0160   3.1350   1.1710 -0.8910000 1.550000 
1 1 1   14    2   30 o   3.9910   0.7147   5.4810   0.9310   2.5000   1.0850 2.981000 1.429000 
1 1 1   14    2   31 o   3.5590   1.0280   4.3400   1.6020   2.7780   1.2880 1.562000 2.056000 
1 1 1   14    4    0 o   33.730   0.2288   33.420   0.3517   34.040   0.2927 -0.6214000 0.4576000 
1 1 1   14    4    1 o   13.840   0.2272   13.840   0.2272  ?   ?       ?      ? 
1 1 1   14    4    2 o   31.090   0.1923   31.060   0.2717   31.130   0.2722 -0.7796000E-01 0.3845000 
1 1 1   14    4    3 f   23.110   0.1583   23.090   0.2235   23.130   0.2243 -0.3672000E-01 0.3167000 
1 1 1   14    4    4 o   15.130   0.1444   15.440   0.2087   14.820   0.1994 0.6217000 0.2887000 
1 1 1   14    4    5 o   53.580   0.3527   53.560   0.4471   53.600   0.5456 -0.3865000E-01 0.7054000 
1 1 1   14    4    6 o   12.000   0.2046   11.780   0.2909   12.210   0.2877 -0.4243000 0.4091000 
1 1 1   14    4    7 o   19.490   0.1612   19.470   0.2269   19.510   0.2291 -0.3627000E-01 0.3225000 
1 1 1   14    4    8 o   11.210   0.1864   11.210   0.2630   11.210   0.2642 0.6149000E-02 0.3728000 
1 1 1   14    4    9 o   25.240   0.1843   24.940   0.2582   25.550   0.2631 -0.6129000 0.3686000 
1 1 1   14    4   10 o   11.290   0.2059   11.060   0.2910   11.510   0.2914 -0.4552000 0.4118000 
1 1 1   14    4   11 o   19.920   0.1838   19.740   0.2588   20.100   0.2612 -0.3589000 0.3677000 
1 1 1   14    4   12 o   28.580   0.2068   28.520   0.2921   28.640   0.2930 -0.1147000 0.4137000 
1 1 1   14    4   13 o   20.060   0.2018   19.990   0.2864   20.140   0.2845 -0.1525000 0.4037000 
1 1 1   14    4   14 o   10.910   0.2978   11.050   0.4428   10.760   0.3982 0.2906000 0.5955000 
1 1 1   14    4   15 o   22.410   0.2749   22.010   0.4030   22.800   0.3738 -0.7931000 0.5497000 
1 1 1   14    4   16 o   22.690   0.2070   22.760   0.2699   22.620   0.3138 0.1343000 0.4139000 
1 1 1   14    4   17 o   22.340   0.2108   22.120   0.2775   22.560   0.3173 -0.4332000 0.4215000 
1 1 1   14    4   18 o   12.290   0.2760   12.390   0.3578   12.190   0.4204 0.2014000 0.5521000 
1 1 1   14    4   19 o   9.5820   0.5540   9.4910   0.6573   9.6720   0.8919 -0.1810000 1.108000 
1 1 1   14    4   20 o   16.570   0.2317   16.430   0.3041   16.700   0.3496 -0.2694000 0.4634000 
1 1 1   14    4   21 o   10.460   0.3116   11.040   0.3907   9.8810   0.4854 1.160000 0.6231000 
1 1 1   14    4   22 o   2.4800   0.7188   2.5680   1.0090   2.3910   1.0240 0.1763000 1.438000 
1 1 1   14    4   23 o   9.5970   0.3356   9.6180   0.4413   9.5770   0.5058 0.4066000E-01 0.6713000 
1 1 1   14    4   24 o   4.4330   0.6842   4.4450   0.9011   4.4210   1.0300 0.2497000E-01 1.368000 
1 1 1   14    4   25 o   4.2040   0.7193   4.3180   0.9467   4.0910   1.0830 0.2269000 1.439000 
1 1 1   14    4   26 o   6.4190   0.5035   6.8730   0.6001   5.9660   0.8087 0.9074000 1.007000 
1 1 1   14    4   27 o   3.4790   0.8833   3.2700   1.2300   3.6870   1.2680 -0.4173000 1.767000 
1 1 1   14    4   28 o   3.1950   0.7859   3.3630   1.0880   3.0270   1.1340 0.3353000 1.572000 
1 1 1   14    4   29 o   2.6380   0.7618   2.5090   1.0360   2.7660   1.1180 -0.2571000 1.524000 
1 1 1   14    4   30 o   1.8520   0.6263   1.6630   0.8108   2.0410   0.9549 -0.3784000 1.253000 
1 1 1   14    4   31 o   2.4250   0.8119   1.9190   0.9476   2.9310   1.3190 -1.012000 1.624000 
1 1 1   14    6    0 o   36.650   0.2093   36.690   0.3158   36.620   0.2749 0.6833000E-01 0.4187000 
1 1 1   14    6    1 o   40.070   0.2267   40.230   0.3433   39.900   0.2963 0.3312000 0.4535000 
1 1 1   14    6    2 o   24.320   0.1839   24.270   0.2364   24.360   0.2817 -0.8603000E-01 0.3678000 
1 1 1   14    6    3 o   50.260   0.3320   50.870   0.4273   49.660   0.5082 1.211000 0.6640000 
1 1 1   14    6    4 o   27.630   0.2050   27.260   0.2599   28.000   0.3171 -0.7383000 0.4100000 
1 1 1   14    6    5 o   13.180   0.2111   13.350   0.2913   13.020   0.3056 0.3310000 0.4222000 
1 1 1   14    6    6 o   3.4350   0.4979   3.1500   0.7477   3.7210   0.6575 -0.5708000 0.9957000 
1 1 1   14    6    7 o   9.0600   0.2184   8.8270   0.3148   9.2920   0.3027 -0.4653000 0.4367000 
1 1 1   14    6    8 o   14.690   0.1782   14.720   0.2549   14.650   0.2492 0.7081000E-01 0.3565000 
1 1 1   14    6    9 o   21.320   0.2049   21.500   0.3223   21.140   0.2531 0.3615000 0.4098000 
1 1 1   14    6   10 o   21.760   0.1853   21.530   0.2611   21.990   0.2628 -0.4592000 0.3705000 
1 1 1   14    6   11 o   5.1340   0.4733   4.4440   0.7614   5.8230   0.5623 -1.379000 0.9465000 
1 1 1   14    6   12 o   22.700   0.2009   22.350   0.2846   23.040   0.2837 -0.6831000 0.4018000 
1 1 1   14    6   13 o   40.500   0.2917   40.530   0.4495   40.480   0.3719 0.4953000E-01 0.5834000 
1 1 1   14    6   14 o   27.210   0.3215   26.700   0.5128   27.720   0.3881 -1.016000 0.6431000 
1 1 1   14    6   15 o   34.650   0.2455   34.610   0.3479   34.690   0.3464 -0.8332000E-01 0.4909000 
1 1 1   14    6   16 o   30.340   0.2342   30.520   0.3338   30.160   0.3287 0.3576000 0.4684000 
1 1 1   14    6   17 o   19.130   0.2325   19.070   0.3277   19.190   0.3299 -0.1242000 0.4650000 
1 1 1   14    6   18 o   16.640   0.2707   16.410   0.3513   16.880   0.4120 -0.4760000 0.5414000 
1 1 1   14    6   19 o   12.140   0.4371   11.790   0.5545   12.490   0.6758 -0.7014000 0.8741000 
1 1 1   14    6   20 o   7.5480   0.4078   7.7320   0.5215   7.3650   0.6270 0.3668000 0.8156000 
1 1 1   14    6   21 o   4.4940   0.6806   4.8040   0.8501   4.1830   1.0630 0.6205000 1.361000 
1 1 1   14    6   22 o   2.1050   0.6658   2.1840   0.9488   2.0260   0.9343 0.1587000 1.332000 
1 1 1   14    6   23 o   5.5260   0.5708   5.9510   0.6774   5.1020   0.9190 0.8492000 1.142000 
1 1 1   14    6   24 o   4.2070   0.6992   4.7470   0.8422   3.6680   1.1160 1.079000 1.398000 
1 1 1   14    6   25 o   9.5580   0.3439   9.4610   0.4608   9.6550   0.5105 -0.1943000 0.6877000 
1 1 1   14    6   26 o   3.8370   0.8255   4.9250   1.1670   2.7490   1.1680 2.175000 1.651000 
1 1 1   14    6   27 o   3.9110   0.7447   3.1140   1.0820   4.7080   1.0240 -1.594000 1.489000 
1 1 1   14    6   28 o   3.0340   0.7815   2.5010   1.0380   3.5680   1.1690 -1.067000 1.563000 
1 1 1   14    6   29 o   2.3420   0.7047   1.6880   0.8192   2.9950   1.1470 -1.307000 1.409000 
1 1 1   14    6   30 o   2.4210   0.8102   2.1980   1.0520   2.6440   1.2330 -0.4463000 1.620000 
1 1 1   14    6   31 o   1.7680   0.6035   1.7250   0.8321   1.8120   0.8742 -0.8622000E-01 1.207000 
1 1 1   14    8    0 o   11.270   0.1561   10.970   0.2250   11.570   0.2165 -0.5953000 0.3122000 
1 1 1   14    8    1 o   7.5550   0.2143   7.5830   0.3186   7.5270   0.2866 0.5583000E-01 0.4285000 
1 1 1   14    8    2 o   33.910   0.2436   33.810   0.3759   34.000   0.3100 -0.1960000 0.4872000 
1 1 1   14    8    3 o   14.930   0.2972  ?   ?    14.930   0.2972      ?      ? 
1 1 1   14    8    4 o   36.410   0.2305   36.320   0.3249   36.510   0.3270 -0.1983000 0.4610000 
1 1 1   14    8    5 o   23.370   0.1786   23.490   0.2527   23.250   0.2524 0.2354000 0.3572000 
1 1 1   14    8    6 o   23.940   0.1838   24.050   0.2587   23.830   0.2612 0.2264000 0.3676000 
1 1 1   14    8    7 o   34.560   0.2270   34.420   0.3190   34.690   0.3229 -0.2706000 0.4539000 
1 1 1   14    8    8 o   10.810   0.2225   10.670   0.3193   10.940   0.3100 -0.2693000 0.4450000 
1 1 1   14    8    9 o   37.880   0.2454   38.090   0.3494   37.670   0.3447 0.4260000 0.4908000 
1 1 1   14    8   10 o   18.020   0.1991   17.920   0.2847   18.110   0.2783 -0.1886000 0.3982000 
1 1 1   14    8   11 o   36.220   0.2435   36.180   0.3468   36.270   0.3418 -0.9000000E-01 0.4870000 
1 1 1   14    8   12 o   44.680   0.3145   44.460   0.4838   44.910   0.4020 -0.4506000 0.6290000 
1 1 1   14    8   13 o   40.020   0.3309   39.800   0.4735   40.250   0.4623 -0.4481000 0.6618000 
1 1 1   14    8   14 o   14.910   0.2513   14.280   0.3646   15.530   0.3458 -1.252000 0.5025000 
1 1 1   14    8   15 o   15.500   0.2534   15.410   0.3591   15.590   0.3578 -0.1812000 0.5069000 
1 1 1   14    8   16 o   2.6990   0.7694   2.8060   1.1080   2.5930   1.0680 0.2131000 1.539000 
1 1 1   14    8   17 o   5.5080   0.6126   5.5330   0.8494   5.4820   0.8829 0.5093000E-01 1.225000 
1 1 1   14    8   18 o   11.990   0.4403   12.070   0.5391   11.900   0.6963 0.1714000 0.8806000 
1 1 1   14    8   19 o   12.120   0.2981   11.910   0.4281   12.330   0.4150 -0.4146000 0.5963000 
1 1 1   14    8   20 o   13.210   0.2826   12.860   0.4078   13.550   0.3914 -0.6940000 0.5653000 
1 1 1   14    8   21 o   2.5470   0.6875   1.6180   0.7940   3.4760   1.1230 -1.857000 1.375000 
1 1 1   14    8   22 f   3.1540   0.7695   2.6730   1.0720   3.6340   1.1040 -0.9611000 1.539000 
1 1 1   14    8   23 o   8.3110   0.4062   8.0250   0.5892   8.5960   0.5593 -0.5713000 0.8124000 
1 1 1   14    8   24 o   6.1840   0.4998   5.9750   0.6869   6.3930   0.7261 -0.4187000 0.9996000 
1 1 1   14    8   25 o   4.2800   0.7015   3.4160   1.0560   5.1450   0.9235 -1.730000 1.403000 
1 1 1   14    8   26 o   2.3330   0.7498   2.6040   1.1290   2.0620   0.9865 0.5426000 1.500000 
1 1 1   14    8   27 o   2.7160   0.7648   2.5840   1.0400   2.8480   1.1210 -0.2637000 1.530000 
1 1 1   14    8   28 o   3.6730   0.7028   4.8610   0.9122   2.4850   1.0690 2.376000 1.406000 
1 1 1   14    8   29 o   3.7080   0.7243   2.4350   1.0350   4.9810   1.0140 -2.547000 1.449000 
1 1 1   14    8   30 f   2.2980   0.7749   2.3160   1.0910   2.2800   1.1010 0.3570000E-01 1.550000 
1 1 1   14   10    0 o   12.840   0.1782   12.670   0.2363   13.020   0.2667 -0.3439000 0.3563000 
1 1 1   14   10    1 o   36.240   0.2019   36.510   0.2871   35.960   0.2840 0.5440000 0.4038000 
1 1 1   14   10    2 o   28.740   0.1872   28.870   0.2814   28.620   0.2470 0.2497000 0.3745000 
1 1 1   14   10    3 o   45.150   0.2599   45.110   0.3921   45.190   0.3413 -0.8492000E-01 0.5198000 
1 1 1   14   10    4 f   12.970   0.1987   12.810   0.2751   13.130   0.2869 -0.3191000 0.3975000 
1 1 1   14   10    5 f   21.000   0.1844   21.150   0.2602   20.840   0.2614 0.3156000 0.3688000 
1 1 1   14   10    6 o   13.430   0.2035   13.620   0.2887   13.240   0.2870 0.3772000 0.4070000 
1 1 1   14   10    7 o   25.330   0.1997   25.740   0.2850   24.910   0.2798 0.8299000 0.3994000 
1 1 1   14   10    8 o   29.740   0.2462   29.580   0.3066   29.910   0.3854 -0.3257000 0.4925000 
1 1 1   14   10    9 o   37.580   0.2765   37.990   0.4275   37.160   0.3507 0.8352000 0.5529000 
1 1 1   14   10   10 o   32.540   0.2547   32.580   0.3912   32.490   0.3263 0.8438000E-01 0.5094000 
1 1 1   14   10   11 o   23.760   0.2297   24.080   0.3509   23.430   0.2965 0.6561000 0.4594000 
1 1 1   14   10   12 o   35.660   0.3090   36.100   0.4433   35.220   0.4306 0.8819000 0.6180000 
1 1 1   14   10   13 o   9.1540   0.3615   9.1530   0.5223   9.1540   0.5000 -0.1579000E-02 0.7231000 
1 1 1   14   10   14 o   23.020   0.2285   22.650   0.3287   23.390   0.3176 -0.7413000 0.4571000 
1 1 1   14   10   15 o   14.170   0.2717   14.050   0.3908   14.290   0.3775 -0.2356000 0.5433000 
1 1 1   14   10   16 o   13.670   0.3018   13.640   0.4015   13.710   0.4508 -0.7572000E-01 0.6037000 
1 1 1   14   10   17 o   19.890   0.3458   19.750   0.4414   20.040   0.5325 -0.2899000 0.6917000 
1 1 1   14   10   18 o   8.2580   0.4585   8.0190   0.6275   8.4980   0.6688 -0.4783000 0.9170000 
1 1 1   14   10   19 o   5.9130   0.5720   5.4930   0.8776   6.3340   0.7338 -0.8412000 1.144000 
1 1 1   14   10   20 o   4.9000   0.6774   4.6530   1.0080   5.1460   0.9054 -0.4923000 1.355000 
1 1 1   14   10   21 o   9.0680   0.3711   8.9380   0.5324   9.1980   0.5171 -0.2592000 0.7421000 
1 1 1   14   10   22 o   5.0010   0.6478   5.3000   0.8772   4.7030   0.9535 0.5963000 1.296000 
1 1 1   14   10   23 o   2.7170   0.7469   2.2450   0.9954   3.1890   1.1140 -0.9439000 1.494000 
1 1 1   14   10   24 o   2.7290   0.7226   2.0130   0.9323   3.4450   1.1040 -1.433000 1.445000 
1 1 1   14   10   25 o   6.5680   0.7751   7.1170   1.1510   6.0190   1.0380 1.098000 1.550000 
1 1 1   14   10   26 o   5.5400   0.6346   5.7980   0.8711   5.2810   0.9230 0.5177000 1.269000 
1 1 1   14   10   27 o   1.8300   0.6162   1.8910   0.8835   1.7690   0.8593 0.1223000 1.232000 
1 1 1   14   10   28 o   2.0920   0.6762   2.1680   0.9709   2.0160   0.9415 0.1519000 1.352000 
1 1 1   14   10   29 o   2.8920   0.8781   3.3510   1.3190   2.4330   1.1600 0.9175000 1.756000 
1 1 1   14   10   30 o   2.5760   0.7323   1.7550   0.8481   3.3970   1.1940 -1.642000 1.465000 
1 1 1   14   12    0 o   32.980   0.1951   32.910   0.2749   33.050   0.2768 -0.1339000 0.3901000 
1 1 1   14   12    1 o   35.300   0.2034   35.360   0.2876   35.240   0.2877 0.1253000 0.4068000 
1 1 1   14   12    2 o   39.760   0.2395   40.080   0.3629   39.440   0.3125 0.6417000 0.4789000 
1 1 1   14   12    3 f   21.160   0.1814   21.050   0.2712   21.260   0.2409 -0.2080000 0.3627000 
1 1 1   14   12    4 o   16.860   0.1896   16.950   0.2838   16.760   0.2516 0.1859000 0.3793000 
1 1 1   14   12    5 o   34.620   0.2362   34.910   0.3361   34.330   0.3320 0.5850000 0.4724000 
1 1 1   14   12    6 o   23.300   0.2052   23.300   0.2908   23.310   0.2897 -0.8575000E-02 0.4105000 
1 1 1   14   12    7 o   21.360   0.2048   21.090   0.2931   21.640   0.2860 -0.5468000 0.4095000 
1 1 1   14   12    8 o   16.410   0.2345   16.560   0.3554   16.260   0.3059 0.2990000 0.4689000 
1 1 1   14   12    9 o   14.580   0.2588   14.600   0.3933   14.550   0.3364 0.4188000E-01 0.5175000 
1 1 1   14   12   10 o   8.6500   0.4914   8.4270   0.7062   8.8730   0.6834 -0.4462000 0.9827000 
1 1 1   14   12   11 o   21.400   0.2514   21.050   0.3282   21.740   0.3808 -0.6933000 0.5027000 
1 1 1   14   12   12 o   29.640   0.2363   29.610   0.3352   29.660   0.3332 -0.4165000E-01 0.4726000 
1 1 1   14   12   13 f   33.290   0.2472   33.280   0.3520   33.290   0.3472 -0.1020000E-01 0.4944000 
1 1 1   14   12   14 o   35.000   0.2529   34.660   0.3571   35.330   0.3582 -0.6679000 0.5058000 
1 1 1   14   12   15 o   8.5010   0.4253   8.7830   0.5437   8.2190   0.6542 0.5637000 0.8506000 
1 1 1   14   12   16 o   20.010   0.4070  ?   ?    20.010   0.4070      ?      ? 
1 1 1   14   12   17 o   2.2610   0.6892   2.7980   1.0980   1.7240   0.8330 1.074000 1.378000 
1 1 1   14   12   18 o   13.830   0.2873   13.420   0.4294   14.230   0.3817 -0.8078000 0.5745000 
1 1 1   14   12   19 o   8.6660   0.3986   9.2840   0.5390   8.0490   0.5875 1.235000 0.7973000 
1 1 1   14   12   20 o   7.1140   0.4646   6.8610   0.6925   7.3670   0.6196 -0.5054000 0.9292000 
1 1 1   14   12   21 o   3.7040   0.7792   3.3590   1.1520   4.0500   1.0490 -0.6912000 1.558000 
1 1 1   14   12   22 o   10.020   0.3539   10.060   0.5139   9.9740   0.4868 0.8344000E-01 0.7079000 
1 1 1   14   12   23 o   2.2080   0.6636   2.9160   1.0990   1.5010   0.7433 1.415000 1.327000 
1 1 1   14   12   24 o   3.7320   0.9417   3.5860   1.3840   3.8770   1.2780 -0.2904000 1.883000 
1 1 1   14   12   25 o   2.5660   0.7580   2.5420   1.0690   2.5900   1.0750 -0.4734000E-01 1.516000 
1 1 1   14   12   26 o   2.3380   0.7267   2.4440   1.0490   2.2310   1.0060 0.2134000 1.453000 
1 1 1   14   12   27 o   3.4570   0.8321   3.5320   1.1860   3.3810   1.1670 0.1517000 1.664000 
1 1 1   14   12   28 o   2.8140   0.8869   2.8010   1.2220   2.8270   1.2860 -0.2564000E-01 1.774000 
1 1 1   14   12   29 o   3.9220   0.8427   3.5840   1.2030   4.2610   1.1810 -0.6765000 1.685000 
1 1 1   14   14    0 o   19.930   0.1802   20.010   0.2548   19.850   0.2547 0.1623000 0.3603000 
1 1 1   14   14    1 o   22.250   0.2289   20.990   0.3443   23.520   0.3018 -2.534000 0.4578000 
1 1 1   14   14    2 o   57.380   0.3261   57.020   0.4902   57.740   0.4303 -0.7241000 0.6522000 
1 1 1   14   14    3 o   47.900   0.3345   48.080   0.5182   47.710   0.4230 0.3678000 0.6689000 
1 1 1   14   14    4 o   42.060   0.3027   41.960   0.4662   42.170   0.3864 -0.2177000 0.6055000 
1 1 1   14   14    5 o   39.450   0.2898   39.640   0.4465   39.260   0.3696 0.3814000 0.5796000 
1 1 1   14   14    6 o   30.150   0.2162   30.110   0.3269   30.190   0.2830 -0.8178000E-01 0.4323000 
1 1 1   14   14    7 o   15.600   0.3163   15.700   0.4425   15.500   0.4521 0.2036000 0.6326000 
1 1 1   14   14    8 o   10.920   0.4178   10.390   0.5885   11.460   0.5932 -1.069000 0.8355000 
1 1 1   14   14    9 o   24.200   0.2288   24.330   0.3249   24.080   0.3223 0.2527000 0.4576000 
1 1 1   14   14   10 f   12.270   0.3052   12.710   0.4197   11.840   0.4433 0.8743000 0.6105000 
1 1 1   14   14   11 o   3.6510   0.8028   3.5800   1.1360   3.7210   1.1350 -0.1406000 1.606000 
1 1 1   14   14   12 o   7.0630   0.4888   7.4300   0.6510   6.6950   0.7293 0.7346000 0.9776000 
1 1 1   14   14   13 o   15.860   0.2801   16.200   0.3695   15.530   0.4212 0.6750000 0.5603000 
1 1 1   14   14   14 o   13.080   0.3751   12.700   0.5699   13.460   0.4879 -0.7658000 0.7502000 
1 1 1   14   14   15 o   7.6520   0.4457   7.7710   0.6322   7.5340   0.6285 0.2371000 0.8914000 
1 1 1   14   14   16 o   3.5770   0.7211   2.5130   1.0590   4.6420   0.9788 -2.128000 1.442000 
1 1 1   14   14   17 o   3.7510   0.7631   3.1850   1.1330   4.3170   1.0220 -1.132000 1.526000 
1 1 1   14   14   18 o   2.6270   0.7550   2.6480   1.0790   2.6060   1.0570 0.4182000E-01 1.510000 
1 1 1   14   14   19 o   15.700   0.2606   15.990   0.3732   15.420   0.3639 0.5734000 0.5213000 
1 1 1   14   14   20 o   2.0720   0.6699   2.0390   0.9423   2.1050   0.9523 -0.6559000E-01 1.340000 
1 1 1   14   14   21 o   3.4120   0.8347   3.6320   1.2510   3.1920   1.1060 0.4401000 1.669000 
1 1 1   14   14   22 o   4.8880   0.6692   4.8200   0.9947   4.9550   0.8955 -0.1357000 1.338000 
1 1 1   14   14   23 o   3.3190   0.9291   3.3330   1.3600   3.3050   1.2660 0.2844000E-01 1.858000 
1 1 1   14   14   24 o   11.340   0.3434   11.190   0.4976   11.500   0.4735 -0.3097000 0.6869000 
1 1 1   14   14   25 o   2.8610   0.8041   2.7150   1.1200   3.0070   1.1540 -0.2917000 1.608000 
1 1 1   14   14   26 o   2.9770   0.7370   1.9210   0.9152   4.0330   1.1550 -2.112000 1.474000 
1 1 1   14   14   27 o   3.5270   0.9826   3.9400   1.4260   3.1140   1.3520 0.8268000 1.965000 
1 1 1   14   14   28 o   2.4990   0.7645   2.4560   1.0780   2.5420   1.0840 -0.8603000E-01 1.529000 
1 1 1   14   16    0 f   20.710   0.1902   20.780   0.2686   20.640   0.2693 0.1431000 0.3803000 
1 1 1   14   16    1 o   21.160   0.1919   21.400   0.2707   20.910   0.2720 0.4826000 0.3837000 
1 1 1   14   16    2 o   11.870   0.2940   11.580   0.4149   12.160   0.4165 -0.5786000 0.5879000 
1 1 1   14   16    3 o   18.880   0.2874   18.340   0.4053   19.430   0.4077 -1.093000 0.5749000 
1 1 1   14   16    4 o   41.320   0.3957  ?   ?    41.320   0.3957      ?      ? 
1 1 1   14   16    5 o   33.340   0.2637   33.850   0.4333   32.830   0.3006 1.014000 0.5274000 
1 1 1   14   16    6 o   15.370   0.2646   16.110   0.3595   14.620   0.3884 1.485000 0.5292000 
1 1 1   14   16    7 o   20.080   0.2211   20.350   0.3337   19.810   0.2902 0.5338000 0.4423000 
1 1 1   14   16    8 o   18.340   0.2421   18.450   0.3384   18.240   0.3464 0.2120000 0.4842000 
1 1 1   14   16    9 o   6.1720   0.5767   6.4360   0.7842   5.9080   0.8458 0.5273000 1.153000 
1 1 1   14   16   10 o   4.9860   0.7440   5.0150   0.9766   4.9570   1.1230 0.5808000E-01 1.488000 
1 1 1   14   16   11 o   11.740   0.3362   11.720   0.4555   11.760   0.4945 -0.3981000E-01 0.6723000 
1 1 1   14   16   12 o   15.630   0.3409   15.310   0.4974   15.950   0.4662 -0.6440000 0.6817000 
1 1 1   14   16   13 o   10.830   0.3373   10.730   0.4783   10.930   0.4756 -0.2027000 0.6745000 
1 1 1   14   16   14 o   9.9290   0.3586   9.4470   0.5359   10.410   0.4765 -0.9635000 0.7171000 
1 1 1   14   16   15 o   4.1310   0.7766   4.2410   1.1080   4.0210   1.0880 0.2200000 1.553000 
1 1 1   14   16   16 o   7.6430   0.4435   7.4440   0.6572   7.8410   0.5959 -0.3972000 0.8871000 
1 1 1   14   16   17 o   3.2600   0.7827   2.8920   1.1110   3.6280   1.1020 -0.7364000 1.565000 
1 1 1   14   16   18 o   6.5280   0.5136   6.4970   0.7445   6.5580   0.7077 -0.6042000E-01 1.027000 
1 1 1   14   16   19 o   5.5640   0.6071   5.8670   0.8254   5.2620   0.8905 0.6053000 1.214000 
1 1 1   14   16   20 o   2.5740   0.7442   2.4590   1.0340   2.6880   1.0700 -0.2291000 1.488000 
1 1 1   14   16   21 o   3.3630   0.8343   3.6360   1.2220   3.0910   1.1360 0.5450000 1.669000 
1 1 1   14   16   22 o   3.1700   0.8874   3.1140   1.2470   3.2260   1.2630 -0.1126000 1.775000 
1 1 1   14   16   23 o   3.8500   0.8210   3.7010   1.1770   3.9990   1.1450 -0.2974000 1.642000 
1 1 1   14   16   24 o   3.2790   0.7999   3.8910   1.1580   2.6670   1.1040 1.224000 1.600000 
1 1 1   14   16   25 o   2.5610   0.7299   1.7760   0.8615   3.3470   1.1780 -1.570000 1.460000 
1 1 1   14   16   26 o   2.3350   0.7815   2.0600   0.9985   2.6110   1.2030 -0.5511000 1.563000 
1 1 1   14   16   27 o   2.2680   0.7132   2.7770   1.1390   1.7600   0.8581 1.017000 1.426000 
1 1 1   14   18    0 o   8.8480   0.3367   9.4380   0.4493   8.2590   0.5016 1.179000 0.6734000 
1 1 1   14   18    1 o   23.410   0.2006   23.210   0.2846   23.610   0.2829 -0.3981000 0.4013000 
1 1 1   14   18    2 o   30.460   0.2100   30.470   0.2972   30.450   0.2968 0.1911000E-01 0.4200000 
1 1 1   14   18    3 o   11.020   0.3140   11.140   0.4818   10.900   0.4027 0.2449000 0.6279000 
1 1 1   14   18    4 o   13.360   0.2728   13.820   0.4118   12.900   0.3578 0.9198000 0.5456000 
1 1 1   14   18    5 o   21.840   0.2324   22.020   0.3298   21.650   0.3276 0.3671000 0.4649000 
1 1 1   14   18    6 o   13.200   0.2907   13.740   0.4027   12.650   0.4192 1.096000 0.5813000 
1 1 1   14   18    7 o   22.570   0.2329   22.660   0.3326   22.470   0.3260 0.1821000 0.4657000 
1 1 1   14   18    8 o   7.3500   0.4459   6.9010   0.7097   7.8000   0.5401 -0.8990000 0.8918000 
1 1 1   14   18    9 o   15.120   0.3122   15.420   0.4906   14.820   0.3864 0.5976000 0.6245000 
1 1 1   14   18   10 o   9.2720   0.4313   9.5560   0.5455   8.9870   0.6681 0.5695000 0.8625000 
1 1 1   14   18   11 f   3.0990   0.8069   2.8280   1.1200   3.3700   1.1620 -0.5422000 1.614000 
1 1 1   14   18   12 o   8.9130   0.4061   8.7900   0.5848   9.0360   0.5637 -0.2459000 0.8123000 
1 1 1   14   18   13 o   12.150   0.3114   11.550   0.4492   12.740   0.4315 -1.192000 0.6228000 
1 1 1   14   18   14 o   4.5920   0.7244   5.2500   0.9321   3.9340   1.1090 1.316000 1.449000 
1 1 1   14   18   15 o   6.0330   0.5566   6.2200   0.7661   5.8460   0.8077 0.3744000 1.113000 
1 1 1   14   18   16 o   3.2000   0.7748   2.6100   1.0780   3.7890   1.1130 -1.179000 1.550000 
1 1 1   14   18   17 o   6.0080   0.5857   5.7870   0.8848   6.2300   0.7678 -0.4427000 1.171000 
1 1 1   14   18   18 f   9.7830   0.3648   10.710   0.4797   8.8590   0.5496 1.849000 0.7295000 
1 1 1   14   18   19 o   4.0010   0.7747   5.1050   1.0910   2.8980   1.1000 2.207000 1.549000 
1 1 1   14   18   20 o   3.0900   0.8720   2.6200   1.1570   3.5600   1.3050 -0.9399000 1.744000 
1 1 1   14   18   21 o   5.3040   0.6616   5.1320   0.9813   5.4770   0.8877 -0.3455000 1.323000 
1 1 1   14   18   22 o   2.4440   0.7448   2.6280   1.0920   2.2590   1.0130 0.3696000 1.490000 
1 1 1   14   18   23 o   2.3580   0.7342   2.6190   1.1030   2.0960   0.9694 0.5238000 1.468000 
1 1 1   14   18   24 o   1.8160   0.6272   1.6840   0.8290   1.9480   0.9413 -0.2633000 1.254000 
1 1 1   14   18   25 o   2.0500   0.7092   2.1850   1.0480   1.9150   0.9555 0.2702000 1.418000 
1 1 1   14   20    0 o   25.710   0.2063   25.470   0.2912   25.950   0.2922 -0.4806000 0.4125000 
1 1 1   14   20    1 o   5.5670   0.5525   6.5430   0.6367   4.5900   0.9032 1.954000 1.105000 
1 1 1   14   20    2 o   18.000   0.2152   18.270   0.3046   17.730   0.3041 0.5421000 0.4304000 
1 1 1   14   20    3 o   19.800   0.2669   20.060   0.4467   19.550   0.2925 0.5182000 0.5339000 
1 1 1   14   20    4 o   14.240   0.3312   14.340   0.5320   14.140   0.3945 0.2012000 0.6623000 
1 1 1   14   20    5 o   16.700   0.2933   16.450   0.4551   16.940   0.3703 -0.4934000 0.5867000 
1 1 1   14   20    6 o   6.7250   0.6181   5.8980   1.0520   7.5520   0.6493 -1.654000 1.236000 
1 1 1   14   20    7 o   8.6970   0.3756   8.5710   0.5776   8.8220   0.4803 -0.2510000 0.7512000 
1 1 1   14   20    8 o   9.5130   0.3486   9.3950   0.5387   9.6310   0.4427 -0.2364000 0.6972000 
1 1 1   14   20    9 o   3.6450   0.7735   4.1200   1.1120   3.1700   1.0750 0.9506000 1.547000 
1 1 1   14   20   10 o   7.9820   0.4069   8.1230   0.6130   7.8410   0.5351 0.2822000 0.8137000 
1 1 1   14   20   11 o   12.290   0.2924   12.820   0.4367   11.760   0.3891 1.059000 0.5849000 
1 1 1   14   20   12 o   5.7030   0.5869   5.4120   0.8753   5.9940   0.7821 -0.5824000 1.174000 
1 1 1   14   20   13 o   9.0530   0.3872   8.4930   0.5763   9.6140   0.5171 -1.121000 0.7743000 
1 1 1   14   20   14 o   8.3640   0.4222   7.5980   0.6275   9.1300   0.5650 -1.532000 0.8444000 
1 1 1   14   20   15 o   2.3550   0.7213   2.7650   1.1110   1.9450   0.9197 0.8205000 1.443000 
1 1 1   14   20   16 o   5.3080   0.6429   5.6680   0.8724   4.9490   0.9445 0.7192000 1.286000 
1 1 1   14   20   17 o   6.8520   0.5338   6.7920   0.8089   6.9120   0.6966 -0.1203000 1.068000 
1 1 1   14   20   18 o   4.7060   0.9027   4.3700   1.3050   5.0420   1.2470 -0.6716000 1.805000 
1 1 1   14   20   19 o   2.2020   0.7045   2.1340   0.9786   2.2710   1.0140 -0.1373000 1.409000 
1 1 1   14   20   20 o   7.7490   0.4798   8.3610   0.6428   7.1380   0.7125 1.224000 0.9596000 
1 1 1   14   20   21 o   3.1370   0.8096   2.8080   1.1310   3.4670   1.1590 -0.6593000 1.619000 
1 1 1   14   20   22 o   2.9070   0.8069   2.7310   1.1190   3.0820   1.1630 -0.3505000 1.614000 
1 1 1   14   20   23 o   2.2320   0.7551   2.4680   1.1420   1.9960   0.9884 0.4717000 1.510000 
1 1 1   14   20   24 o   2.4820   0.7642   2.5240   1.0990   2.4400   1.0630 0.8432000E-01 1.528000 
1 1 1   14   22    0 o   5.2700   0.5621   5.0880   0.8205   5.4520   0.7685 -0.3635000 1.124000 
1 1 1   14   22    1 o   5.0800   0.5989   4.5040   0.9353   5.6560   0.7482 -1.152000 1.198000 
1 1 1   14   22    2 o   7.5580   0.3982   7.8880   0.5364   7.2280   0.5887 0.6600000 0.7965000 
1 1 1   14   22    3 o   8.8900   0.3811   9.0890   0.5756   8.6900   0.4996 0.3987000 0.7622000 
1 1 1   14   22    4 o   8.7700   0.3908   8.2640   0.6287   9.2750   0.4644 -1.011000 0.7816000 
1 1 1   14   22    5 o   10.400   0.3270   10.420   0.4967   10.390   0.4256 0.2800000E-01 0.6541000 
1 1 1   14   22    6 o   6.6100   0.4774   6.7780   0.7139   6.4420   0.6339 0.3359000 0.9547000 
1 1 1   14   22    7 o   4.1020   0.7325   4.0090   1.1110   4.1950   0.9543 -0.1860000 1.465000 
1 1 1   14   22    8 o   2.4320   0.7084   3.0430   1.1370   1.8220   0.8458 1.221000 1.417000 
1 1 1   14   22    9 o   4.3280   0.7015   4.2660   1.0920   4.3890   0.8814 -0.1223000 1.403000 
1 1 1   14   22   10 o   2.8090   0.7580   2.8650   1.1170   2.7530   1.0250 0.1125000 1.516000 
1 1 1   14   22   11 o   3.1450   0.7721   2.9060   1.1250   3.3840   1.0580 -0.4786000 1.544000 
1 1 1   14   22   12 o   7.4870   0.4362   7.9580   0.6342   7.0170   0.5990 0.9409000 0.8724000 
1 1 1   14   22   13 o   6.2550   0.5178   6.2190   0.7958   6.2910   0.6628 -0.7221000E-01 1.036000 
1 1 1   14   22   14 o   5.7820   0.6401   5.6720   0.9750   5.8930   0.8297 -0.2211000 1.280000 
1 1 1   14   22   15 o   6.4050   0.7767   5.5780   1.1350   7.2330   1.0610 -1.654000 1.553000 
1 1 1   14   22   16 f   7.1470   0.7097   7.3590   0.8223   6.9350   1.1570 0.4237000 1.419000 
1 1 1   14   22   17 o   1.7570   0.6039   2.0220   0.9474   1.4930   0.7493 0.5294000 1.208000 
1 1 1   14   22   18 o   2.7030   0.7705   3.1980   1.1650   2.2070   1.0090 0.9908000 1.541000 
1 1 1   14   22   19 o   2.6640   0.7732   2.2730   1.0180   3.0550   1.1640 -0.7825000 1.546000 
1 1 1   14   22   20 o   2.3150   0.7481   2.0170   0.9476   2.6140   1.1580 -0.5974000 1.496000 
1 1 1   14   22   21 o   2.2210   0.7588   2.2870   1.0880   2.1550   1.0580 0.1321000 1.518000 
1 1 1   14   22   22 o   1.7560   0.6069   1.7530   0.8586   1.7580   0.8579 -0.4492000E-02 1.214000 
1 1 1   14   24    0 o   2.6600   0.7190   2.3740   0.9843   2.9460   1.0480 -0.5721000 1.438000 
1 1 1   14   24    1 o   6.3680   0.4673   5.8340   0.7148   6.9020   0.6022 -1.068000 0.9347000 
1 1 1   14   24    2 o   3.0560   0.7227   3.6430   1.0420   2.4700   1.0020 1.174000 1.445000 
1 1 1   14   24    3 o   14.050   0.2731   14.650   0.4065   13.450   0.3647 1.196000 0.5462000 
1 1 1   14   24    4 o   4.7720   0.6787   5.4880   0.9320   4.0550   0.9869 1.434000 1.357000 
1 1 1   14   24    5 o   7.6320   0.4376   7.1130   0.7075   8.1510   0.5151 -1.039000 0.8752000 
1 1 1   14   24    6 f   7.9420   0.4092   7.8550   0.6382   8.0290   0.5122 -0.1745000 0.8183000 
1 1 1   14   24    7 o   2.9860   0.7566   3.6460   1.1570   2.3260   0.9755 1.320000 1.513000 
1 1 1   14   24    8 o   8.8200   0.3743   9.1380   0.5590   8.5020   0.4978 0.6355000 0.7485000 
1 1 1   14   24    9 o   6.4640   0.5680   7.2290   0.8183   5.6990   0.7881 1.531000 1.136000 
1 1 1   14   24   10 o   10.810   0.3675   11.000   0.5631   10.630   0.4723 0.3640000 0.7349000 
1 1 1   14   24   11 o   7.7710   0.4796   7.4330   0.7600   8.1090   0.5850 -0.6757000 0.9591000 
1 1 1   14   24   12 o   6.0720   0.6523   6.4760   0.9189   5.6670   0.9261 0.8092000 1.305000 
1 1 1   14   24   13 o   3.5810   0.8768   3.5060   1.2600   3.6560   1.2190 -0.1497000 1.754000 
1 1 1   14   24   14 o   2.8390   0.7235   2.1110   0.9626   3.5680   1.0800 -1.456000 1.447000 
1 1 1   14   24   15 o   2.6220   0.7366   3.3140   1.1660   1.9310   0.9010 1.383000 1.473000 
1 1 1   14   24   16 o   4.8850   0.7460   4.1870   1.1680   5.5830   0.9277 -1.396000 1.492000 
1 1 1   14   24   17 o   5.3760   0.7087   4.9880   1.0710   5.7640   0.9287 -0.7760000 1.417000 
1 1 1   14   24   18 o   2.1930   0.7080   2.5180   1.0790   1.8670   0.9167 0.6513000 1.416000 
1 1 1   14   24   19 o   1.9740   0.6835   1.9980   0.9787   1.9490   0.9545 0.4887000E-01 1.367000 
1 1 1   14   26    0 o   2.5420   0.7519   2.6270   1.0700   2.4560   1.0570 0.1711000 1.504000 
1 1 1   14   26    1 o   7.4740   0.4545   7.7650   0.6123   7.1830   0.6718 0.5811000 0.9090000 
1 1 1   14   26    2 o   9.0510   0.3937   9.2360   0.5449   8.8660   0.5684 0.3698000 0.7874000 
1 1 1   14   26    3 o   6.7930   0.5954   6.4580   0.9706   7.1280   0.6900 -0.6696000 1.191000 
1 1 1   14   26    4 o   7.7680   0.5185   8.2600   0.7954   7.2760   0.6652 0.9838000 1.037000 
1 1 1   14   26    5 o   5.1270   0.6824   4.5120   1.1530   5.7410   0.7295 -1.229000 1.365000 
1 1 1   14   26    6 o   6.5270   0.4968   6.7450   0.7472   6.3080   0.6549 0.4376000 0.9936000 
1 1 1   14   26    7 o   2.0740   0.6806   2.2340   1.0120   1.9130   0.9106 0.3207000 1.361000 
1 1 1   14   26    8 o   4.6580   0.8361   4.4230   1.2880   4.8940   1.0660 -0.4706000 1.672000 
1 1 1   14   26    9 o   3.4730   0.8663   3.7830   1.2700   3.1630   1.1790 0.6205000 1.733000 
1 1 1   14   26   10 o   6.3950   0.5141   6.7590   0.7340   6.0310   0.7201 0.7280000 1.028000 
1 1 1   14   26   11 o   2.0830   0.6640   1.7950   0.8664   2.3710   1.0060 -0.5757000 1.328000 
1 1 1   14   26   12 o   4.2450   0.7403   3.6260   1.1670   4.8630   0.9117 -1.236000 1.481000 
1 1 1   14   26   13 o   5.3790   0.6398   5.3080   0.9623   5.4490   0.8435 -0.1408000 1.280000 
1 1 1   14   26   14 o   1.9590   0.6537   1.7200   0.8409   2.1980   1.0010 -0.4778000 1.307000 
1 1 1   14   26   15 o   3.5840   0.8083   4.2740   1.1370   2.8940   1.1500 1.379000 1.617000 
1 1 1   14   26   16 o   2.0180   0.6787   1.6770   0.8444   2.3590   1.0630 -0.6812000 1.357000 
1 1 1   14   28    0 o   4.6410   0.7614   4.2670   1.1420   5.0150   1.0070 -0.7475000 1.523000 
1 1 1   14   28    1 o   9.3120   0.4093   9.6180   0.5683   9.0060   0.5892 0.6125000 0.8186000 
1 1 1   14   28    2 o   4.2620   0.7928   4.7640   1.0640   3.7590   1.1760 1.005000 1.586000 
1 1 1   14   28    3 o   2.9980   0.7987   2.9050   1.1750   3.0920   1.0820 -0.1867000 1.597000 
1 1 1   14   28    4 o   2.6680   0.7671   2.6150   1.1130   2.7220   1.0550 -0.1073000 1.534000 
1 1 1   14   28    5 o   6.8750   0.5210   6.5820   0.8454   7.1680   0.6092 -0.5862000 1.042000 
1 1 1   14   28    6 o   4.0150   0.7325   3.2040   1.1810   4.8270   0.8668 -1.623000 1.465000 
1 1 1   14   28    7 o   2.1200   0.6677   1.8100   0.8757   2.4300   1.0080 -0.6203000 1.335000 
1 1 1   14   28    8 o   1.8850   0.6296   2.2510   1.0120   1.5190   0.7491 0.7318000 1.259000 
1 1 1   14   28    9 o   2.9470   0.7876   2.4100   1.0570   3.4830   1.1680 -1.073000 1.575000 
1 1 1   14   28   10 o   7.4870   0.5057   6.7780   0.7843   8.1960   0.6387 -1.418000 1.011000 
1 1 1   14   28   11 o   2.4930   0.7358   1.9050   0.9109   3.0820   1.1560 -1.178000 1.472000 
1 1 1   14   28   12 f   1.8460   0.6448   2.0320   0.9934   1.6600   0.8222 0.3716000 1.290000 
1 1 1   14   30    0 o   2.0740   0.6994   2.1010   1.0190   2.0470   0.9580 0.5453000E-01 1.399000 
1 1 1   14   30    1 o   2.3810   0.7813   2.3180   1.1400   2.4440   1.0690 -0.1258000 1.563000 
1 1 1   14   30    2 o   3.6890   0.9889   4.0010   1.5790   3.3780   1.1910 0.6224000 1.978000 
1 1 1   14   30    3 o   1.8310   0.6243   2.0670   0.9732   1.5950   0.7823 0.4720000 1.249000 
1 1 1   14   30    4 o   2.3860   0.7369   2.7450   1.1450   2.0280   0.9279 0.7170000 1.474000 
1 1 1   14   30    5 o   1.6130   0.5596   1.4810   0.7464   1.7440   0.8341 -0.2624000 1.119000 
1 1 1   14   30    6 o   5.9060   0.5806   5.9840   0.8865   5.8280   0.7500 0.1560000 1.161000 
1 1 1   15    1    0 o   57.130   0.3685   57.050   0.5706   57.220   0.4665 -0.1676000 0.7370000 
1 1 1   15    1    1 o   34.120   0.2252   34.000   0.3472   34.240   0.2870 -0.2392000 0.4505000 
1 1 1   15    1    2 o   31.270   0.2324   31.290   0.3298   31.250   0.3276 0.4501000E-01 0.4649000 
1 1 1   15    1    3 o   22.750   0.1508   22.590   0.2126   22.900   0.2139 -0.3054000 0.3016000 
1 1 1   15    1    4 o   43.140   0.2559   43.180   0.3623   43.100   0.3614 0.8164000E-01 0.5117000 
1 1 1   15    1    5 o   47.340   0.2802   47.580   0.3981   47.110   0.3945 0.4734000 0.5604000 
1 1 1   15    1    6 o   22.770   0.1811   22.490   0.2294   23.040   0.2804 -0.5519000 0.3622000 
1 1 1   15    1    7 f   7.6700   0.3495   8.6930   0.3433   6.6470   0.6088 2.046000 0.6989000 
1 1 1   15    1    8 o   16.900   0.1493   16.760   0.1943   17.050   0.2266 -0.2940000 0.2985000 
1 1 1   15    1    9 o   19.420   0.1561   19.340   0.2029   19.500   0.2374 -0.1631000 0.3123000 
1 1 1   15    1   10 o   5.4260   0.3360   5.3540   0.4429   5.4990   0.5054 -0.1457000 0.6720000 
1 1 1   15    1   11 o   37.120   0.2221   37.280   0.2919   36.960   0.3348 0.3233000 0.4442000 
1 1 1   15    1   12 o   21.220   0.1746   21.190   0.2269   21.250   0.2655 -0.5836000E-01 0.3493000 
1 1 1   15    1   13 o   18.230   0.1857   18.000   0.2429   18.470   0.2810 -0.4648000 0.3714000 
1 1 1   15    1   14 o   31.100   0.2091   31.000   0.2726   31.190   0.3172 -0.1946000 0.4182000 
1 1 1   15    1   15 o   23.990   0.2602   23.940   0.3648   24.040   0.3710 -0.1042000 0.5203000 
1 1 1   15    1   16 f   14.750   0.2360   14.880   0.3059   14.620   0.3595 0.2574000 0.4720000 
1 1 1   15    1   17 o   19.390   0.2158   19.260   0.2827   19.520   0.3260 -0.2629000 0.4315000 
1 1 1   15    1   18 o   22.950   0.2126   23.190   0.2766   22.710   0.3229 0.4855000 0.4252000 
1 1 1   15    1   19 f   20.880   0.3533   20.740   0.4063   21.030   0.5781 -0.2908000 0.7066000 
1 1 1   15    1   20 o   7.9770   0.4050   7.3660   0.5652   8.5870   0.5803 -1.220000 0.8100000 
1 1 1   15    1   21 o   8.2630   0.3866   7.9460   0.5227   8.5800   0.5697 -0.6344000 0.7731000 
1 1 1   15    1   22 o   6.3480   0.4978   6.3620   0.6404   6.3340   0.7623 0.2750000E-01 0.9956000 
1 1 1   15    1   23 o   3.1300   0.8018   3.0630   1.1320   3.1970   1.1360 -0.1338000 1.604000 
1 1 1   15    1   24 o   5.5920   0.6064   5.8760   0.8175   5.3090   0.8959 0.5665000 1.213000 
1 1 1   15    1   25 o   2.8290   0.7763   2.4880   1.0490   3.1700   1.1440 -0.6824000 1.553000 
1 1 1   15    1   26 o   3.2220   0.7909   3.7160   1.1320   2.7270   1.1050 0.9889000 1.582000 
1 1 1   15    1   27 o   3.1220   0.8647   2.9630   1.2030   3.2800   1.2430 -0.3169000 1.729000 
1 1 1   15    1   28 o   3.2790   0.7722   2.4650   1.0600   4.0930   1.1230 -1.628000 1.544000 
1 1 1   15    1   29 o   2.6530   0.7778   2.3380   1.0390   2.9680   1.1580 -0.6299000 1.556000 
1 1 1   15    1   30 f   3.1800   0.8328   3.4650   1.1940   2.8950   1.1610 0.5702000 1.666000 
1 1 1   15    1   31 o   2.3580   0.8142   2.3660   1.1570   2.3490   1.1460 0.1758000E-01 1.628000 
1 1 1   15    3    0 o   38.440   0.2269   38.140   0.3186   38.750   0.3231 -0.6053000 0.4537000 
1 1 1   15    3    1 o   39.220   0.2856   39.140   0.4031   39.290   0.4046 -0.1469000 0.5711000 
1 1 1   15    3    2 o   26.630   0.1690   26.540   0.2382   26.720   0.2397 -0.1760000 0.3379000 
1 1 1   15    3    3 o   31.060   0.1927   31.470   0.2762   30.640   0.2689 0.8331000 0.3855000 
1 1 1   15    3    4 o   38.050   0.2301   38.320   0.3277   37.780   0.3232 0.5465000 0.4603000 
1 1 1   15    3    5 o   32.160   0.2034   32.170   0.2863   32.150   0.2890 0.1315000E-01 0.4068000 
1 1 1   15    3    6 o   11.610   0.2373   11.380   0.2933   11.830   0.3733 -0.4553000 0.4747000 
1 1 1   15    3    7 o   11.620   0.1983   11.070   0.3162   12.160   0.2396 -1.085000 0.3967000 
1 1 1   15    3    8 o   17.920   0.1619   18.030   0.2283   17.810   0.2295 0.2195000 0.3237000 
1 1 1   15    3    9 o   6.7120   0.2825   7.0400   0.3784   6.3830   0.4196 0.6565000 0.5650000 
1 1 1   15    3   10 o   18.680   0.1747   18.540   0.2457   18.830   0.2484 -0.2838000 0.3494000 
1 1 1   15    3   11 f   3.8820   0.5522   3.8340   0.7820   3.9290   0.7799 -0.9467000E-01 1.104000 
1 1 1   15    3   12 o   11.210   0.2341   11.540   0.3269   10.890   0.3351 0.6454000 0.4682000 
1 1 1   15    3   13 o   18.540   0.1887   18.540   0.2469   18.530   0.2855 0.1911000E-01 0.3774000 
1 1 1   15    3   14 o   17.530   0.2093   17.550   0.2895   17.510   0.3025 0.4876000E-01 0.4187000 
1 1 1   15    3   15 f   14.810   0.2746   15.030   0.3446   14.600   0.4277 0.4359000 0.5493000 
1 1 1   15    3   16 o   25.400   0.2070   25.350   0.2702   25.460   0.3136 -0.1122000 0.4139000 
1 1 1   15    3   17 o   10.250   0.3165   10.310   0.4128   10.190   0.4800 0.1239000 0.6331000 
1 1 1   15    3   18 f   21.940   0.2117   22.070   0.2777   21.800   0.3197 0.2640000 0.4235000 
1 1 1   15    3   19 o   7.5840   0.7060   8.4310   0.7272   6.7380   1.2100 1.693000 1.412000 
1 1 1   15    3   20 o   12.910   0.2687   12.870   0.3557   12.960   0.4028 -0.8949000E-01 0.5374000 
1 1 1   15    3   21 o   7.6500   0.4025   7.4550   0.5465   7.8450   0.5911 -0.3908000 0.8050000 
1 1 1   15    3   22 o   5.9410   0.5251   5.4570   0.7560   6.4240   0.7290 -0.9672000 1.050000 
1 1 1   15    3   23 o   2.8920   0.7267   2.1080   0.9335   3.6750   1.1140 -1.567000 1.453000 
1 1 1   15    3   24 f   4.4010   0.6870   3.8510   0.9991   4.9510   0.9431 -1.100000 1.374000 
1 1 1   15    3   25 o   3.8300   0.7536   3.9250   1.0130   3.7350   1.1160 0.1898000 1.507000 
1 1 1   15    3   26 o   3.5590   0.7612   2.8940   1.0610   4.2240   1.0920 -1.330000 1.522000 
1 1 1   15    3   27 o   4.2410   0.8706   4.8000   1.1720   3.6820   1.2870 1.119000 1.741000 
1 1 1   15    3   28 o   3.5120   0.7841   2.8940   1.0750   4.1300   1.1410 -1.236000 1.568000 
1 1 1   15    3   29 o   2.4720   0.7266   1.8990   0.8912   3.0450   1.1480 -1.146000 1.453000 
1 1 1   15    3   30 o   4.4620   0.7549   4.9960   0.9469   3.9280   1.1760 1.068000 1.510000 
1 1 1   15    3   31 o   2.5850   0.8476   2.5540   1.1670   2.6160   1.2290 -0.6153000E-01 1.695000 
1 1 1   15    5    0 o   15.570   0.1262   15.450   0.1884   15.680   0.1680 -0.2273000 0.2524000 
1 1 1   15    5    1 o   18.600   0.1421   18.760   0.2011   18.450   0.2010 0.3021000 0.2843000 
1 1 1   15    5    2 o   42.210   0.2526   42.210   0.3571   42.220   0.3572 -0.7832000E-02 0.5051000 
1 1 1   15    5    3 o   8.7960   0.1751   8.9460   0.2407   8.6450   0.2545 0.3016000 0.3503000 
1 1 1   15    5    4 o   56.050   0.3680   56.180   0.4678   55.920   0.5681 0.2620000 0.7360000 
1 1 1   15    5    5 o   18.170   0.2757  ?   ?    18.170   0.2757      ?      ? 
1 1 1   15    5    6 o   16.480   0.2022   16.650   0.2898   16.310   0.2820 0.3367000 0.4044000 
1 1 1   15    5    7 o   15.110   0.1671   15.440   0.2381   14.780   0.2345 0.6602000 0.3342000 
1 1 1   15    5    8 o   9.1470   0.2205   9.4110   0.3026   8.8830   0.3207 0.5285000 0.4410000 
1 1 1   15    5    9 o   12.240   0.1946   12.250   0.2739   12.230   0.2764 0.1891000E-01 0.3891000 
1 1 1   15    5   10 o   33.490   0.2221   33.130   0.3123   33.840   0.3159 -0.7019000 0.4442000 
1 1 1   15    5   11 o   36.320   0.2374   36.400   0.3371   36.240   0.3342 0.1634000 0.4747000 
1 1 1   15    5   12 o   28.880   0.2116   29.060   0.3013   28.710   0.2972 0.3516000 0.4232000 
1 1 1   15    5   13 o   21.190   0.2052   21.240   0.2895   21.130   0.2909 0.1015000 0.4104000 
1 1 1   15    5   14 o   28.140   0.3253   28.710   0.5271   27.580   0.3813 1.131000 0.6506000 
1 1 1   15    5   15 o   17.900   0.2267   17.800   0.3201   18.010   0.3211 -0.2093000 0.4534000 
1 1 1   15    5   16 o   24.990   0.2253   24.750   0.3188   25.230   0.3185 -0.4728000 0.4506000 
1 1 1   15    5   17 o   15.070   0.2614   15.190   0.3664   14.950   0.3730 0.2345000 0.5228000 
1 1 1   15    5   18 o   3.1940   0.7394   3.8290   1.0230   2.5600   1.0680 1.269000 1.479000 
1 1 1   15    5   19 o   12.010   0.4394   11.810   0.5430   12.210   0.6910 -0.4057000 0.8788000 
1 1 1   15    5   20 o   5.2640   0.6201   6.4100   0.6244   4.1190   1.0720 2.290000 1.240000 
1 1 1   15    5   21 o   3.2570   0.7585   3.5530   1.0390   2.9610   1.1050 0.5916000 1.517000 
1 1 1   15    5   22 o   6.9310   0.4402   7.0180   0.5716   6.8440   0.6695 0.1740000 0.8804000 
1 1 1   15    5   23 o   2.8460   0.7521   2.4660   1.0010   3.2260   1.1230 -0.7602000 1.504000 
1 1 1   15    5   24 o   5.3490   0.5722   5.2230   0.7661   5.4740   0.8501 -0.2507000 1.144000 
1 1 1   15    5   25 o   10.090   0.3260   10.230   0.4273   9.9420   0.4925 0.2882000 0.6520000 
1 1 1   15    5   26 o   2.3660   0.7587   2.4090   1.0800   2.3230   1.0660 0.8671000E-01 1.517000 
1 1 1   15    5   27 o   4.3290   0.6696   5.7420   0.7541   2.9150   1.1070 2.827000 1.339000 
1 1 1   15    5   28 o   4.2360   0.7524   4.4850   0.9902   3.9870   1.1330 0.4980000 1.505000 
1 1 1   15    5   29 o   2.2910   0.7167   2.2900   1.0010   2.2910   1.0250 -0.1895000E-02 1.433000 
1 1 1   15    5   30 o   2.5690   0.8361   2.8730   1.2550   2.2660   1.1050 0.6072000 1.672000 
1 1 1   15    5   31 o   1.7600   0.6053   1.6300   0.7997   1.8910   0.9088 -0.2611000 1.211000 
1 1 1   15    7    0 o   29.020   0.1885   29.150   0.2682   28.900   0.2650 0.2484000 0.3771000 
1 1 1   15    7    1 o   34.420   0.2156   34.500   0.3058   34.350   0.3039 0.1469000 0.4312000 
1 1 1   15    7    2 o   16.430   0.1685   16.290   0.2196   16.570   0.2555 -0.2837000 0.3369000 
1 1 1   15    7    3 o   25.980   0.1803   25.970   0.2541   26.000   0.2559 -0.3044000E-01 0.3606000 
1 1 1   15    7    4 f   25.870   0.2250   25.350   0.3147   26.380   0.3216 -1.030000 0.4500000 
1 1 1   15    7    5 o   15.570   0.1663   15.330   0.2319   15.810   0.2383 -0.4777000 0.3325000 
1 1 1   15    7    6 o   21.460   0.2009   21.160   0.2449   21.770   0.3187 -0.6159000 0.4019000 
1 1 1   15    7    7 o   7.9360   0.2565   8.0910   0.3567   7.7810   0.3688 0.3104000 0.5131000 
1 1 1   15    7    8 o   16.090   0.1806   15.860   0.2569   16.310   0.2540 -0.4511000 0.3612000 
1 1 1   15    7    9 o   16.420   0.1902   16.620   0.2741   16.210   0.2636 0.4136000 0.3803000 
1 1 1   15    7   10 o   23.410   0.1963   23.280   0.2818   23.530   0.2732 -0.2512000 0.3925000 
1 1 1   15    7   11 o   6.5770   0.3940   7.1280   0.5372   6.0260   0.5766 1.102000 0.7880000 
1 1 1   15    7   12 o   35.480   0.2662   35.690   0.4104   35.270   0.3393 0.4214000 0.5325000 
1 1 1   15    7   13 o   40.010   0.3928   39.900   0.6369   40.120   0.4599 -0.2225000 0.7856000 
1 1 1   15    7   14 o   37.380   0.2898   37.670   0.4526   37.090   0.3620 0.5756000 0.5796000 
1 1 1   15    7   15 o   26.370   0.2261   26.610   0.3196   26.130   0.3198 0.4818000 0.4521000 
1 1 1   15    7   16 o   13.890   0.2682   14.000   0.3756   13.780   0.3830 0.2210000 0.5365000 
1 1 1   15    7   17 o   11.040   0.3218   10.780   0.4729   11.310   0.4366 -0.5283000 0.6437000 
1 1 1   15    7   18 o   9.0870   0.5515   9.0020   0.6829   9.1720   0.8661 -0.1701000 1.103000 
1 1 1   15    7   19 o   6.1290   0.5628   5.4870   0.8837   6.7710   0.6970 -1.284000 1.126000 
1 1 1   15    7   20 o   6.5800   0.5066   6.5960   0.7226   6.5630   0.7102 0.3381000E-01 1.013000 
1 1 1   15    7   21 o   4.0000   0.7561   4.3180   1.0290   3.6830   1.1080 0.6347000 1.512000 
1 1 1   15    7   22 o   6.4440   0.4719   6.3400   0.6245   6.5480   0.7076 -0.2074000 0.9438000 
1 1 1   15    7   23 o   8.6770   0.3595   8.6780   0.4742   8.6760   0.5404 0.2186000E-02 0.7190000 
1 1 1   15    7   24 o   7.9260   0.3948   7.8340   0.5292   8.0170   0.5860 -0.1832000 0.7896000 
1 1 1   15    7   25 o   2.6900   0.7232   3.1110   1.0490   2.2690   0.9958 0.8425000 1.446000 
1 1 1   15    7   26 o   2.5040   0.7761   2.0310   0.9653   2.9770   1.2160 -0.9461000 1.552000 
1 1 1   15    7   27 o   3.1610   0.7634   3.6130   1.0690   2.7090   1.0900 0.9032000 1.527000 
1 1 1   15    7   28 o   2.6450   0.7601   2.5720   1.0480   2.7180   1.1010 -0.1460000 1.520000 
1 1 1   15    7   29 o   2.4680   0.7280   1.8620   0.8832   3.0730   1.1570 -1.211000 1.456000 
1 1 1   15    7   30 o   2.8890   0.8833   3.2240   1.2990   2.5540   1.1980 0.6702000 1.767000 
1 1 1   15    7   31 o   2.1870   0.7557   2.4120   1.1350   1.9620   0.9977 0.4502000 1.511000 
1 1 1   15    9    0 o   17.290   0.1715   17.500   0.2425   17.090   0.2427 0.4105000 0.3431000 
1 1 1   15    9    1 o   4.2870   0.5010   4.4350   0.7454   4.1390   0.6697 0.2956000 1.002000 
1 1 1   15    9    2 o   12.680   0.1732   12.930   0.2574   12.430   0.2319 0.5018000 0.3464000 
1 1 1   15    9    3 o   11.690   0.1943   11.830   0.2660   11.550   0.2833 0.2844000 0.3886000 
1 1 1   15    9    4 o   13.760   0.1802   13.790   0.2531   13.730   0.2564 0.5544000E-01 0.3603000 
1 1 1   15    9    5 o   4.8520   0.4126   5.0300   0.5492   4.6740   0.6160 0.3558000 0.8253000 
1 1 1   15    9    6 o   11.190   0.2137   10.880   0.3101   11.510   0.2943 -0.6289000 0.4275000 
1 1 1   15    9    7 o   44.560   0.2775   44.620   0.3918   44.500   0.3929 0.1153000 0.5549000 
1 1 1   15    9    8 o   12.370   0.2227   12.250   0.3174   12.490   0.3123 -0.2432000 0.4453000 
1 1 1   15    9    9 o   26.220   0.2054   26.560   0.2941   25.880   0.2869 0.6737000 0.4109000 
1 1 1   15    9   10 o   30.910   0.2235   30.910   0.3189   30.920   0.3133 -0.1236000E-01 0.4471000 
1 1 1   15    9   11 o   31.990   0.2523   32.130   0.3870   31.860   0.3239 0.2764000 0.5047000 
1 1 1   15    9   12 o   15.750   0.3474   15.380   0.5505   16.130   0.4240 -0.7587000 0.6948000 
1 1 1   15    9   13 o   35.990   0.2865   36.450   0.4525   35.530   0.3516 0.9235000 0.5730000 
1 1 1   15    9   14 o   11.190   0.3177   11.170   0.4592   11.210   0.4392 -0.4041000E-01 0.6354000 
1 1 1   15    9   15 f   13.220   0.2817   13.180   0.4025   13.250   0.3941 -0.7751000E-01 0.5634000 
1 1 1   15    9   16 o   11.480   0.3032   11.460   0.4346   11.490   0.4230 -0.3452000E-01 0.6064000 
1 1 1   15    9   17 o   21.440   0.3407   20.630   0.4192   22.250   0.5371 -1.620000 0.6814000 
1 1 1   15    9   18 o   19.950   0.2707   20.470   0.4215   19.440   0.3399 1.027000 0.5415000 
1 1 1   15    9   19 o   11.930   0.3068   11.910   0.4415   11.950   0.4261 -0.4448000E-01 0.6136000 
1 1 1   15    9   20 o   5.3740   0.6211   5.7280   0.8355   5.0210   0.9192 0.7070000 1.242000 
1 1 1   15    9   21 o   5.8510   0.5675   5.9210   0.8007   5.7810   0.8044 0.1394000 1.135000 
1 1 1   15    9   22 o   3.1670   0.7911   3.2530   1.1240   3.0810   1.1130 0.1718000 1.582000 
1 1 1   15    9   23 o   7.7850   0.4219   7.4490   0.6169   8.1210   0.5756 -0.6723000 0.8438000 
1 1 1   15    9   24 o   2.9190   0.7708   2.8880   1.0920   2.9500   1.0880 -0.6182000E-01 1.542000 
1 1 1   15    9   25 o   3.1090   0.8684   3.0520   1.2040   3.1660   1.2510 -0.1141000 1.737000 
1 1 1   15    9   26 o   3.1630   0.7828   2.8750   1.0650   3.4510   1.1480 -0.5761000 1.566000 
1 1 1   15    9   27 o   2.1880   0.6924   2.0620   0.9325   2.3140   1.0240 -0.2521000 1.385000 
1 1 1   15    9   28 o   1.8850   0.6300   1.8750   0.8812   1.8950   0.9008 -0.2012000E-01 1.260000 
1 1 1   15    9   29 o   2.4440   0.8153   2.0540   0.9962   2.8330   1.2910 -0.7793000 1.631000 
1 1 1   15    9   30 o   2.9130   0.7882   2.4100   1.0420   3.4150   1.1830 -1.005000 1.576000 
1 1 1   15   11    0 o   48.530   0.2569   48.260   0.3611   48.790   0.3657 -0.5389000 0.5139000 
1 1 1   15   11    1 o   19.780   0.1611   19.770   0.2258   19.780   0.2299 -0.1413000E-01 0.3222000 
1 1 1   15   11    2 f   19.430   0.1732   19.250   0.2589   19.620   0.2301 -0.3766000 0.3464000 
1 1 1   15   11    3 o   11.880   0.2343   11.470   0.3857   12.290   0.2660 -0.8156000 0.4686000 
1 1 1   15   11    4 o   17.510   0.1797   17.700   0.2682   17.310   0.2391 0.3884000 0.3593000 
1 1 1   15   11    5 o   45.400   0.2829   45.330   0.3995   45.470   0.4007 -0.1453000 0.5658000 
1 1 1   15   11    6 o   31.610   0.2220   31.520   0.3147   31.700   0.3131 -0.1750000 0.4439000 
1 1 1   15   11    7 o   30.410   0.2200   30.180   0.3115   30.650   0.3107 -0.4697000 0.4400000 
1 1 1   15   11    8 o   61.220   0.3682   61.310   0.5217   61.140   0.5198 0.1777000 0.7365000 
1 1 1   15   11    9 o   12.270   0.2799   12.340   0.4170   12.190   0.3733 0.1502000 0.5597000 
1 1 1   15   11   10 o   13.660   0.2673   13.750   0.3993   13.580   0.3553 0.1718000 0.5345000 
1 1 1   15   11   11 o   12.570   0.3601   12.710   0.5080   12.420   0.5105 0.2843000 0.7202000 
1 1 1   15   11   12 o   44.370   0.2899   44.720   0.4139   44.020   0.4061 0.6956000 0.5798000 
1 1 1   15   11   13 o   38.240   0.2645   38.140   0.3760   38.350   0.3722 -0.2070000 0.5290000 
1 1 1   15   11   14 o   16.880   0.2484   16.740   0.3585   17.020   0.3438 -0.2823000 0.4968000 
1 1 1   15   11   15 o   17.210   0.2617   17.300   0.3479   17.110   0.3911 0.1860000 0.5234000 
1 1 1   15   11   16 o   6.7660   0.7584   7.5990   0.8805   5.9340   1.2350 1.665000 1.517000 
1 1 1   15   11   17 o   11.390   0.3171   11.740   0.4464   11.040   0.4504 0.6948000 0.6342000 
1 1 1   15   11   18 o   14.080   0.2780   14.180   0.4020   13.970   0.3842 0.2015000 0.5561000 
1 1 1   15   11   19 o   5.0990   0.6635   5.2790   0.9490   4.9190   0.9277 0.3599000 1.327000 
1 1 1   15   11   20 o   4.6540   0.7087   5.2120   0.9420   4.0960   1.0590 1.116000 1.417000 
1 1 1   15   11   21 o   9.6540   0.3608   10.020   0.5016   9.2910   0.5186 0.7254000 0.7215000 
1 1 1   15   11   22 o   3.1870   0.7742   3.7340   1.1180   2.6410   1.0710 1.093000 1.548000 
1 1 1   15   11   23 o   3.2890   0.7028   2.1860   0.9769   4.3920   1.0100 -2.206000 1.406000 
1 1 1   15   11   24 f   2.9970   0.8921   3.0490   1.3050   2.9460   1.2170 0.1026000 1.784000 
1 1 1   15   11   25 o   3.0260   0.8430   3.2430   1.2690   2.8100   1.1100 0.4332000 1.686000 
1 1 1   15   11   26 o   2.5960   0.7663   2.3030   1.0290   2.8880   1.1360 -0.5851000 1.533000 
1 1 1   15   11   27 o   2.1990   0.6978   2.6520   1.1060   1.7460   0.8509 0.9066000 1.396000 
1 1 1   15   11   28 o   3.0380   0.8098   3.6820   1.1930   2.3930   1.0960 1.289000 1.620000 
1 1 1   15   11   29 o   1.6690   0.5919   1.7420   0.8708   1.5950   0.8020 0.1471000 1.184000 
1 1 1   15   13    0 o   34.970   0.2053   35.090   0.2899   34.840   0.2907 0.2508000 0.4106000 
1 1 1   15   13    1 o   25.860   0.1793   25.930   0.2521   25.780   0.2551 0.1518000 0.3587000 
1 1 1   15   13    2 o   15.640   0.2212   15.080   0.3555   16.210   0.2632 -1.138000 0.4423000 
1 1 1   15   13    3 o   57.190   0.3239   56.540   0.4849   57.830   0.4294 -1.296000 0.6477000 
1 1 1   15   13    4 o   20.230   0.1933   20.500   0.2913   19.960   0.2542 0.5362000 0.3866000 
1 1 1   15   13    5 o   23.330   0.2150   23.770   0.3442   22.900   0.2578 0.8689000 0.4300000 
1 1 1   15   13    6 o   23.240   0.2301   23.270   0.3482   23.220   0.3011 0.4794000E-01 0.4603000 
1 1 1   15   13    7 o   37.840   0.2816   37.700   0.4321   37.970   0.3613 -0.2700000 0.5632000 
1 1 1   15   13    8 o   30.310   0.2872   30.330   0.4087   30.280   0.4037 0.5474000E-01 0.5744000 
1 1 1   15   13    9 o   36.430   0.3168   36.680   0.4500   36.180   0.4461 0.5010000 0.6336000 
1 1 1   15   13   10 o   27.410   0.2625   26.850   0.3264   27.980   0.4112 -1.130000 0.5250000 
1 1 1   15   13   11 o   4.7190   0.7082   4.6830   1.0010   4.7550   1.0020 -0.7206000E-01 1.416000 
1 1 1   15   13   12 o   9.4260   0.3713   8.9920   0.5478   9.8590   0.5015 -0.8663000 0.7427000 
1 1 1   15   13   13 o   9.5460   0.3638   9.5290   0.5197   9.5630   0.5093 -0.3378000E-01 0.7277000 
1 1 1   15   13   14 o   9.0150   0.4214   9.8320   0.5250   8.1980   0.6594 1.634000 0.8429000 
1 1 1   15   13   15 o   10.310   0.4436   10.650   0.6483   9.9630   0.6057 0.6846000 0.8872000 
1 1 1   15   13   16 o   2.6020   0.7515   2.4210   1.0450   2.7840   1.0810 -0.3633000 1.503000 
1 1 1   15   13   17 o   7.1260   0.4592   7.0960   0.6629   7.1550   0.6356 -0.5978000E-01 0.9184000 
1 1 1   15   13   18 o   8.4090   0.4033   9.2570   0.5250   7.5600   0.6122 1.697000 0.8065000 
1 1 1   15   13   19 o   5.2110   0.6320   5.6590   0.8450   4.7630   0.9401 0.8963000 1.264000 
1 1 1   15   13   20 o   11.100   0.3295   11.030   0.4882   11.170   0.4426 -0.1405000 0.6590000 
1 1 1   15   13   21 o   4.3170   0.7398   4.9950   0.9675   3.6380   1.1200 1.357000 1.480000 
1 1 1   15   13   22 o   2.9790   0.7570   3.5870   1.1260   2.3710   1.0120 1.216000 1.514000 
1 1 1   15   13   23 o   3.7790   0.9350   4.3240   1.3820   3.2340   1.2600 1.090000 1.870000 
1 1 1   15   13   24 o   2.5190   0.7855   2.6540   1.1770   2.3830   1.0400 0.2713000 1.571000 
1 1 1   15   13   25 o   2.7550   0.7681   3.2800   1.1600   2.2300   1.0080 1.051000 1.536000 
1 1 1   15   13   26 f   3.6510   0.8322   3.8970   1.1770   3.4050   1.1770 0.4916000 1.664000 
1 1 1   15   13   27 o   5.4520   0.7499   4.8670   1.0720   6.0370   1.0490 -1.170000 1.500000 
1 1 1   15   13   28 o   2.5510   0.8324   2.7610   1.2270   2.3400   1.1250 0.4209000 1.665000 
1 1 1   15   15    0 o   21.340   0.2086   21.500   0.2914   21.170   0.2987 0.3295000 0.4172000 
1 1 1   15   15    1 o   23.180   0.2084   22.880   0.2914   23.480   0.2980 -0.6092000 0.4168000 
1 1 1   15   15    2 o   24.000   0.2342   24.310   0.3593   23.690   0.3007 0.6194000 0.4685000 
1 1 1   15   15    3 o   5.6960   0.4972   5.3500   0.7964   6.0420   0.5955 -0.6917000 0.9944000 
1 1 1   15   15    4 o   7.0220   0.3983   7.1010   0.5975   6.9430   0.5269 0.1580000 0.7967000 
1 1 1   15   15    5 o   37.760   0.2937   38.050   0.4558   37.460   0.3705 0.5960000 0.5874000 
1 1 1   15   15    6 o   28.690   0.2633   29.010   0.4059   28.380   0.3355 0.6346000 0.5266000 
1 1 1   15   15    7 o   3.4690   0.7819   3.7120   1.1340   3.2260   1.0770 0.4859000 1.564000 
1 1 1   15   15    8 o   11.780   0.3124   11.490   0.4484   12.070   0.4352 -0.5723000 0.6249000 
1 1 1   15   15    9 o   13.280   0.2865   13.090   0.4123   13.460   0.3979 -0.3702000 0.5731000 
1 1 1   15   15   10 o   6.1960   0.5580   5.6890   0.8696   6.7030   0.6994 -1.013000 1.116000 
1 1 1   15   15   11 o   18.190   0.2637   18.060   0.3530   18.310   0.3919 -0.2508000 0.5274000 
1 1 1   15   15   12 o   15.170   0.2876   15.020   0.3881   15.330   0.4246 -0.3016000 0.5752000 
1 1 1   15   15   13 f   8.0640   0.5826   6.9620   0.9468   9.1660   0.6792 -2.203000 1.165000 
1 1 1   15   15   14 o   20.680   0.2411   20.370   0.3455   20.990   0.3363 -0.6168000 0.4821000 
1 1 1   15   15   15 o   9.4030   0.3747   9.5470   0.5294   9.2590   0.5305 0.2877000 0.7494000 
1 1 1   15   15   16 o   2.5840   0.7189   1.9160   0.9058   3.2530   1.1170 -1.337000 1.438000 
1 1 1   15   15   17 o   8.5250   0.3987   8.7730   0.5626   8.2760   0.5650 0.4978000 0.7974000 
1 1 1   15   15   18 o   8.7790   0.3880   8.8230   0.5620   8.7360   0.5350 0.8762000E-01 0.7760000 
1 1 1   15   15   19 o   7.7680   0.4276   7.5720   0.6362   7.9640   0.5715 -0.3917000 0.8552000 
1 1 1   15   15   20 o   6.2640   0.5499   5.7610   0.8613   6.7670   0.6840 -1.006000 1.100000 
1 1 1   15   15   21 o   7.9680   0.4215   7.3950   0.6437   8.5410   0.5443 -1.146000 0.8430000 
1 1 1   15   15   22 o   3.8460   0.9574   3.6300   1.4070   4.0630   1.2980 -0.4333000 1.915000 
1 1 1   15   15   23 f   4.9720   0.6926   3.9970   1.1150   5.9470   0.8222 -1.950000 1.385000 
1 1 1   15   15   24 o   2.4080   0.7327   2.1210   0.9722   2.6950   1.0960 -0.5738000 1.465000 
1 1 1   15   15   25 o   2.1290   0.6907   2.1660   0.9885   2.0920   0.9649 0.7379000E-01 1.381000 
1 1 1   15   15   26 o   3.3380   0.8652   3.6130   1.1990   3.0630   1.2470 0.5507000 1.730000 
1 1 1   15   15   27 o   2.0180   0.6956   2.2660   1.0810   1.7700   0.8759 0.4958000 1.391000 
1 1 1   15   17    0 o   16.880   0.2459   16.670   0.3433   17.080   0.3522 -0.4115000 0.4918000 
1 1 1   15   17    1 o   29.660   0.2385   29.690   0.3357   29.630   0.3389 0.5436000E-01 0.4770000 
1 1 1   15   17    2 o   18.280   0.2249   18.290   0.3368   18.260   0.2980 0.3193000E-01 0.4498000 
1 1 1   15   17    3 o   14.570   0.2537   14.830   0.3848   14.310   0.3307 0.5266000 0.5074000 
1 1 1   15   17    4 o   8.7190   0.3624   8.5220   0.5545   8.9170   0.4669 -0.3943000 0.7249000 
1 1 1   15   17    5 o   16.390   0.2370   16.570   0.3561   16.220   0.3129 0.3534000 0.4740000 
1 1 1   15   17    6 o   9.0950   0.3587   9.0410   0.5449   9.1500   0.4667 -0.1091000 0.7174000 
1 1 1   15   17    7 o   12.760   0.2920   12.540   0.4236   12.980   0.4020 -0.4439000 0.5840000 
1 1 1   15   17    8 o   21.260   0.2367   21.070   0.3400   21.440   0.3293 -0.3638000 0.4734000 
1 1 1   15   17    9 o   5.2730   0.7010   5.7860   0.8414   4.7590   1.1210 1.026000 1.402000 
1 1 1   15   17   10 o   6.2820   0.7034   5.6640   1.1270   6.9010   0.8420 -1.237000 1.407000 
1 1 1   15   17   11 o   10.550   0.4259   10.420   0.6380   10.680   0.5644 -0.2624000 0.8518000 
1 1 1   15   17   12 o   6.6430   0.5287   6.4400   0.7773   6.8450   0.7169 -0.4056000 1.057000 
1 1 1   15   17   13 o   9.7170   0.3721   10.040   0.5090   9.3950   0.5430 0.6436000 0.7442000 
1 1 1   15   17   14 o   10.150   0.3585   10.010   0.5136   10.280   0.5002 -0.2748000 0.7169000 
1 1 1   15   17   15 f   4.0280   0.7724   4.2680   1.0720   3.7870   1.1120 0.4808000 1.545000 
1 1 1   15   17   16 o   6.2570   0.5326   6.2080   0.7644   6.3070   0.7419 -0.9949000E-01 1.065000 
1 1 1   15   17   17 o   8.3770   0.4093   8.4030   0.5861   8.3500   0.5716 0.5277000E-01 0.8187000 
1 1 1   15   17   18 o   8.5830   0.4063   9.1440   0.5498   8.0220   0.5984 1.122000 0.8126000 
1 1 1   15   17   19 o   2.5910   0.7573   2.6780   1.0950   2.5040   1.0470 0.1744000 1.515000 
1 1 1   15   17   20 o   6.1950   0.5917   5.8230   0.9539   6.5660   0.7004 -0.7432000 1.183000 
1 1 1   15   17   21 o   2.6140   0.8125   2.3180   1.0720   2.9090   1.2210 -0.5911000 1.625000 
1 1 1   15   17   22 o   4.4820   0.7559   3.8670   1.1520   5.0970   0.9785 -1.231000 1.512000 
1 1 1   15   17   23 o   2.7510   0.7822   2.5620   1.0880   2.9390   1.1240 -0.3769000 1.564000 
1 1 1   15   17   24 o   3.3150   0.8241   3.5470   1.1780   3.0840   1.1530 0.4637000 1.648000 
1 1 1   15   17   25 o   2.2650   0.7667   2.1920   1.0470   2.3370   1.1200 -0.1458000 1.533000 
1 1 1   15   17   26 o   3.1040   0.7338   1.9520   0.9276   4.2560   1.1370 -2.304000 1.468000 
1 1 1   15   19    0 o   15.590   0.2598   15.430   0.3731   15.760   0.3615 -0.3268000 0.5195000 
1 1 1   15   19    1 o   23.250   0.2324   23.740   0.3311   22.770   0.3262 0.9635000 0.4648000 
1 1 1   15   19    2 o   23.250   0.2351   22.970   0.3383   23.530   0.3266 -0.5609000 0.4702000 
1 1 1   15   19    3 o   19.810   0.2402   20.010   0.3436   19.610   0.3357 0.3982000 0.4804000 
1 1 1   15   19    4 o   11.200   0.3317   11.110   0.4943   11.290   0.4423 -0.1814000 0.6633000 
1 1 1   15   19    5 o   7.2970   0.4308   7.8000   0.6141   6.7950   0.6044 1.005000 0.8616000 
1 1 1   15   19    6 o   3.1400   0.7821   3.5330   1.1610   2.7480   1.0480 0.7857000 1.564000 
1 1 1   15   19    7 o   6.4410   0.6641   5.5730   1.1480   7.3090   0.6678 -1.736000 1.328000 
1 1 1   15   19    8 o   4.3350   0.8282   5.4210   1.1930   3.2480   1.1490 2.173000 1.656000 
1 1 1   15   19    9 o   10.390   0.3315   10.240   0.5098   10.540   0.4238 -0.2936000 0.6629000 
1 1 1   15   19   10 o   4.1830   0.7452   4.3520   1.1050   4.0130   1.0010 0.3391000 1.490000 
1 1 1   15   19   11 o   10.070   0.3598   10.260   0.5123   9.8740   0.5054 0.3815000 0.7196000 
1 1 1   15   19   12 o   13.970   0.2861   13.890   0.4139   14.060   0.3952 -0.1631000 0.5722000 
1 1 1   15   19   13 o   7.7230   0.4489   7.8140   0.6233   7.6310   0.6461 0.1828000 0.8977000 
1 1 1   15   19   14 o   7.9380   0.4336   8.0960   0.5987   7.7800   0.6274 0.3154000 0.8672000 
1 1 1   15   19   15 o   8.9690   0.3888   9.1820   0.5387   8.7570   0.5608 0.4245000 0.7776000 
1 1 1   15   19   16 f   3.0650   0.8027   3.2210   1.1530   2.9090   1.1170 0.3127000 1.605000 
1 1 1   15   19   17 o   3.3900   0.7993   3.1130   1.1370   3.6660   1.1240 -0.5538000 1.599000 
1 1 1   15   19   18 o   3.8180   0.8186   3.5430   1.2190   4.0930   1.0930 -0.5498000 1.637000 
1 1 1   15   19   19 o   2.4730   0.7864   2.6370   1.1480   2.3090   1.0750 0.3272000 1.573000 
1 1 1   15   19   20 o   5.3180   0.6721   6.3880   0.7579   4.2470   1.1100 2.141000 1.344000 
1 1 1   15   19   21 o   3.9100   0.7979   4.5150   1.0960   3.3050   1.1590 1.210000 1.596000 
1 1 1   15   19   22 o   2.5340   0.7648   2.4920   1.0820   2.5760   1.0810 -0.8379000E-01 1.530000 
1 1 1   15   19   23 o   2.6440   0.8002   2.6550   1.1170   2.6320   1.1460 0.2355000E-01 1.600000 
1 1 1   15   19   24 o   1.9930   0.6837   1.7770   0.8873   2.2090   1.0400 -0.4321000 1.367000 
1 1 1   15   21    0 o   18.520   0.2510   18.340   0.3588   18.710   0.3512 -0.3731000 0.5020000 
1 1 1   15   21    1 o   2.5460   0.7325   3.1750   1.1490   1.9180   0.9092 1.257000 1.465000 
1 1 1   15   21    2 o   16.200   0.2664   16.320   0.3798   16.070   0.3737 0.2525000 0.5329000 
1 1 1   15   21    3 o   18.210   0.2931   18.510   0.4661   17.920   0.3554 0.5829000 0.5862000 
1 1 1   15   21    4 o   13.130   0.2762   13.400   0.4223   12.850   0.3561 0.5459000 0.5524000 
1 1 1   15   21    5 f   5.2610   0.6196   4.7310   1.0120   5.7910   0.7153 -1.061000 1.239000 
1 1 1   15   21    6 o   11.530   0.3006   11.440   0.4577   11.620   0.3899 -0.1810000 0.6013000 
1 1 1   15   21    7 o   5.4310   0.5817   5.5750   0.8641   5.2880   0.7790 0.2875000 1.163000 
1 1 1   15   21    8 o   7.4540   0.4248   7.6400   0.6349   7.2680   0.5646 0.3719000 0.8496000 
1 1 1   15   21    9 o   8.3590   0.3869   8.7280   0.5773   7.9910   0.5154 0.7370000 0.7738000 
1 1 1   15   21   10 o   4.9990   0.6476   5.9450   0.8654   4.0520   0.9637 1.893000 1.295000 
1 1 1   15   21   11 o   14.270   0.2692   14.280   0.4125   14.260   0.3460 0.2592000E-01 0.5384000 
1 1 1   15   21   12 o   8.3540   0.3984   8.0940   0.6288   8.6140   0.4894 -0.5207000 0.7968000 
1 1 1   15   21   13 o   8.4040   0.4299   8.3460   0.6232   8.4620   0.5924 -0.1160000 0.8598000 
1 1 1   15   21   14 o   12.040   0.3258   11.350   0.4810   12.720   0.4394 -1.368000 0.6515000 
1 1 1   15   21   15 o   11.700   0.3561   11.690   0.5374   11.720   0.4675 -0.2157000E-01 0.7123000 
1 1 1   15   21   16 o   2.7790   0.8376   3.0160   1.1950   2.5410   1.1750 0.4754000 1.675000 
1 1 1   15   21   17 o   2.5510   0.8055   2.2250   1.0440   2.8770   1.2270 -0.6525000 1.611000 
1 1 1   15   21   18 o   3.4610   0.8197   3.3700   1.1570   3.5520   1.1620 -0.1820000 1.639000 
1 1 1   15   21   19 o   4.1140   0.8168   3.9050   1.1710   4.3240   1.1390 -0.4196000 1.634000 
1 1 1   15   21   20 o   1.9840   0.6595   2.0830   0.9640   1.8850   0.9004 0.1977000 1.319000 
1 1 1   15   21   21 o   6.0820   0.6887   6.1140   0.8948   6.0500   1.0470 0.6387000E-01 1.377000 
1 1 1   15   21   22 o   3.2580   0.9049   4.0840   1.3950   2.4310   1.1530 1.654000 1.810000 
1 1 1   15   21   23 o   2.6690   1.2090   2.6690   1.2090  ?   ?       ?      ? 
1 1 1   15   23    0 o   11.300   0.2833   11.590   0.3931   11.020   0.4081 0.5702000 0.5666000 
1 1 1   15   23    1 o   2.5770   0.7256   2.4560   1.0120   2.6990   1.0400 -0.2435000 1.451000 
1 1 1   15   23    2 o   2.8670   0.7273   2.3620   0.9956   3.3720   1.0600 -1.010000 1.455000 
1 1 1   15   23    3 o   14.980   0.2619   15.410   0.3954   14.550   0.3436 0.8604000 0.5238000 
1 1 1   15   23    4 o   6.1160   0.5524   5.6200   0.9146   6.6120   0.6197 -0.9922000 1.105000 
1 1 1   15   23    5 o   4.4270   0.6933   4.6240   1.0240   4.2310   0.9352 0.3931000 1.387000 
1 1 1   15   23    6 o   5.9170   0.5258   6.5460   0.7220   5.2890   0.7647 1.256000 1.052000 
1 1 1   15   23    7 o   3.9610   0.7424   4.5190   1.0580   3.4030   1.0410 1.116000 1.485000 
1 1 1   15   23    8 o   6.5790   0.4845   6.6520   0.7418   6.5050   0.6233 0.1472000 0.9689000 
1 1 1   15   23    9 o   2.6530   0.7441   2.9930   1.1330   2.3130   0.9650 0.6809000 1.488000 
1 1 1   15   23   10 o   3.4700   0.7723   3.2710   1.1680   3.6680   1.0110 -0.3965000 1.545000 
1 1 1   15   23   11 o   3.5850   0.7775   4.7580   1.1650   2.4120   1.0300 2.347000 1.555000 
1 1 1   15   23   12 f   3.6240   0.8121   4.3220   1.1950   2.9250   1.1000 1.397000 1.624000 
1 1 1   15   23   13 o   11.910   0.3104   12.020   0.4700   11.800   0.4055 0.2266000 0.6208000 
1 1 1   15   23   14 o   4.0630   0.8686   4.2040   1.2630   3.9230   1.1930 0.2815000 1.737000 
1 1 1   15   23   15 o   2.4260   0.7416   2.5920   1.0810   2.2600   1.0160 0.3317000 1.483000 
1 1 1   15   23   16 o   4.4130   0.7869   4.8340   1.0290   3.9920   1.1910 0.8425000 1.574000 
1 1 1   15   23   17 o   6.0930   0.6235   5.6720   0.9385   6.5140   0.8211 -0.8426000 1.247000 
1 1 1   15   23   18 o   3.8140   0.8470   4.2010   1.1730   3.4270   1.2220 0.7745000 1.694000 
1 1 1   15   23   19 o   2.3770   0.7388   2.9280   1.1680   1.8260   0.9052 1.101000 1.478000 
1 1 1   15   23   20 o   3.7160   0.8448   2.2700   1.0810   5.1620   1.2990 -2.892000 1.690000 
1 1 1   15   25    0 o   12.700   0.2676   12.870   0.3727   12.530   0.3840 0.3448000 0.5351000 
1 1 1   15   25    1 o   4.6530   0.6330   4.2230   0.9631   5.0820   0.8218 -0.8586000 1.266000 
1 1 1   15   25    2 o   5.0410   0.5977   5.0340   0.8461   5.0480   0.8444 -0.1411000E-01 1.195000 
1 1 1   15   25    3 o   3.2270   0.7663   4.0760   1.1650   2.3780   0.9957 1.698000 1.533000 
1 1 1   15   25    4 o   2.7750   0.7613   2.5630   1.0910   2.9870   1.0620 -0.4240000 1.523000 
1 1 1   15   25    5 o   7.7250   0.5142   7.3290   0.8348   8.1210   0.6005 -0.7910000 1.028000 
1 1 1   15   25    6 o   5.7730   0.6672   5.5990   1.0690   5.9460   0.7988 -0.3467000 1.334000 
1 1 1   15   25    7 f   9.9520   0.4059   9.4090   0.6591   10.500   0.4738 -1.086000 0.8117000 
1 1 1   15   25    8 o   3.5270   0.8323   4.1280   1.2510   2.9250   1.0980 1.202000 1.665000 
1 1 1   15   25    9 o   3.7740   0.7275   4.8550   1.0290   2.6920   1.0290 2.163000 1.455000 
1 1 1   15   25   10 o   3.2640   0.8673   3.5200   1.2820   3.0080   1.1690 0.5124000 1.735000 
1 1 1   15   25   11 o   3.8240   0.8635   3.9470   1.2500   3.7000   1.1920 0.2465000 1.727000 
1 1 1   15   25   12 o   4.3740   0.7070   5.0390   0.9567   3.7090   1.0410 1.329000 1.414000 
1 1 1   15   25   13 o   5.6370   0.5952   6.1700   0.8142   5.1050   0.8683 1.064000 1.190000 
1 1 1   15   25   14 o   5.5360   0.6163   5.9000   0.8725   5.1730   0.8707 0.7278000 1.233000 
1 1 1   15   25   15 o   1.8860   0.6298   1.7040   0.8374   2.0680   0.9411 -0.3638000 1.260000 
1 1 1   15   25   16 o   2.4050   0.7308   1.9000   0.9104   2.9090   1.1430 -1.009000 1.462000 
1 1 1   15   25   17 o   2.1030   0.7171   2.0650   1.0060   2.1410   1.0220 -0.7627000E-01 1.434000 
1 1 1   15   25   18 o   2.4160   0.8082   2.1950   1.0550   2.6380   1.2250 -0.4424000 1.616000 
1 1 1   15   27    0 o   2.5810   0.7754   2.6940   1.1750   2.4680   1.0120 0.2263000 1.551000 
1 1 1   15   27    1 o   9.6490   0.3322   9.3810   0.4878   9.9170   0.4511 -0.5361000 0.6644000 
1 1 1   15   27    2 o   6.7150   0.4606   6.7030   0.6626   6.7270   0.6401 -0.2360000E-01 0.9213000 
1 1 1   15   27    3 o   2.4780   0.7458   2.6930   1.1280   2.2640   0.9761 0.4294000 1.492000 
1 1 1   15   27    4 o   8.1630   0.5104   7.7860   0.8196   8.5390   0.6085 -0.7537000 1.021000 
1 1 1   15   27    5 o   3.2560   0.7710   2.2200   1.0430   4.2930   1.1360 -2.073000 1.542000 
1 1 1   15   27    6 o   3.3880   0.8689   3.7770   1.2900   2.9990   1.1650 0.7776000 1.738000 
1 1 1   15   27    7 o   2.2730   0.6975   2.1010   0.9728   2.4450   0.9999 -0.3436000 1.395000 
1 1 1   15   27    8 o   4.8950   0.6776   5.8540   0.8876   3.9360   1.0240 1.918000 1.355000 
1 1 1   15   27    9 o   3.2860   0.7829   2.8900   1.1440   3.6830   1.0690 -0.7930000 1.566000 
1 1 1   15   27   10 o   2.4530   0.7325   2.8970   1.1400   2.0100   0.9195 0.8872000 1.465000 
1 1 1   15   27   11 o   7.9190   0.4659   8.1140   0.6493   7.7230   0.6683 0.3913000 0.9318000 
1 1 1   15   27   12 o   1.9130   0.6418   2.1340   0.9802   1.6930   0.8287 0.4407000 1.284000 
1 1 1   15   27   13 o   1.6860   0.5850   1.5640   0.7772   1.8080   0.8746 -0.2438000 1.170000 
1 1 1   15   27   14 o   2.2480   0.7323   2.0670   1.0030   2.4290   1.0670 -0.3621000 1.465000 
1 1 1   15   29    0 o   3.2070   0.7787   2.9210   1.1050   3.4930   1.0970 -0.5725000 1.557000 
1 1 1   15   29    1 o   2.0910   0.6770   1.9340   0.9281   2.2480   0.9859 -0.3133000 1.354000 
1 1 1   15   29    2 o   1.8620   0.6399   1.9580   0.9613   1.7670   0.8448 0.1911000 1.280000 
1 1 1   15   29    3 o   2.3880   0.7833   2.5000   1.2120   2.2770   0.9927 0.2226000 1.567000 
1 1 1   15   29    4 o   3.1720   0.8380   3.6250   1.2540   2.7190   1.1120 0.9055000 1.676000 
1 1 1   15   29    5 o   2.1450   0.6956   1.9730   0.9393   2.3170   1.0260 -0.3435000 1.391000 
1 1 1   15   29    6 o   2.0060   0.6659   2.1040   0.9778   1.9090   0.9042 0.1944000 1.332000 
1 1 1   15   29    7 o   2.5840   0.7638   2.9130   1.1490   2.2560   1.0060 0.6570000 1.528000 
1 1 1   15   29    8 o   4.0840   0.7074   2.8420   1.1480   5.3250   0.8265 -2.483000 1.415000 
1 1 1   15   29    9 o   2.6540   0.7601   2.5010   1.0710   2.8070   1.0790 -0.3061000 1.520000 
1 1 1   15   29   10 o   4.4560   1.6780  ?   ?    4.4560   1.6780      ?      ? 
1 1 1   16    0    0 o   55.800   0.5584   55.800   0.5584   55.800   0.5584 0.000000 0.000000 
1 1 1   16    0    1 o   62.750   0.8880   62.750   0.8880   62.750   0.8880 0.000000 0.000000 
1 1 1   16    0    2 o   51.470   0.4249   51.470   0.4249   51.470   0.4249 0.000000 0.000000 
1 1 1   16    0    3 o   60.390   0.4955   60.390   0.4955   60.390   0.4955 0.000000 0.000000 
1 1 1   16    0    4 o   7.5540   0.2589   7.5540   0.2589   7.5540   0.2589 0.000000 0.000000 
1 1 1   16    0    5 o   19.040   0.2086   19.040   0.2086   19.040   0.2086 0.000000 0.000000 
1 1 1   16    0    6 o   19.170   0.3856   19.170   0.3856   19.170   0.3856 0.000000 0.000000 
1 1 1   16    0    7 o   3.4180   0.9882   3.4180   0.9882   3.4180   0.9882 0.000000 0.000000 
1 1 1   16    0    8 o   5.5630   0.4445   5.5630   0.4445   5.5630   0.4445 0.000000 0.000000 
1 1 1   16    0    9 o   1.0150   0.7069   1.0150   0.7069   1.0150   0.7069 0.000000 0.000000 
1 1 1   16    0   10 o   4.4670   0.6618   4.4670   0.6618   4.4670   0.6618 0.000000 0.000000 
1 1 1   16    0   11 o   20.530   0.2572   20.530   0.2572   20.530   0.2572 0.000000 0.000000 
1 1 1   16    0   12 o   18.290   0.2711   18.290   0.2711   18.290   0.2711 0.000000 0.000000 
1 1 1   16    0   13 o   16.800   0.2951   16.800   0.2951   16.800   0.2951 0.000000 0.000000 
1 1 1   16    0   14 f   30.570   0.3166   30.570   0.3166   30.570   0.3166 0.000000 0.000000 
1 1 1   16    0   15 o   3.3220   1.4340   3.3220   1.4340   3.3220   1.4340 0.000000 0.000000 
1 1 1   16    0   16 o   4.7460   1.0640   4.7460   1.0640   4.7460   1.0640 0.000000 0.000000 
1 1 1   16    0   17 o   4.2430   1.2670   4.2430   1.2670   4.2430   1.2670 0.000000 0.000000 
1 1 1   16    0   18 o   36.320   0.3606   36.320   0.3606   36.320   0.3606 0.000000 0.000000 
1 1 1   16    0   19 o   10.670   0.8769   10.670   0.8769   10.670   0.8769 0.000000 0.000000 
1 1 1   16    0   20 o   1.5810   1.0560   1.5810   1.0560   1.5810   1.0560 0.000000 0.000000 
1 1 1   16    0   21 o   7.3510   0.6583   7.3510   0.6583   7.3510   0.6583 0.000000 0.000000 
1 1 1   16    0   22 o   1.6780   1.0970   1.6780   1.0970   1.6780   1.0970 0.000000 0.000000 
1 1 1   16    0   23 o   2.8980   1.3930   2.8980   1.3930   2.8980   1.3930 0.000000 0.000000 
1 1 1   16    0   24 o   2.3950   1.3120   2.3950   1.3120   2.3950   1.3120 0.000000 0.000000 
1 1 1   16    0   25 o   6.2320   0.8173   6.2320   0.8173   6.2320   0.8173 0.000000 0.000000 
1 1 1   16    0   26 f   5.5600   0.9531   5.5600   0.9531   5.5600   0.9531 0.000000 0.000000 
1 1 1   16    0   27 o   2.4520   1.4160   2.4520   1.4160   2.4520   1.4160 0.000000 0.000000 
1 1 1   16    0   28 o   2.9040   1.4020   2.9040   1.4020   2.9040   1.4020 0.000000 0.000000 
1 1 1   16    0   29 o   1.1690   0.8399   1.1690   0.8399   1.1690   0.8399 0.000000 0.000000 
1 1 1   16    0   30 o   2.7160   1.4170   2.7160   1.4170   2.7160   1.4170 0.000000 0.000000 
1 1 1   16    0   31 o   3.2530   1.8210   3.2530   1.8210   3.2530   1.8210 0.000000 0.000000 
1 1 1   16    2    0 o   26.000   0.1763   26.200   0.2722   25.790   0.2240 0.4058000 0.3525000 
1 1 1   16    2    1 o   23.320   0.1851   23.330   0.2622   23.310   0.2614 0.1766000E-01 0.3702000 
1 1 1   16    2    2 o   15.890   0.1586   15.600   0.2264   16.180   0.2221 -0.5785000 0.3171000 
1 1 1   16    2    3 o   19.240   0.1400   19.550   0.1994   18.920   0.1964 0.6307000 0.2799000 
1 1 1   16    2    4 o   15.190   0.1369   15.440   0.1943   14.940   0.1929 0.5068000 0.2738000 
1 1 1   16    2    5 o   38.830   0.2353   38.760   0.3323   38.900   0.3333 -0.1495000 0.4707000 
1 1 1   16    2    6 o   11.480   0.2395   11.360   0.2884   11.610   0.3825 -0.2543000 0.4791000 
1 1 1   16    2    7 f   19.300   0.1600   19.480   0.2256   19.110   0.2269 0.3720000 0.3200000 
1 1 1   16    2    8 o   12.000   0.1759   12.230   0.2460   11.760   0.2515 0.4695000 0.3518000 
1 1 1   16    2    9 o   40.090   0.2485   39.830   0.3493   40.340   0.3536 -0.5107000 0.4970000 
1 1 1   16    2   10 o   19.600   0.1640   19.710   0.2143   19.490   0.2483 0.2177000 0.3279000 
1 1 1   16    2   11 o   7.0610   0.2896   7.1410   0.3804   6.9800   0.4368 0.1606000 0.5792000 
1 1 1   16    2   12 o   5.9820   0.3681   6.1200   0.4711   5.8430   0.5658 0.2769000 0.7362000 
1 1 1   16    2   13 o   40.210   0.2420   40.170   0.3163   40.260   0.3664 -0.9053000E-01 0.4840000 
1 1 1   16    2   14 o   20.800   0.2025   20.930   0.2836   20.670   0.2892 0.2570000 0.4050000 
1 1 1   16    2   15 f   9.5970   0.3679   9.7220   0.4588   9.4710   0.5751 0.2507000 0.7357000 
1 1 1   16    2   16 o   22.410   0.2052   22.200   0.2685   22.630   0.3103 -0.4357000 0.4104000 
1 1 1   16    2   17 o   19.840   0.2142   19.810   0.2785   19.870   0.3254 -0.5352000E-01 0.4283000 
1 1 1   16    2   18 o   6.0790   0.5114   5.3010   0.7641   6.8570   0.6800 -1.555000 1.023000 
1 1 1   16    2   19 o   8.9900   0.5755   8.8280   0.6827   9.1520   0.9268 -0.3234000 1.151000 
1 1 1   16    2   20 o   3.4520   0.7684   3.4800   1.0480   3.4250   1.1240 0.5433000E-01 1.537000 
1 1 1   16    2   21 o   2.5120   0.6984   3.0330   1.0480   1.9920   0.9239 1.041000 1.397000 
1 1 1   16    2   22 o   6.1240   0.5326   7.0420   0.5729   5.2060   0.8980 1.836000 1.065000 
1 1 1   16    2   23 o   2.5120   0.7156   2.8550   1.0440   2.1700   0.9786 0.6853000 1.431000 
1 1 1   16    2   24 o   6.0360   0.5098   6.0520   0.6738   6.0200   0.7652 0.3235000E-01 1.020000 
1 1 1   16    2   25 o   2.9170   0.7650   2.9990   1.0590   2.8360   1.1050 0.1628000 1.530000 
1 1 1   16    2   26 o   3.2740   0.7825   3.0200   1.0610   3.5290   1.1500 -0.5086000 1.565000 
1 1 1   16    2   27 o   4.9910   0.8219   4.6670   1.2210   5.3150   1.1010 -0.6477000 1.644000 
1 1 1   16    2   28 o   4.7770   0.7418   5.0160   1.0280   4.5380   1.0700 0.4781000 1.484000 
1 1 1   16    2   29 o   2.4270   0.7511   2.4620   1.0730   2.3910   1.0510 0.7098000E-01 1.502000 
1 1 1   16    2   30 o   2.9570   0.8092   2.4780   1.0850   3.4350   1.2010 -0.9573000 1.618000 
1 1 1   16    2   31 o   1.8980   0.6576   1.7430   0.8660   2.0530   0.9899 -0.3108000 1.315000 
1 1 1   16    4    0 o   39.070   0.2615   39.250   0.4058   38.880   0.3299 0.3645000 0.5230000 
1 1 1   16    4    1 o   32.760   0.2001   32.460   0.2806   33.050   0.2854 -0.5905000 0.4002000 
1 1 1   16    4    2 o   13.250   0.1343   13.350   0.1891   13.150   0.1907 0.2029000 0.2685000 
1 1 1   16    4    3 o   16.410   0.1624   15.970   0.1977   16.850   0.2576 -0.8825000 0.3247000 
1 1 1   16    4    4 o   39.450   0.2400   39.910   0.3424   39.000   0.3364 0.9098000 0.4800000 
1 1 1   16    4    5 o   42.400   0.2850   42.700   0.3656   42.090   0.4373 0.6099000 0.5701000 
1 1 1   16    4    6 o   26.640   0.2252   26.840   0.3199   26.440   0.3170 0.4051000 0.4503000 
1 1 1   16    4    7 f   21.200   0.1673   21.250   0.2377   21.150   0.2356 0.9715000E-01 0.3347000 
1 1 1   16    4    8 o   15.950   0.1687   15.840   0.2380   16.070   0.2391 -0.2327000 0.3374000 
1 1 1   16    4    9 o   20.750   0.1981   21.010   0.2481   20.500   0.3090 0.5079000 0.3962000 
1 1 1   16    4   10 o   33.140   0.2197   33.310   0.3117   32.980   0.3096 0.3319000 0.4393000 
1 1 1   16    4   11 o   36.100   0.2357   36.320   0.3351   35.870   0.3314 0.4455000 0.4713000 
1 1 1   16    4   12 o   24.250   0.1988   24.310   0.2835   24.190   0.2787 0.1233000 0.3976000 
1 1 1   16    4   13 o   3.2880   0.7173   3.2090   1.0180   3.3680   1.0110 -0.1592000 1.435000 
1 1 1   16    4   14 o   32.300   0.3447   32.430   0.5603   32.170   0.4016 0.2647000 0.6893000 
1 1 1   16    4   15 o   9.7300   0.3088   9.3650   0.4116   10.090   0.4604 -0.7292000 0.6176000 
1 1 1   16    4   16 o   23.060   0.2078   22.780   0.2703   23.340   0.3158 -0.5532000 0.4156000 
1 1 1   16    4   17 o   24.790   0.2101   24.680   0.2750   24.890   0.3177 -0.2154000 0.4202000 
1 1 1   16    4   18 o   12.080   0.2822   12.070   0.3631   12.100   0.4320 -0.3517000E-01 0.5643000 
1 1 1   16    4   19 o   4.1880   1.4880  ?   ?    4.1880   1.4880      ?      ? 
1 1 1   16    4   20 o   11.680   0.2851   11.750   0.3717   11.610   0.4323 0.1359000 0.5701000 
1 1 1   16    4   21 o   1.6730   0.5689   1.7740   0.8350   1.5720   0.7730 0.2012000 1.138000 
1 1 1   16    4   22 o   8.2240   0.3796   8.8490   0.4540   7.6000   0.6086 1.249000 0.7593000 
1 1 1   16    4   23 o   6.6360   0.4649   6.7430   0.5926   6.5280   0.7166 0.2152000 0.9299000 
1 1 1   16    4   24 o   5.2720   0.5788   4.8840   0.8273   5.6600   0.8097 -0.7753000 1.158000 
1 1 1   16    4   25 o   4.0720   0.7290   4.0280   0.9802   4.1150   1.0790 -0.8631000E-01 1.458000 
1 1 1   16    4   26 o   6.5310   0.6313   6.9360   0.8149   6.1260   0.9643 0.8100000 1.263000 
1 1 1   16    4   27 o   7.9010   0.4204   8.0780   0.5417   7.7230   0.6431 0.3557000 0.8408000 
1 1 1   16    4   28 o   3.9730   0.7691   4.1680   1.0160   3.7770   1.1550 0.3903000 1.538000 
1 1 1   16    4   29 o   2.6520   0.7583   2.2710   0.9950   3.0340   1.1450 -0.7624000 1.517000 
1 1 1   16    4   30 o   2.4870   0.8321   2.2500   1.0750   2.7240   1.2700 -0.4736000 1.664000 
1 1 1   16    4   31 o   3.2380   0.8020   3.5850   1.1190   2.8910   1.1500 0.6932000 1.604000 
1 1 1   16    6    0 o   23.220   0.1511   23.300   0.2268   23.130   0.1998 0.1695000 0.3023000 
1 1 1   16    6    1 f   27.090   0.1680   27.270   0.2539   26.910   0.2200 0.3552000 0.3359000 
1 1 1   16    6    2 o   50.120   0.3318   49.770   0.4179   50.480   0.5155 -0.7128000 0.6636000 
1 1 1   16    6    3 o   11.550   0.1742   11.190   0.2386   11.900   0.2538 -0.7020000 0.3483000 
1 1 1   16    6    4 o   20.660   0.2046   21.030   0.2891   20.300   0.2897 0.7359000 0.4092000 
1 1 1   16    6    5 o   38.290   0.2933   37.950   0.4116   38.640   0.4179 -0.6887000 0.5866000 
1 1 1   16    6    6 o   14.410   0.1697   14.580   0.2396   14.230   0.2403 0.3561000 0.3394000 
1 1 1   16    6    7 o   13.610   0.1796   13.720   0.2565   13.500   0.2515 0.2202000 0.3593000 
1 1 1   16    6    8 o   23.370   0.1832   23.430   0.2614   23.300   0.2567 0.1289000 0.3664000 
1 1 1   16    6    9 o   25.450   0.2166   25.580   0.2766   25.310   0.3336 0.2641000 0.4333000 
1 1 1   16    6   10 o   36.860   0.2398   36.870   0.3404   36.860   0.3379 0.7942000E-02 0.4797000 
1 1 1   16    6   11 f   40.090   0.2567   40.050   0.3637   40.120   0.3625 -0.6657000E-01 0.5135000 
1 1 1   16    6   12 o   22.010   0.2028   21.830   0.2885   22.190   0.2850 -0.3625000 0.4055000 
1 1 1   16    6   13 o   31.970   0.2520   32.170   0.3876   31.780   0.3222 0.3954000 0.5040000 
1 1 1   16    6   14 o   24.100   0.2732   23.970   0.3915   24.230   0.3812 -0.2570000 0.5464000 
1 1 1   16    6   15 o   24.880   0.2240   24.630   0.3170   25.130   0.3165 -0.4944000 0.4480000 
1 1 1   16    6   16 o   13.780   0.2680   14.010   0.3744   13.550   0.3835 0.4637000 0.5360000 
1 1 1   16    6   17 o   18.050   0.2385   17.480   0.3459   18.610   0.3286 -1.129000 0.4771000 
1 1 1   16    6   18 o   15.610   0.3726   14.960   0.4633   16.250   0.5836 -1.293000 0.7452000 
1 1 1   16    6   19 o   3.5650   0.8244   2.8470   1.1020   4.2830   1.2260 -1.437000 1.649000 
1 1 1   16    6   20 o   6.3680   0.4853   6.1860   0.6686   6.5510   0.7036 -0.3651000 0.9707000 
1 1 1   16    6   21 o   9.9410   0.3290   10.260   0.4202   9.6270   0.5063 0.6280000 0.6580000 
1 1 1   16    6   22 o   11.060   0.2991   10.950   0.3994   11.170   0.4453 -0.2238000 0.5982000 
1 1 1   16    6   23 o   4.9440   0.6274   5.0020   0.8147   4.8870   0.9544 0.1143000 1.255000 
1 1 1   16    6   24 o   6.9720   0.4439   6.4660   0.6257   7.4780   0.6299 -1.012000 0.8879000 
1 1 1   16    6   25 o   2.4600   0.7188   2.4010   0.9919   2.5200   1.0410 -0.1193000 1.438000 
1 1 1   16    6   26 o   3.7830   0.8918   3.8160   1.2440   3.7490   1.2780 0.6706000E-01 1.784000 
1 1 1   16    6   27 o   8.0520   0.4140   7.4870   0.5919   8.6170   0.5791 -1.129000 0.8281000 
1 1 1   16    6   28 o   3.5170   0.7738   4.0660   1.0540   2.9680   1.1330 1.098000 1.548000 
1 1 1   16    6   29 o   2.9660   0.7968   3.0180   1.1100   2.9140   1.1440 0.1043000 1.594000 
1 1 1   16    6   30 o   2.8330   0.8837   2.1290   1.0260   3.5370   1.4390 -1.409000 1.767000 
1 1 1   16    6   31 o   1.8550   0.6465   1.8140   0.8924   1.8970   0.9357 -0.8243000E-01 1.293000 
1 1 1   16    8    0 o   21.930   0.1469   21.820   0.2070   22.050   0.2083 -0.2294000 0.2937000 
1 1 1   16    8    1 o   13.950   0.1548   13.980   0.2304   13.910   0.2069 0.7177000E-01 0.3096000 
1 1 1   16    8    2 o   28.930   0.2200   28.230   0.3355   29.630   0.2847 -1.401000 0.4400000 
1 1 1   16    8    3 o   27.820   0.2373   28.080   0.3385   27.560   0.3328 0.5216000 0.4747000 
1 1 1   16    8    4 o   17.350   0.1687   17.770   0.2392   16.940   0.2381 0.8305000 0.3374000 
1 1 1   16    8    5 o   6.1910   0.3073   5.9910   0.4469   6.3910   0.4220 -0.4000000 0.6146000 
1 1 1   16    8    6 o   3.2060   0.5655   3.9740   0.7091   2.4380   0.8812 1.536000 1.131000 
1 1 1   16    8    7 o   36.130   0.2347   36.280   0.3320   35.970   0.3317 0.3071000 0.4693000 
1 1 1   16    8    8 o   31.140   0.2149   31.190   0.3055   31.080   0.3025 0.1184000 0.4299000 
1 1 1   16    8    9 o   25.850   0.2003   26.010   0.2855   25.690   0.2809 0.3217000 0.4005000 
1 1 1   16    8   10 o   9.7390   0.2781   10.190   0.3944   9.2850   0.3922 0.9067000 0.5562000 
1 1 1   16    8   11 o   27.540   0.2152   27.610   0.3080   27.470   0.3007 0.1353000 0.4304000 
1 1 1   16    8   12 o   14.300   0.2560   14.030   0.3914   14.570   0.3301 -0.5359000 0.5120000 
1 1 1   16    8   13 o   24.710   0.2795   24.920   0.4062   24.500   0.3841 0.4254000 0.5590000 
1 1 1   16    8   14 f   14.600   0.2617   14.250   0.3792   14.950   0.3609 -0.6931000 0.5235000 
1 1 1   16    8   15 o   14.520   0.2671   14.860   0.3793   14.170   0.3761 0.6992000 0.5342000 
1 1 1   16    8   16 o   12.690   0.2885   12.620   0.4140   12.760   0.4020 -0.1462000 0.5770000 
1 1 1   16    8   17 o   20.420   0.2539   20.550   0.3273   20.290   0.3881 0.2614000 0.5077000 
1 1 1   16    8   18 o   10.670   0.4201   11.390   0.5944   9.9470   0.5937 1.446000 0.8402000 
1 1 1   16    8   19 o   3.1610   0.7868   2.7670   1.1000   3.5540   1.1250 -0.7869000 1.574000 
1 1 1   16    8   20 o   9.6470   0.3572   9.6140   0.5136   9.6800   0.4965 -0.6556000E-01 0.7143000 
1 1 1   16    8   21 o   4.2290   0.7507   3.8580   1.1170   4.5990   1.0030 -0.7411000 1.501000 
1 1 1   16    8   22 o   5.9240   0.5723   6.5090   0.7139   5.3390   0.8946 1.170000 1.145000 
1 1 1   16    8   23 o   2.7820   0.7110   1.8570   0.8817   3.7060   1.1160 -1.850000 1.422000 
1 1 1   16    8   24 o   8.5010   0.3674   8.5560   0.4790   8.4470   0.5572 0.1083000 0.7347000 
1 1 1   16    8   25 o   3.5100   0.8758   2.9530   1.1860   4.0660   1.2890 -1.113000 1.752000 
1 1 1   16    8   26 o   2.1850   0.7013   2.1470   0.9832   2.2230   1.0000 -0.7654000E-01 1.403000 
1 1 1   16    8   27 o   2.5570   0.7361   2.9240   1.0890   2.1900   0.9910 0.7342000 1.472000 
1 1 1   16    8   28 o   3.0360   0.7462   2.1380   0.9626   3.9340   1.1400 -1.796000 1.492000 
1 1 1   16    8   29 o   2.8390   0.8336   2.9370   1.1600   2.7410   1.1980 0.1955000 1.667000 
1 1 1   16    8   30 o   2.2140   0.7147   2.0250   0.9384   2.4020   1.0780 -0.3766000 1.429000 
1 1 1   16   10    0 f   33.380   0.1910   33.230   0.2690   33.540   0.2712 -0.3112000 0.3820000 
1 1 1   16   10    1 o   38.120   0.2267   38.150   0.3426   38.090   0.2970 0.5602000E-01 0.4534000 
1 1 1   16   10    2 o   14.620   0.1746   14.510   0.2602   14.730   0.2329 -0.2194000 0.3492000 
1 1 1   16   10    3 f   11.120   0.2014   10.930   0.2977   11.310   0.2713 -0.3752000 0.4028000 
1 1 1   16   10    4 o   9.9170   0.2364   9.9470   0.3308   9.8880   0.3379 0.5995000E-01 0.4728000 
1 1 1   16   10    5 o   22.480   0.1882   22.690   0.2667   22.270   0.2657 0.4205000 0.3764000 
1 1 1   16   10    6 o   14.970   0.1980   15.020   0.2810   14.920   0.2790 0.9482000E-01 0.3959000 
1 1 1   16   10    7 o   23.680   0.1986   23.850   0.2819   23.510   0.2799 0.3469000 0.3973000 
1 1 1   16   10    8 o   6.7160   0.3953   7.0200   0.5265   6.4110   0.5899 0.6089000 0.7907000 
1 1 1   16   10    9 o   31.530   0.2259   31.720   0.3215   31.340   0.3175 0.3817000 0.4518000 
1 1 1   16   10   10 o   21.430   0.2259   21.330   0.3438   21.540   0.2931 -0.2100000 0.4518000 
1 1 1   16   10   11 o   26.320   0.2760   26.080   0.3939   26.560   0.3866 -0.4885000 0.5519000 
1 1 1   16   10   12 o   22.060   0.2836   22.420   0.4021   21.700   0.3999 0.7219000 0.5671000 
1 1 1   16   10   13 o   36.840   0.2582   36.710   0.3659   36.970   0.3645 -0.2566000 0.5165000 
1 1 1   16   10   14 o   2.2650   0.7077   2.0500   0.9548   2.4800   1.0450 -0.4305000 1.415000 
1 1 1   16   10   15 o   12.770   0.2897   12.560   0.4234   12.980   0.3957 -0.4177000 0.5795000 
1 1 1   16   10   16 o   13.470   0.3075   13.580   0.3985   13.370   0.4684 0.2108000 0.6150000 
1 1 1   16   10   17 o   8.9150   0.5055   8.6250   0.8065   9.2050   0.6098 -0.5800000 1.011000 
1 1 1   16   10   18 o   25.420   0.2348   25.550   0.3380   25.290   0.3260 0.2535000 0.4696000 
1 1 1   16   10   19 o   7.3090   0.4644   7.6650   0.6561   6.9530   0.6573 0.7123000 0.9287000 
1 1 1   16   10   20 o   3.3580   0.7982   3.4590   1.1520   3.2560   1.1050 0.2034000 1.596000 
1 1 1   16   10   21 o   6.7630   0.4927   6.5820   0.7334   6.9440   0.6581 -0.3615000 0.9854000 
1 1 1   16   10   22 o   5.3670   0.6252   5.2360   0.9162   5.4980   0.8510 -0.2624000 1.250000 
1 1 1   16   10   23 o   2.6110   0.7525   2.3760   1.0270   2.8460   1.1000 -0.4700000 1.505000 
1 1 1   16   10   24 o   3.8690   0.7876   3.3020   1.1960   4.4360   1.0260 -1.133000 1.575000 
1 1 1   16   10   25 f   2.7600   0.8287   2.3600   1.0840   3.1590   1.2530 -0.7997000 1.657000 
1 1 1   16   10   26 o   5.2810   0.6817   5.3760   0.9602   5.1870   0.9680 0.1899000 1.363000 
1 1 1   16   10   27 f   3.0730   0.7865   2.5790   1.0550   3.5680   1.1670 -0.9891000 1.573000 
1 1 1   16   10   28 o   2.3270   0.7130   2.6590   1.0720   1.9950   0.9398 0.6642000 1.426000 
1 1 1   16   10   29 o   2.5660   0.8376   2.5680   1.1630   2.5650   1.2060 0.2554000E-02 1.675000 
1 1 1   16   12    0 o   30.860   0.1881   30.920   0.2654   30.790   0.2666 0.1316000 0.3761000 
1 1 1   16   12    1 f   27.840   0.1966   28.480   0.2569   27.200   0.2976 1.286000 0.3932000 
1 1 1   16   12    2 o   34.530   0.2175   34.680   0.3282   34.370   0.2854 0.3049000 0.4349000 
1 1 1   16   12    3 o   20.700   0.1836   20.940   0.2755   20.470   0.2429 0.4729000 0.3673000 
1 1 1   16   12    4 o   14.960   0.1972   14.450   0.2963   15.460   0.2603 -1.015000 0.3944000 
1 1 1   16   12    5 o   18.220   0.2042   18.130   0.2860   18.300   0.2916 -0.1661000 0.4085000 
1 1 1   16   12    6 o   19.130   0.2052   18.940   0.2909   19.320   0.2896 -0.3768000 0.4104000 
1 1 1   16   12    7 o   13.530   0.2537   13.420   0.3857   13.630   0.3296 -0.2072000 0.5073000 
1 1 1   16   12    8 o   25.920   0.2341   25.940   0.3572   25.910   0.3029 0.2728000E-01 0.4683000 
1 1 1   16   12    9 o   15.340   0.2781   15.740   0.4245   14.940   0.3594 0.8018000 0.5562000 
1 1 1   16   12   10 o   25.080   0.2835   25.330   0.3968   24.830   0.4052 0.5040000 0.5671000 
1 1 1   16   12   11 f   21.360   0.2291   21.260   0.3245   21.470   0.3236 -0.2067000 0.4583000 
1 1 1   16   12   12 o   44.140   0.2902   43.980   0.4099   44.290   0.4108 -0.3063000 0.5803000 
1 1 1   16   12   13 f   28.360   0.2347   28.360   0.3336   28.370   0.3301 -0.6338000E-02 0.4693000 
1 1 1   16   12   14 o   11.830   0.3332   12.230   0.4344   11.440   0.5054 0.7911000 0.6664000 
1 1 1   16   12   15 o   9.5460   0.5187   9.4770   0.6979   9.6150   0.7677 -0.1377000 1.037000 
1 1 1   16   12   16 f   19.480   0.2979   19.850   0.4369   19.110   0.4051 0.7465000 0.5958000 
1 1 1   16   12   17 f   7.7770   0.4221   8.1680   0.5813   7.3860   0.6120 0.7822000 0.8441000 
1 1 1   16   12   18 o   7.0240   0.4817   7.4110   0.6686   6.6370   0.6937 0.7744000 0.9634000 
1 1 1   16   12   19 o   3.3280   0.7397   4.3760   1.0950   2.2800   0.9947 2.096000 1.479000 
1 1 1   16   12   20 f   5.2990   0.6551   6.2620   0.8004   4.3360   1.0370 1.927000 1.310000 
1 1 1   16   12   21 o   3.9440   0.7846   4.2030   1.1180   3.6850   1.1010 0.5179000 1.569000 
1 1 1   16   12   22 o   2.8940   0.7685   3.3410   1.1360   2.4470   1.0360 0.8943000 1.537000 
1 1 1   16   12   23 o   6.1620   0.5698   6.2180   0.8464   6.1050   0.7631 0.1124000 1.140000 
1 1 1   16   12   24 o   2.6830   0.8267   2.4500   1.1050   2.9150   1.2300 -0.4648000 1.653000 
1 1 1   16   12   25 o   3.2010   0.8028   3.5910   1.1610   2.8110   1.1090 0.7797000 1.606000 
1 1 1   16   12   26 o   2.8200   0.8019   2.9070   1.1530   2.7320   1.1150 0.1747000 1.604000 
1 1 1   16   12   27 o   2.8490   0.8025   2.9620   1.1410   2.7370   1.1290 0.2251000 1.605000 
1 1 1   16   12   28 o   2.3960   0.7980   2.2870   1.0760   2.5060   1.1790 -0.2194000 1.596000 
1 1 1   16   12   29 o   2.6050   0.8157   2.4150   1.0860   2.7950   1.2170 -0.3802000 1.631000 
1 1 1   16   14    0 o   4.0730   0.5833   4.0320   0.8322   4.1150   0.8176 -0.8273000E-01 1.167000 
1 1 1   16   14    1 o   29.420   0.1913   29.460   0.2697   29.390   0.2714 0.7299000E-01 0.3827000 
1 1 1   16   14    2 o   45.080   0.3176   45.200   0.4907   44.960   0.4033 0.2384000 0.6352000 
1 1 1   16   14    3 o   19.640   0.2260   19.890   0.3420   19.390   0.2954 0.5031000 0.4519000 
1 1 1   16   14    4 o   6.2780   0.4839   7.0350   0.6488   5.5200   0.7182 1.516000 0.9679000 
1 1 1   16   14    5 o   24.980   0.2335   25.150   0.3555   24.800   0.3027 0.3475000 0.4669000 
1 1 1   16   14    6 o   3.6220   0.6938   2.9650   1.0730   4.2800   0.8801 -1.314000 1.388000 
1 1 1   16   14    7 o   24.090   0.3941   24.090   0.3941  ?   ?       ?      ? 
1 1 1   16   14    8 o   7.5360   0.5719   7.8240   0.7528   7.2470   0.8611 0.5771000 1.144000 
1 1 1   16   14    9 o   23.130   0.2276   23.130   0.3259   23.140   0.3179 -0.1238000E-01 0.4553000 
1 1 1   16   14   10 o   14.260   0.2713   13.770   0.3929   14.750   0.3744 -0.9867000 0.5427000 
1 1 1   16   14   11 o   5.5390   0.6290   5.4610   0.9187   5.6180   0.8594 -0.1570000 1.258000 
1 1 1   16   14   12 o   21.810   0.2547   22.210   0.3373   21.410   0.3819 0.8004000 0.5095000 
1 1 1   16   14   13 o   10.540   0.3595   10.270   0.4920   10.800   0.5243 -0.5268000 0.7190000 
1 1 1   16   14   14 o   8.7520   0.5107   8.8140   0.7463   8.6900   0.6973 0.1248000 1.021000 
1 1 1   16   14   15 o   12.020   0.3068   12.100   0.4381   11.930   0.4296 0.1655000 0.6136000 
1 1 1   16   14   16 o   3.7850   0.7394   4.7280   1.0030   2.8410   1.0870 1.887000 1.479000 
1 1 1   16   14   17 o   7.6790   0.4352   7.9190   0.6148   7.4390   0.6162 0.4808000 0.8704000 
1 1 1   16   14   18 o   3.3990   0.7590   4.1280   1.0790   2.6710   1.0680 1.457000 1.518000 
1 1 1   16   14   19 o   6.3530   0.5265   6.0780   0.7996   6.6270   0.6852 -0.5488000 1.053000 
1 1 1   16   14   20 o   11.300   0.3261   11.490   0.4677   11.120   0.4546 0.3744000 0.6523000 
1 1 1   16   14   21 o   2.8100   0.7591   2.3910   1.0320   3.2300   1.1130 -0.8391000 1.518000 
1 1 1   16   14   22 o   2.5320   0.7351   2.1400   0.9810   2.9230   1.0950 -0.7828000 1.470000 
1 1 1   16   14   23 o   3.3060   0.8983   3.6510   1.3080   2.9600   1.2310 0.6909000 1.797000 
1 1 1   16   14   24 o   3.4350   0.8097   2.9630   1.1430   3.9080   1.1470 -0.9455000 1.619000 
1 1 1   16   14   25 o   5.2980   0.6959   4.0860   1.1610   6.5100   0.7675 -2.424000 1.392000 
1 1 1   16   14   26 o   2.6110   0.7652   3.1260   1.1830   2.0960   0.9702 1.030000 1.530000 
1 1 1   16   14   27 f   4.3650   1.0410   4.2800   1.4280   4.4490   1.5170 -0.1691000 2.083000 
1 1 1   16   14   28 o   2.0360   0.7006   2.0180   0.9914   2.0540   0.9901 -0.3600000E-01 1.401000 
1 1 1   16   16    0 o   11.040   0.2620   11.190   0.3673   10.880   0.3738 0.3079000 0.5241000 
1 1 1   16   16    1 f   39.680   0.2310   39.640   0.3262   39.720   0.3272 -0.8077000E-01 0.4620000 
1 1 1   16   16    2 o   10.520   0.3299   10.160   0.4761   10.880   0.4567 -0.7226000 0.6597000 
1 1 1   16   16    3 o   16.790   0.2754   16.800   0.4215   16.780   0.3547 0.2035000E-01 0.5508000 
1 1 1   16   16    4 o   28.640   0.2651   28.730   0.4077   28.560   0.3388 0.1727000 0.5301000 
1 1 1   16   16    5 o   14.730   0.2440   14.530   0.3715   14.930   0.3165 -0.4024000 0.4881000 
1 1 1   16   16    6 o   27.570   0.2184   27.620   0.3299   27.530   0.2864 0.8491000E-01 0.4369000 
1 1 1   16   16    7 o   20.810   0.2206   20.910   0.3343   20.710   0.2878 0.2006000 0.4412000 
1 1 1   16   16    8 f   21.430   0.2355   21.760   0.3323   21.090   0.3339 0.6706000 0.4711000 
1 1 1   16   16    9 o   18.840   0.2702   18.580   0.3499   19.110   0.4118 -0.5245000 0.5404000 
1 1 1   16   16   10 o   6.6780   0.5792   7.3450   0.6831   6.0110   0.9356 1.334000 1.158000 
1 1 1   16   16   11 o   5.6390   0.7294   5.5310   1.1760   5.7480   0.8631 -0.2174000 1.459000 
1 1 1   16   16   12 o   7.4950   0.5934   8.0560   0.8017   6.9340   0.8752 1.122000 1.187000 
1 1 1   16   16   13 o   16.730   0.2638   16.820   0.3721   16.640   0.3740 0.1809000 0.5276000 
1 1 1   16   16   14 o   13.930   0.2851   13.960   0.4113   13.890   0.3950 0.6806000E-01 0.5702000 
1 1 1   16   16   15 f   14.210   0.2784   14.190   0.3986   14.230   0.3887 -0.3608000E-01 0.5567000 
1 1 1   16   16   16 o   6.9600   0.4829   7.1730   0.6807   6.7480   0.6852 0.4258000 0.9659000 
1 1 1   16   16   17 o   2.1170   0.6780   1.9850   0.9266   2.2500   0.9899 -0.2650000 1.356000 
1 1 1   16   16   18 o   11.060   0.3265   10.940   0.4725   11.190   0.4508 -0.2550000 0.6531000 
1 1 1   16   16   19 o   2.6970   0.7641   2.5070   1.0600   2.8860   1.1010 -0.3791000 1.528000 
1 1 1   16   16   20 o   2.3410   0.6939   1.7660   0.8560   2.9170   1.0920 -1.151000 1.388000 
1 1 1   16   16   21 o   4.9200   0.8951   3.8510   1.4340   5.9900   1.0710 -2.139000 1.790000 
1 1 1   16   16   22 o   2.5730   0.7613   2.8430   1.1350   2.3020   1.0150 0.5406000 1.523000 
1 1 1   16   16   23 o   2.6440   0.7358   1.9510   0.9235   3.3380   1.1460 -1.387000 1.472000 
1 1 1   16   16   24 o   3.3270   0.8158   2.9450   1.1460   3.7080   1.1610 -0.7638000 1.632000 
1 1 1   16   16   25 o   2.4960   0.7690   2.0500   0.9564   2.9420   1.2040 -0.8917000 1.538000 
1 1 1   16   16   26 o   2.4120   0.8000   2.5140   1.1530   2.3100   1.1100 0.2039000 1.600000 
1 1 1   16   18    0 o   10.100   0.3321   10.840   0.3930   9.3630   0.5355 1.477000 0.6642000 
1 1 1   16   18    1 o   12.140   0.2618   12.390   0.3668   11.890   0.3738 0.5060000 0.5237000 
1 1 1   16   18    2 o   17.970   0.2321   17.970   0.3540   17.970   0.3004 0.4213000E-02 0.4642000 
1 1 1   16   18    3 f   19.110   0.2302   19.130   0.3531   19.090   0.2955 0.4865000E-01 0.4604000 
1 1 1   16   18    4 o   19.430   0.2353   19.740   0.3332   19.120   0.3324 0.6252000 0.4706000 
1 1 1   16   18    5 o   19.870   0.2336   19.640   0.3350   20.100   0.3258 -0.4583000 0.4673000 
1 1 1   16   18    6 o   22.870   0.2320   23.000   0.3327   22.740   0.3234 0.2612000 0.4640000 
1 1 1   16   18    7 o   18.370   0.2309   18.540   0.3470   18.200   0.3046 0.3375000 0.4617000 
1 1 1   16   18    8 o   14.880   0.2587   15.210   0.3957   14.540   0.3333 0.6679000 0.5174000 
1 1 1   16   18    9 o   10.730   0.3998   10.770   0.6364   10.700   0.4842 0.7005000E-01 0.7997000 
1 1 1   16   18   10 f   18.240   0.2544   18.000   0.3606   18.480   0.3591 -0.4813000 0.5089000 
1 1 1   16   18   11 o   8.2710   0.4248   8.1560   0.6163   8.3850   0.5848 -0.2292000 0.8496000 
1 1 1   16   18   12 o   4.0600   0.7653   3.3040   1.1570   4.8160   1.0020 -1.512000 1.531000 
1 1 1   16   18   13 o   11.860   0.3172   11.530   0.4633   12.200   0.4333 -0.6710000 0.6343000 
1 1 1   16   18   14 o   2.5530   0.7502   2.3850   1.0400   2.7210   1.0810 -0.3360000 1.500000 
1 1 1   16   18   15 o   6.1120   0.5582   6.3000   0.7510   5.9230   0.8261 0.3770000 1.116000 
1 1 1   16   18   16 o   4.2020   0.7584   3.7110   1.1400   4.6930   1.0010 -0.9827000 1.517000 
1 1 1   16   18   17 o   6.7530   0.5368   5.8260   0.8601   7.6810   0.6426 -1.855000 1.074000 
1 1 1   16   18   18 o   7.3690   0.4757   7.0940   0.7161   7.6430   0.6264 -0.5492000 0.9514000 
1 1 1   16   18   19 o   1.9390   0.6508   2.2110   1.0160   1.6660   0.8132 0.5452000 1.302000 
1 1 1   16   18   20 o   3.2370   0.8936   2.9120   1.2080   3.5630   1.3170 -0.6518000 1.787000 
1 1 1   16   18   21 o   2.5100   0.7389   2.0570   0.9572   2.9640   1.1260 -0.9064000 1.478000 
1 1 1   16   18   22 f   2.4150   0.7431   2.3800   1.0490   2.4500   1.0520 -0.7010000E-01 1.486000 
1 1 1   16   18   23 o   2.3710   0.7396   2.2350   1.0160   2.5080   1.0760 -0.2737000 1.479000 
1 1 1   16   18   24 o   2.7750   0.8216   2.7500   1.1390   2.7990   1.1840 -0.4916000E-01 1.643000 
1 1 1   16   18   25 o   1.5590   0.7853  ?   ?    1.5590   0.7853      ?      ? 
1 1 1   16   20    0 o   23.270   0.2041   23.110   0.2878   23.420   0.2896 -0.3033000 0.4083000 
1 1 1   16   20    1 o   9.3270   0.3217   9.2040   0.4602   9.4490   0.4496 -0.2450000 0.6434000 
1 1 1   16   20    2 o   7.9180   0.3737   8.1190   0.5238   7.7180   0.5330 0.4008000 0.7473000 
1 1 1   16   20    3 o   9.5480   0.3473   10.200   0.5143   8.8930   0.4667 1.310000 0.6945000 
1 1 1   16   20    4 o   12.760   0.3558   12.930   0.5662   12.600   0.4310 0.3308000 0.7116000 
1 1 1   16   20    5 o   13.940   0.3256   14.480   0.4986   13.410   0.4188 1.072000 0.6512000 
1 1 1   16   20    6 o   22.150   0.2780   22.260   0.4390   22.050   0.3413 0.2118000 0.5560000 
1 1 1   16   20    7 o   11.000   0.3069   11.410   0.4535   10.590   0.4136 0.8184000 0.6138000 
1 1 1   16   20    8 o   17.130   0.2390   17.200   0.3597   17.050   0.3149 0.1515000 0.4781000 
1 1 1   16   20    9 o   2.7060   0.7606   2.6970   1.1060   2.7140   1.0440 -0.1716000E-01 1.521000 
1 1 1   16   20   10 o   5.7890   0.5586   6.1270   0.8158   5.4520   0.7633 0.6756000 1.117000 
1 1 1   16   20   11 o   8.3760   0.3909   8.1070   0.6199   8.6460   0.4765 -0.5390000 0.7819000 
1 1 1   16   20   12 o   7.1300   0.4869   6.8320   0.7215   7.4280   0.6540 -0.5964000 0.9738000 
1 1 1   16   20   13 o   4.8300   0.7379   4.3310   1.1300   5.3280   0.9490 -0.9976000 1.476000 
1 1 1   16   20   14 o   5.7150   0.6207   5.2780   0.9402   6.1520   0.8105 -0.8740000 1.241000 
1 1 1   16   20   15 o   9.2420   0.3941   9.1930   0.5544   9.2900   0.5603 -0.9722000E-01 0.7882000 
1 1 1   16   20   16 o   6.4600   0.5862   6.2080   0.9138   6.7130   0.7346 -0.5049000 1.172000 
1 1 1   16   20   17 o   3.1360   0.8365   3.3200   1.2360   2.9530   1.1270 0.3668000 1.673000 
1 1 1   16   20   18 o   3.7620   0.8158   5.0580   1.1850   2.4660   1.1220 2.592000 1.632000 
1 1 1   16   20   19 o   3.2360   0.8099   2.8530   1.1300   3.6190   1.1600 -0.7652000 1.620000 
1 1 1   16   20   20 o   2.8570   0.8026   2.9350   1.1480   2.7780   1.1220 0.1571000 1.605000 
1 1 1   16   20   21 o   3.4090   0.7831   2.5560   1.0850   4.2620   1.1300 -1.706000 1.566000 
1 1 1   16   20   22 o   2.2440   0.7283   2.1400   0.9909   2.3470   1.0680 -0.2071000 1.457000 
1 1 1   16   20   23 o   2.0920   0.7086   1.9140   0.9456   2.2710   1.0560 -0.3572000 1.417000 
1 1 1   16   22    0 o   8.9380   0.3425   8.2890   0.5134   9.5870   0.4535 -1.298000 0.6850000 
1 1 1   16   22    1 o   2.2010   0.6710   2.5830   1.0330   1.8190   0.8565 0.7645000 1.342000 
1 1 1   16   22    2 o   7.8450   0.3877   8.0740   0.5364   7.6160   0.5598 0.4581000 0.7753000 
1 1 1   16   22    3 o   6.3320   0.5250   6.4880   0.7896   6.1770   0.6921 0.3111000 1.050000 
1 1 1   16   22    4 o   3.7990   0.7816   4.1350   1.1400   3.4630   1.0690 0.6726000 1.563000 
1 1 1   16   22    5 o   3.4130   0.7797   3.4450   1.1480   3.3800   1.0550 0.6529000E-01 1.559000 
1 1 1   16   22    6 o   4.3120   0.6969   3.5160   1.1370   5.1070   0.8063 -1.591000 1.394000 
1 1 1   16   22    7 o   5.5950   0.5716   5.3400   0.8974   5.8510   0.7081 -0.5113000 1.143000 
1 1 1   16   22    8 o   3.8760   0.7498   3.7810   1.1300   3.9710   0.9862 -0.1902000 1.500000 
1 1 1   16   22    9 o   5.5560   0.5850   5.1510   0.9614   5.9610   0.6667 -0.8102000 1.170000 
1 1 1   16   22   10 o   4.8050   0.6576   4.9860   0.9875   4.6240   0.8687 0.3621000 1.315000 
1 1 1   16   22   11 o   2.4000   0.7228   2.6370   1.0980   2.1620   0.9408 0.4755000 1.446000 
1 1 1   16   22   12 o   3.7130   0.7629   3.3970   1.1670   4.0290   0.9825 -0.6316000 1.526000 
1 1 1   16   22   13 o   10.430   0.3929   9.9960   0.6260   10.850   0.4749 -0.8581000 0.7857000 
1 1 1   16   22   14 o   3.1480   0.7936   4.0050   1.2160   2.2910   1.0200 1.714000 1.587000 
1 1 1   16   22   15 o   3.4190   0.9335   3.4850   1.2780   3.3530   1.3610 0.1321000 1.867000 
1 1 1   16   22   16 o   3.4940   0.8246   4.7000   1.2320   2.2870   1.0960 2.413000 1.649000 
1 1 1   16   22   17 o   2.5790   0.7645   2.1540   0.9901   3.0050   1.1650 -0.8512000 1.529000 
1 1 1   16   22   18 o   7.1010   0.5252   7.2310   0.7231   6.9720   0.7619 0.2594000 1.050000 
1 1 1   16   22   19 o   1.9720   0.6600   1.8560   0.8939   2.0880   0.9713 -0.2321000 1.320000 
1 1 1   16   22   20 o   2.3340   0.7531   2.2450   1.0220   2.4220   1.1060 -0.1776000 1.506000 
1 1 1   16   22   21 f   2.3780   0.7840   2.4130   1.1320   2.3420   1.0850 0.7060000E-01 1.568000 
1 1 1   16   24    0 f   2.4320   0.7027   2.8880   1.0620   1.9750   0.9201 0.9123000 1.405000 
1 1 1   16   24    1 o   9.7620   0.3236   9.9790   0.4516   9.5450   0.4636 0.4338000 0.6472000 
1 1 1   16   24    2 o   2.3130   0.6946   2.1680   0.9558   2.4570   1.0080 -0.2893000 1.389000 
1 1 1   16   24    3 o   5.2700   0.6328   5.3190   0.9724   5.2200   0.8100 0.9963000E-01 1.266000 
1 1 1   16   24    4 f   6.0140   0.5756   7.2480   0.7276   4.7790   0.8920 2.468000 1.151000 
1 1 1   16   24    5 o   7.2010   0.4483   7.0910   0.6915   7.3110   0.5709 -0.2203000 0.8967000 
1 1 1   16   24    6 o   3.1650   0.7806   3.3420   1.1590   2.9880   1.0460 0.3543000 1.561000 
1 1 1   16   24    7 f   3.0300   0.7810   3.2460   1.1640   2.8140   1.0420 0.4318000 1.562000 
1 1 1   16   24    8 o   2.4800   0.7471   2.1680   1.0130   2.7910   1.0990 -0.6232000 1.494000 
1 1 1   16   24    9 o   5.8330   0.6460   6.4140   0.9273   5.2510   0.8997 1.163000 1.292000 
1 1 1   16   24   10 o   4.7560   0.8443   4.5120   1.2640   5.0010   1.1200 -0.4895000 1.689000 
1 1 1   16   24   11 o   2.5850   0.7464   2.4620   1.0640   2.7090   1.0470 -0.2472000 1.493000 
1 1 1   16   24   12 o   3.8440   0.8892   4.2920   1.3010   3.3970   1.2130 0.8948000 1.778000 
1 1 1   16   24   13 o   2.9970   0.8266   2.7300   1.1510   3.2630   1.1860 -0.5325000 1.653000 
1 1 1   16   24   14 o   1.7050   0.5848   1.8610   0.8888   1.5490   0.7604 0.3126000 1.170000 
1 1 1   16   24   15 o   2.3930   0.7277   2.3680   1.0380   2.4180   1.0200 -0.5029000E-01 1.455000 
1 1 1   16   24   16 o   3.8610   0.8395   4.0060   1.1800   3.7170   1.1940 0.2890000 1.679000 
1 1 1   16   24   17 o   2.6620   0.8001   2.7590   1.1280   2.5660   1.1350 0.1932000 1.600000 
1 1 1   16   24   18 o   2.9500   0.8508   2.6370   1.1110   3.2630   1.2890 -0.6264000 1.702000 
1 1 1   16   24   19 o   1.9390   0.6766   2.1220   1.0310   1.7560   0.8768 0.3663000 1.353000 
1 1 1   16   26    0 o   2.8500   0.8033   2.3400   1.1220   3.3600   1.1500 -1.020000 1.607000 
1 1 1   16   26    1 o   5.4820   0.8259   5.8260   1.3590   5.1380   0.9393 0.6872000 1.652000 
1 1 1   16   26    2 o   6.0840   0.7057   4.6410   1.2500   7.5270   0.6554 -2.887000 1.411000 
1 1 1   16   26    3 o   4.9050   0.7762   4.3220   1.2790   5.4880   0.8800 -1.166000 1.552000 
1 1 1   16   26    4 o   10.490   0.3441   10.360   0.5395   10.610   0.4273 -0.2515000 0.6882000 
1 1 1   16   26    5 o   3.2600   0.7607   2.8020   1.1270   3.7180   1.0220 -0.9169000 1.521000 
1 1 1   16   26    6 o   2.8530   0.7654   2.6880   1.1010   3.0190   1.0630 -0.3307000 1.531000 
1 1 1   16   26    7 o   2.8350   0.7775   2.2090   1.0100   3.4610   1.1830 -1.252000 1.555000 
1 1 1   16   26    8 o   2.3570   0.7398   1.9450   0.9463   2.7680   1.1370 -0.8232000 1.480000 
1 1 1   16   26    9 o   3.4120   0.8774   3.4900   1.2770   3.3340   1.2030 0.1560000 1.755000 
1 1 1   16   26   10 o   3.4230   0.7961   3.9740   1.1760   2.8710   1.0730 1.103000 1.592000 
1 1 1   16   26   11 o   2.2690   0.7073   2.7140   1.1230   1.8240   0.8603 0.8906000 1.415000 
1 1 1   16   26   12 o   4.4720   0.7313   4.0340   1.1510   4.9110   0.9030 -0.8771000 1.463000 
1 1 1   16   26   13 o   5.7190   0.6531   4.8220   1.0680   6.6150   0.7522 -1.793000 1.306000 
1 1 1   16   26   14 o   7.0250   0.5412   6.6270   0.8128   7.4230   0.7147 -0.7960000 1.082000 
1 1 1   16   26   15 f   2.5760   0.7023   3.6930   1.2010   1.4580   0.7276 2.235000 1.405000 
1 1 1   16   26   16 o   2.0990   0.7134   2.2540   1.0780   1.9440   0.9353 0.3103000 1.427000 
1 1 1   16   28    0 o   3.7290   0.8274   3.6370   1.1760   3.8200   1.1640 -0.1829000 1.655000 
1 1 1   16   28    1 o   6.1400   0.5975   6.3560   0.8222   5.9240   0.8673 0.4322000 1.195000 
1 1 1   16   28    2 o   4.5780   0.8288   5.4740   1.1610   3.6810   1.1830 1.793000 1.658000 
1 1 1   16   28    3 o   2.3360   0.7686   2.4120   1.1790   2.2590   0.9857 0.1532000 1.537000 
1 1 1   16   28    4 o   5.4960   0.9199   5.5010   1.6550   5.4920   0.8046 0.9208000E-02 1.840000 
1 1 1   16   28    5 o   3.2270   0.8238   2.8980   1.2370   3.5560   1.0890 -0.6588000 1.648000 
1 1 1   16   28    6 o   3.2850   0.7799   2.8300   1.1470   3.7410   1.0570 -0.9104000 1.560000 
1 1 1   16   28    7 o   1.5790   0.5519   1.6460   0.8134   1.5130   0.7462 0.1333000 1.104000 
1 1 1   16   28    8 o   3.1810   0.8268   3.3080   1.1910   3.0540   1.1470 0.2536000 1.654000 
1 1 1   16   28    9 o   2.2400   0.6969   1.7170   0.8401   2.7630   1.1120 -1.046000 1.394000 
1 1 1   16   28   10 o   1.8890   0.6384   1.9580   0.9276   1.8210   0.8774 0.1376000 1.277000 
1 1 1   16   28   11 o   2.2770   0.7163   2.4680   1.0740   2.0860   0.9486 0.3814000 1.433000 
1 1 1   16   28   12 o   3.8220   0.9070   4.7420   1.3750   2.9030   1.1840 1.840000 1.814000 
1 1 1   16   30    0 o   1.8010   0.6178   1.8790   0.9051   1.7230   0.8411 0.1559000 1.236000 
1 1 1   16   30    1 o   1.8540   0.6269   1.7510   0.8440   1.9560   0.9272 -0.2052000 1.254000 
1 1 1   16   30    2 o   2.3110   0.7184   2.7910   1.1470   1.8300   0.8654 0.9612000 1.437000 
1 1 1   16   30    3 o   1.9660   0.6539   2.0570   0.9667   1.8750   0.8809 0.1822000 1.308000 
1 1 1   16   30    4 o   1.9850   0.6577   2.4740   1.0870   1.4970   0.7406 0.9768000 1.315000 
1 1 1   16   30    5 o   2.5150   0.7582   2.8480   1.1680   2.1820   0.9670 0.6656000 1.516000 
1 1 1   17    1    0 o   63.180   0.5150   63.140   0.8918   63.210   0.5153 -0.6882000E-01 1.030000 
1 1 1   17    1    1 o   47.350   0.4141   47.570   0.6778   47.130   0.4758 0.4429000 0.8281000 
1 1 1   17    1    2 o   30.730   0.1881   30.740   0.2665   30.730   0.2655 0.7368000E-02 0.3762000 
1 1 1   17    1    3 o   22.630   0.1523   22.530   0.2146   22.720   0.2161 -0.1866000 0.3046000 
1 1 1   17    1    4 o   16.140   0.1383   16.210   0.1970   16.080   0.1942 0.1294000 0.2766000 
1 1 1   17    1    5 o   15.550   0.1451   15.680   0.2064   15.420   0.2040 0.2545000 0.2902000 
1 1 1   17    1    6 o   20.810   0.2412   20.820   0.2781   20.800   0.3941 0.1503000E-01 0.4823000 
1 1 1   17    1    7 o   13.700   0.1512   14.000   0.1961   13.410   0.2303 0.5882000 0.3025000 
1 1 1   17    1    8 o   11.830   0.1999   12.230   0.2540   11.430   0.3087 0.7970000 0.3998000 
1 1 1   17    1    9 o   37.590   0.2209   37.480   0.2883   37.700   0.3348 -0.2213000 0.4418000 
1 1 1   17    1   10 o   30.810   0.1943   30.740   0.2537   30.880   0.2943 -0.1333000 0.3886000 
1 1 1   17    1   11 o   19.260   0.1705   19.590   0.2251   18.930   0.2561 0.6611000 0.3410000 
1 1 1   17    1   12 o   22.910   0.1805   22.910   0.2366   22.920   0.2728 -0.3588000E-02 0.3611000 
1 1 1   17    1   13 o   19.810   0.1896   19.700   0.2461   19.930   0.2884 -0.2344000 0.3791000 
1 1 1   17    1   14 f   19.840   0.2546   19.810   0.3589   19.880   0.3611 -0.7744000E-01 0.5092000 
1 1 1   17    1   15 o   34.540   0.3439   34.540   0.3439  ?   ?       ?      ? 
1 1 1   17    1   16 o   4.5170   0.6727   4.5480   0.8853   4.4860   1.0130 0.6168000E-01 1.345000 
1 1 1   17    1   17 o   7.7320   0.4037   7.1690   0.5686   8.2950   0.5731 -1.125000 0.8073000 
1 1 1   17    1   18 o   33.890   0.2307   33.420   0.2992   34.360   0.3513 -0.9468000 0.4614000 
1 1 1   17    1   19 o   14.150   0.4325   14.970   0.4664   13.340   0.7284 1.628000 0.8649000 
1 1 1   17    1   20 o   5.8360   0.5375   6.2000   0.6398   5.4720   0.8639 0.7279000 1.075000 
1 1 1   17    1   21 o   8.2660   0.4065   8.1820   0.5791   8.3510   0.5706 -0.1683000 0.8130000 
1 1 1   17    1   22 o   2.3450   0.7110   2.0050   0.9272   2.6850   1.0780 -0.6798000 1.422000 
1 1 1   17    1   23 f   4.7910   0.6935   4.4760   1.0310   5.1070   0.9284 -0.6310000 1.387000 
1 1 1   17    1   24 o   5.0890   0.6711   5.9910   0.7876   4.1860   1.0870 1.805000 1.342000 
1 1 1   17    1   25 o   6.9980   0.5058   5.9270   0.8191   8.0700   0.5935 -2.143000 1.012000 
1 1 1   17    1   26 o   3.3770   0.8740   3.5090   1.2430   3.2450   1.2290 0.2640000 1.748000 
1 1 1   17    1   27 o   2.4550   0.7452   2.0630   0.9829   2.8480   1.1200 -0.7846000 1.490000 
1 1 1   17    1   28 o   3.6750   0.8003   4.3160   1.1230   3.0330   1.1410 1.283000 1.601000 
1 1 1   17    1   29 o   1.8830   0.6367   1.7580   0.8555   2.0070   0.9431 -0.2494000 1.273000 
1 1 1   17    1   30 o   2.4910   0.8449   2.3740   1.1590   2.6080   1.2290 -0.2339000 1.690000 
1 1 1   17    1   31 o   2.5890   0.7776   2.6710   1.1160   2.5060   1.0840 0.1649000 1.555000 
1 1 1   17    3    0 o   34.760   0.2074   34.870   0.2939   34.650   0.2927 0.2213000 0.4148000 
1 1 1   17    3    1 o   33.720   0.2512   33.600   0.3536   33.840   0.3569 -0.2399000 0.5024000 
1 1 1   17    3    2 o   4.8190   0.2351   4.8370   0.3283   4.8010   0.3367 0.3567000E-01 0.4703000 
1 1 1   17    3    3 o   20.260   0.1473   20.220   0.2089   20.310   0.2078 -0.9252000E-01 0.2946000 
1 1 1   17    3    4 o   29.840   0.1894   29.710   0.2669   29.970   0.2689 -0.2604000 0.3789000 
1 1 1   17    3    5 o   19.770   0.1685   19.660   0.2166   19.870   0.2581 -0.2010000 0.3370000 
1 1 1   17    3    6 o   20.550   0.1990   20.760   0.2814   20.340   0.2815 0.4193000 0.3980000 
1 1 1   17    3    7 o   20.820   0.1648   20.870   0.2348   20.770   0.2313 0.1043000 0.3296000 
1 1 1   17    3    8 o   3.3500   0.5293   2.8180   0.8229   3.8830   0.6661 -1.065000 1.059000 
1 1 1   17    3    9 o   11.340   0.1980   11.120   0.2804   11.570   0.2797 -0.4487000 0.3960000 
1 1 1   17    3   10 o   9.6160   0.2607   8.8950   0.3483   10.340   0.3881 -1.443000 0.5215000 
1 1 1   17    3   11 o   14.270   0.1990   14.410   0.2848   14.140   0.2781 0.2716000 0.3980000 
1 1 1   17    3   12 o   26.830   0.2044   26.800   0.2896   26.860   0.2886 -0.6797000E-01 0.4089000 
1 1 1   17    3   13 o   8.5260   0.3101   8.6590   0.4006   8.3930   0.4735 0.2661000 0.6203000 
1 1 1   17    3   14 o   33.180   0.2864   33.270   0.4042   33.090   0.4057 0.1773000 0.5727000 
1 1 1   17    3   15 o   27.470   0.2233   26.980   0.3154   27.970   0.3162 -0.9901000 0.4466000 
1 1 1   17    3   16 o   19.590   0.2136   19.950   0.2754   19.230   0.3266 0.7194000 0.4272000 
1 1 1   17    3   17 o   5.3880   0.5747   4.7240   0.8546   6.0520   0.7686 -1.329000 1.149000 
1 1 1   17    3   18 o   6.2400   0.5100   6.8830   0.5814   5.5970   0.8380 1.286000 1.020000 
1 1 1   17    3   19 o   9.2690   0.5535   9.0470   0.6660   9.4900   0.8842 -0.4429000 1.107000 
1 1 1   17    3   20 o   3.4920   0.7414   2.8490   1.0450   4.1350   1.0520 -1.286000 1.483000 
1 1 1   17    3   21 o   5.0380   0.6256   4.9320   0.8413   5.1440   0.9261 -0.2120000 1.251000 
1 1 1   17    3   22 o   3.8540   0.7455   4.0600   0.9748   3.6480   1.1280 0.4126000 1.491000 
1 1 1   17    3   23 o   9.3800   0.3435   9.1940   0.4553   9.5660   0.5143 -0.3714000 0.6869000 
1 1 1   17    3   24 o   8.2050   0.4246   8.4760   0.6007   7.9340   0.6001 0.5418000 0.8491000 
1 1 1   17    3   25 o   4.9250   0.6419   5.4900   0.7409   4.3590   1.0480 1.131000 1.284000 
1 1 1   17    3   26 o   3.7850   0.8707   3.2010   1.2030   4.3700   1.2590 -1.169000 1.741000 
1 1 1   17    3   27 o   5.5470   0.5855   5.5800   0.7531   5.5140   0.8968 0.6563000E-01 1.171000 
1 1 1   17    3   28 o   3.9780   0.7166   2.6780   1.0620   5.2780   0.9618 -2.600000 1.433000 
1 1 1   17    3   29 o   1.7840   0.6073   1.7720   0.8481   1.7960   0.8694 -0.2404000E-01 1.215000 
1 1 1   17    3   30 o   2.4900   0.8328   2.1610   1.0400   2.8190   1.3010 -0.6581000 1.666000 
1 1 1   17    3   31 o   1.6210   0.5681   1.6190   0.8017   1.6230   0.8052 -0.4167000E-02 1.136000 
1 1 1   17    5    0 o   35.870   0.2037   35.630   0.3056   36.110   0.2695 -0.4770000 0.4074000 
1 1 1   17    5    1 o   11.690   0.1410   11.730   0.1982   11.640   0.2007 0.8531000E-01 0.2821000 
1 1 1   17    5    2 o   37.770   0.2297   37.710   0.3240   37.830   0.3256 -0.1210000 0.4594000 
1 1 1   17    5    3 o   21.380   0.1714   21.110   0.2200   21.660   0.2629 -0.5536000 0.3428000 
1 1 1   17    5    4 o   18.660   0.1680   18.420   0.2168   18.890   0.2566 -0.4635000 0.3359000 
1 1 1   17    5    5 o   47.950   0.3530   47.890   0.4989   48.000   0.4996 -0.1146000 0.7060000 
1 1 1   17    5    6 o   34.480   0.2197   34.370   0.3105   34.580   0.3109 -0.2096000 0.4393000 
1 1 1   17    5    7 o   25.570   0.1838   25.580   0.2608   25.550   0.2590 0.3967000E-01 0.3676000 
1 1 1   17    5    8 o   10.420   0.2076   10.440   0.2906   10.410   0.2967 0.2269000E-01 0.4153000 
1 1 1   17    5    9 o   33.670   0.2221   34.010   0.3172   33.320   0.3110 0.6958000 0.4442000 
1 1 1   17    5   10 o   8.6400   0.2740   8.7810   0.3902   8.4990   0.3848 0.2816000 0.5480000 
1 1 1   17    5   11 o   16.500   0.1983   16.600   0.2812   16.400   0.2798 0.1960000 0.3966000 
1 1 1   17    5   12 o   51.450   0.3149   51.480   0.4462   51.420   0.4443 0.6471000E-01 0.6297000 
1 1 1   17    5   13 o   18.060   0.2269   17.990   0.3443   18.140   0.2955 -0.1491000 0.4537000 
1 1 1   17    5   14 o   34.110   0.4181  ?   ?    34.110   0.4181      ?      ? 
1 1 1   17    5   15 o   4.9840   0.6632   3.8050   1.1030   6.1640   0.7369 -2.359000 1.326000 
1 1 1   17    5   16 o   7.5110   0.4336   7.4240   0.6180   7.5990   0.6083 -0.1752000 0.8672000 
1 1 1   17    5   17 o   22.820   0.2263   22.880   0.3181   22.760   0.3219 0.1162000 0.4526000 
1 1 1   17    5   18 o   17.630   0.2678   17.350   0.3473   17.920   0.4078 -0.5700000 0.5356000 
1 1 1   17    5   19 o   8.6030   0.4363   8.0790   0.6001   9.1270   0.6335 -1.048000 0.8727000 
1 1 1   17    5   20 o   11.310   0.2969   11.660   0.3814   10.960   0.4551 0.6981000 0.5938000 
1 1 1   17    5   21 o   9.6590   0.3352   9.3640   0.4570   9.9530   0.4906 -0.5887000 0.6705000 
1 1 1   17    5   22 o   4.9300   0.6299   4.8410   0.8376   5.0190   0.9411 -0.1780000 1.260000 
1 1 1   17    5   23 f   3.9490   0.7308   3.9890   0.9811   3.9090   1.0830 0.7980000E-01 1.462000 
1 1 1   17    5   24 o   5.6870   0.5483   5.8320   0.7013   5.5430   0.8431 0.2889000 1.097000 
1 1 1   17    5   25 o   5.4660   0.5635   5.4410   0.7520   5.4910   0.8395 -0.4971000E-01 1.127000 
1 1 1   17    5   26 o   3.4570   0.8586   4.0770   1.2350   2.8380   1.1930 1.239000 1.717000 
1 1 1   17    5   27 o   4.6520   0.6987   3.7070   1.0740   5.5960   0.8942 -1.890000 1.397000 
1 1 1   17    5   28 o   8.4760   0.4117   8.7640   0.5294   8.1880   0.6308 0.5759000 0.8235000 
1 1 1   17    5   29 o   1.9080   0.6350   2.1020   0.9541   1.7140   0.8382 0.3885000 1.270000 
1 1 1   17    5   30 o   2.2640   0.7745   2.0730   1.0090   2.4560   1.1760 -0.3836000 1.549000 
1 1 1   17    5   31 o   2.0520   0.6993   1.9440   0.9404   2.1600   1.0350 -0.2159000 1.399000 
1 1 1   17    7    0 o   39.030   0.2383   39.290   0.3389   38.780   0.3351 0.5129000 0.4766000 
1 1 1   17    7    1 o   19.530   0.1572   19.030   0.2202   20.040   0.2244 -1.006000 0.3144000 
1 1 1   17    7    2 o   13.260   0.1586   13.070   0.2255   13.450   0.2230 -0.3839000 0.3172000 
1 1 1   17    7    3 o   12.600   0.2137   12.580   0.3015   12.630   0.3030 -0.4974000E-01 0.4274000 
1 1 1   17    7    4 o   40.900   0.3100   41.200   0.4411   40.610   0.4358 0.5917000 0.6201000 
1 1 1   17    7    5 o   16.470   0.1699   16.410   0.2354   16.530   0.2452 -0.1195000 0.3399000 
1 1 1   17    7    6 o   44.440   0.2723   44.360   0.3838   44.520   0.3863 -0.1625000 0.5446000 
1 1 1   17    7    7 o   32.800   0.2177   32.920   0.3088   32.670   0.3069 0.2496000 0.4354000 
1 1 1   17    7    8 o   19.410   0.1831   19.570   0.2603   19.260   0.2577 0.3155000 0.3663000 
1 1 1   17    7    9 o   19.380   0.1903   19.440   0.2740   19.320   0.2642 0.1246000 0.3807000 
1 1 1   17    7   10 o   4.0730   0.6110   3.5310   0.9687   4.6160   0.7450 -1.086000 1.222000 
1 1 1   17    7   11 o   28.850   0.2155   29.010   0.3090   28.690   0.3005 0.3173000 0.4310000 
1 1 1   17    7   12 o   5.2200   0.5828   5.6790   0.8117   4.7610   0.8364 0.9178000 1.166000 
1 1 1   17    7   13 o   10.130   0.4075   9.2780   0.6214   10.990   0.5275 -1.708000 0.8151000 
1 1 1   17    7   14 o   18.050   0.2343   18.090   0.3316   18.010   0.3310 0.8017000E-01 0.4685000 
1 1 1   17    7   15 o   34.970   0.2489   34.880   0.3532   35.060   0.3508 -0.1764000 0.4978000 
1 1 1   17    7   16 f   10.970   0.3683   10.130   0.6044   11.810   0.4209 -1.682000 0.7365000 
1 1 1   17    7   17 o   5.6250   0.6492   5.8390   0.7973   5.4100   1.0250 0.4293000 1.298000 
1 1 1   17    7   18 o   20.580   0.3425   21.110   0.4265   20.060   0.5361 1.048000 0.6851000 
1 1 1   17    7   19 o   4.5400   0.7119   5.2160   0.9130   3.8630   1.0930 1.354000 1.424000 
1 1 1   17    7   20 o   5.7740   0.5761   6.3760   0.7354   5.1720   0.8871 1.204000 1.152000 
1 1 1   17    7   21 o   2.5690   0.7461   2.2130   0.9920   2.9260   1.1150 -0.7129000 1.492000 
1 1 1   17    7   22 o   2.9390   0.7577   3.1970   1.0660   2.6800   1.0770 0.5173000 1.515000 
1 1 1   17    7   23 o   9.8630   0.3306   10.060   0.4228   9.6610   0.5083 0.4037000 0.6612000 
1 1 1   17    7   24 o   4.4600   0.6862   4.1700   0.9576   4.7510   0.9832 -0.5816000 1.372000 
1 1 1   17    7   25 o   1.9290   0.6373   2.0300   0.9292   1.8270   0.8724 0.2032000 1.275000 
1 1 1   17    7   26 o   6.1780   0.6657   6.4260   0.7728   5.9290   1.0840 0.4968000 1.331000 
1 1 1   17    7   27 o   4.4200   0.7335   4.4190   0.9986   4.4200   1.0750 -0.1645000E-02 1.467000 
1 1 1   17    7   28 o   2.9030   0.7255   3.7580   1.0960   2.0480   0.9511 1.710000 1.451000 
1 1 1   17    7   29 o   3.0970   0.8283   2.2460   0.9961   3.9480   1.3240 -1.703000 1.657000 
1 1 1   17    7   30 o   2.4570   0.7633   2.9900   1.2100   1.9230   0.9304 1.068000 1.527000 
1 1 1   17    9    0 o   27.940   0.1963   27.830   0.2774   28.040   0.2777 -0.2145000 0.3925000 
1 1 1   17    9    1 o   25.670   0.2100   25.820   0.3248   25.530   0.2661 0.2831000 0.4199000 
1 1 1   17    9    2 o   17.890   0.1857   18.290   0.3018   17.490   0.2165 0.8072000 0.3714000 
1 1 1   17    9    3 o   18.400   0.1754   18.040   0.2462   18.750   0.2500 -0.7051000 0.3509000 
1 1 1   17    9    4 o   17.920   0.1758   18.060   0.2478   17.780   0.2494 0.2847000 0.3516000 
1 1 1   17    9    5 o   19.080   0.1796   19.180   0.2525   18.980   0.2553 0.1984000 0.3591000 
1 1 1   17    9    6 o   14.680   0.2079   15.130   0.3086   14.230   0.2788 0.8946000 0.4158000 
1 1 1   17    9    7 o   21.460   0.1912   21.860   0.2699   21.060   0.2708 0.8054000 0.3823000 
1 1 1   17    9    8 o   18.840   0.1964   18.680   0.2778   18.990   0.2777 -0.3066000 0.3928000 
1 1 1   17    9    9 o   25.310   0.2255   26.220   0.3488   24.390   0.2860 1.838000 0.4511000 
1 1 1   17    9   10 o   5.4210   0.5016   5.2930   0.7364   5.5480   0.6812 -0.2555000 1.003000 
1 1 1   17    9   11 o   27.810   0.2389   27.970   0.3655   27.650   0.3077 0.3212000 0.4778000 
1 1 1   17    9   12 o   26.900   0.3872  ?   ?    26.900   0.3872      ?      ? 
1 1 1   17    9   13 o   6.0720   0.5458   6.3640   0.7454   5.7790   0.7976 0.5847000 1.092000 
1 1 1   17    9   14 o   19.630   0.2368   19.830   0.3431   19.420   0.3264 0.4099000 0.4735000 
1 1 1   17    9   15 o   16.780   0.2502   16.780   0.3627   16.770   0.3447 0.5646000E-02 0.5004000 
1 1 1   17    9   16 o   13.360   0.3054   13.550   0.4015   13.170   0.4603 0.3815000 0.6108000 
1 1 1   17    9   17 o   8.5400   0.5773   8.2500   0.7938   8.8290   0.8386 -0.5789000 1.155000 
1 1 1   17    9   18 o   9.4270   0.3703   9.0840   0.5480   9.7700   0.4981 -0.6860000 0.7406000 
1 1 1   17    9   19 o   15.960   0.2572   15.870   0.3710   16.050   0.3564 -0.1873000 0.5144000 
1 1 1   17    9   20 o   12.100   0.3058   11.770   0.4491   12.430   0.4152 -0.6607000 0.6116000 
1 1 1   17    9   21 o   3.1670   0.7933   3.2320   1.1340   3.1030   1.1100 0.1286000 1.587000 
1 1 1   17    9   22 o   5.1930   0.6425   4.8300   0.9771   5.5560   0.8345 -0.7258000 1.285000 
1 1 1   17    9   23 o   7.5370   0.4466   7.0320   0.6728   8.0420   0.5875 -1.010000 0.8932000 
1 1 1   17    9   24 o   3.6290   0.7881   3.4130   1.1280   3.8460   1.1010 -0.4336000 1.576000 
1 1 1   17    9   25 o   3.5260   0.8680   4.0080   1.2080   3.0430   1.2470 0.9649000 1.736000 
1 1 1   17    9   26 o   1.8870   0.6301   1.6930   0.8153   2.0820   0.9609 -0.3891000 1.260000 
1 1 1   17    9   27 o   3.3050   0.8064   3.1300   1.0980   3.4800   1.1820 -0.3509000 1.613000 
1 1 1   17    9   28 o   2.4100   0.7318   2.0820   0.9486   2.7390   1.1150 -0.6573000 1.464000 
1 1 1   17    9   29 o   3.0560   0.9164   3.3180   1.3160   2.7940   1.2760 0.5243000 1.833000 
1 1 1   17    9   30 o   2.8460   0.8257   3.3980   1.2510   2.2950   1.0770 1.104000 1.651000 
1 1 1   17   11    0 o   50.350   0.2654   50.080   0.3733   50.620   0.3775 -0.5399000 0.5309000 
1 1 1   17   11    1 o   39.300   0.2341   39.020   0.3510   39.590   0.3100 -0.5628000 0.4683000 
1 1 1   17   11    2 f   4.4830   0.4606   4.6340   0.6577   4.3320   0.6449 0.3023000 0.9212000 
1 1 1   17   11    3 o   10.560   0.2369   11.030   0.3599   10.090   0.3082 0.9378000 0.4738000 
1 1 1   17   11    4 o   14.870   0.1919   15.040   0.2825   14.700   0.2598 0.3460000 0.3838000 
1 1 1   17   11    5 o   23.000   0.1973   22.920   0.2769   23.080   0.2811 -0.1585000 0.3946000 
1 1 1   17   11    6 o   31.660   0.2235   31.480   0.3151   31.840   0.3170 -0.3565000 0.4470000 
1 1 1   17   11    7 o   24.050   0.2052   24.200   0.2924   23.910   0.2881 0.2919000 0.4105000 
1 1 1   17   11    8 o   40.440   0.2928   40.470   0.4509   40.410   0.3739 0.5905000E-01 0.5857000 
1 1 1   17   11    9 o   30.640   0.2699   30.250   0.3780   31.030   0.3852 -0.7787000 0.5397000 
1 1 1   17   11   10 o   17.000   0.2915   17.130   0.4153   16.870   0.4090 0.2576000 0.5829000 
1 1 1   17   11   11 o   48.180   0.3777   48.060   0.5345   48.290   0.5339 -0.2247000 0.7555000 
1 1 1   17   11   12 o   18.030   0.2944   18.460   0.4292   17.600   0.4030 0.8660000 0.5887000 
1 1 1   17   11   13 o   17.440   0.2605   17.810   0.3893   17.080   0.3461 0.7262000 0.5209000 
1 1 1   17   11   14 o   8.3890   0.3997   8.4750   0.5669   8.3030   0.5636 0.1721000 0.7993000 
1 1 1   17   11   15 o   11.940   0.3284   12.190   0.4325   11.680   0.4943 0.5142000 0.6568000 
1 1 1   17   11   16 o   21.710   0.2985   22.030   0.4460   21.380   0.3970 0.6529000 0.5971000 
1 1 1   17   11   17 o   11.690   0.3153   11.980   0.4529   11.400   0.4386 0.5804000 0.6305000 
1 1 1   17   11   18 o   20.270   0.2406   20.480   0.3509   20.060   0.3291 0.4205000 0.4811000 
1 1 1   17   11   19 o   2.1990   0.6992   2.2930   1.0210   2.1040   0.9555 0.1886000 1.398000 
1 1 1   17   11   20 o   9.6010   0.3635   9.5780   0.5253   9.6240   0.5025 -0.4626000E-01 0.7269000 
1 1 1   17   11   21 o   2.9420   0.7858   2.7540   1.1080   3.1300   1.1140 -0.3766000 1.572000 
1 1 1   17   11   22 o   7.8570   0.4390   7.5910   0.6589   8.1230   0.5803 -0.5323000 0.8780000 
1 1 1   17   11   23 o   5.7190   0.5785   5.7680   0.8235   5.6710   0.8127 0.9668000E-01 1.157000 
1 1 1   17   11   24 o   2.1910   0.7383   2.0320   1.0020   2.3500   1.0840 -0.3180000 1.477000 
1 1 1   17   11   25 o   3.3250   0.7671   4.1600   1.1050   2.4900   1.0640 1.670000 1.534000 
1 1 1   17   11   26 o   3.2450   0.8091   3.7720   1.1740   2.7180   1.1140 1.054000 1.618000 
1 1 1   17   11   27 o   2.9070   0.7965   3.3770   1.1850   2.4360   1.0640 0.9413000 1.593000 
1 1 1   17   11   28 o   3.0210   0.9213   2.5220   1.1480   3.5210   1.4410 -0.9990000 1.843000 
1 1 1   17   11   29 o   2.3030   0.7190   1.8770   0.8921   2.7290   1.1280 -0.8526000 1.438000 
1 1 1   17   13    0 f   27.930   0.1833   28.220   0.2593   27.640   0.2591 0.5846000 0.3666000 
1 1 1   17   13    1 o   24.380   0.1909   24.560   0.2872   24.200   0.2516 0.3680000 0.3819000 
1 1 1   17   13    2 o   15.730   0.2309   15.530   0.3023   15.930   0.3491 -0.3969000 0.4618000 
1 1 1   17   13    3 o   26.220   0.1968   25.980   0.2957   26.460   0.2598 -0.4791000 0.3936000 
1 1 1   17   13    4 o   23.570   0.1927   23.730   0.2895   23.410   0.2544 0.3111000 0.3853000 
1 1 1   17   13    5 o   28.740   0.2601   28.470   0.3648   29.020   0.3709 -0.5568000 0.5202000 
1 1 1   17   13    6 o   20.910   0.2290   20.990   0.3443   20.820   0.3018 0.1696000 0.4579000 
1 1 1   17   13    7 o   31.610   0.2325   31.370   0.3274   31.840   0.3303 -0.4728000 0.4651000 
1 1 1   17   13    8 o   2.8190   0.8254   2.9330   1.1830   2.7040   1.1510 0.2291000 1.651000 
1 1 1   17   13    9 o   7.8460   0.5546   7.2520   0.8172   8.4410   0.7502 -1.189000 1.109000 
1 1 1   17   13   10 o   9.3990   0.3718   9.7500   0.4945   9.0490   0.5553 0.7011000 0.7435000 
1 1 1   17   13   11 o   8.3190   0.4169   8.2280   0.5833   8.4090   0.5958 -0.1804000 0.8338000 
1 1 1   17   13   12 o   21.550   0.2332   21.910   0.3331   21.200   0.3264 0.7067000 0.4664000 
1 1 1   17   13   13 o   13.290   0.3064   12.950   0.4182   13.620   0.4480 -0.6705000 0.6128000 
1 1 1   17   13   14 o   4.1110   0.8371   3.0110   1.2570   5.2120   1.1060 -2.201000 1.674000 
1 1 1   17   13   15 o   26.590   0.2936   26.480   0.4244   26.700   0.4057 -0.2126000 0.5871000 
1 1 1   17   13   16 o   5.3180   0.6402   6.0490   0.8035   4.5860   0.9968 1.463000 1.280000 
1 1 1   17   13   17 o   2.7290   0.7305   2.0960   0.9617   3.3630   1.1000 -1.268000 1.461000 
1 1 1   17   13   18 o   3.1240   0.7735   2.6480   1.0820   3.5990   1.1050 -0.9504000 1.547000 
1 1 1   17   13   19 o   10.400   0.3373   10.800   0.4746   9.9980   0.4795 0.8040000 0.6746000 
1 1 1   17   13   20 o   6.3090   0.5466   5.9190   0.8607   6.6980   0.6739 -0.7794000 1.093000 
1 1 1   17   13   21 o   2.5380   0.7432   3.0650   1.1600   2.0100   0.9300 1.055000 1.486000 
1 1 1   17   13   22 o   3.6930   0.7711   4.3530   1.0840   3.0340   1.0970 1.319000 1.542000 
1 1 1   17   13   23 o   3.9530   0.9689   4.1980   1.4250   3.7080   1.3130 0.4907000 1.938000 
1 1 1   17   13   24 o   2.7470   0.7824   2.6660   1.0990   2.8270   1.1140 -0.1610000 1.565000 
1 1 1   17   13   25 o   2.8550   0.7867   3.2540   1.1660   2.4570   1.0570 0.7972000 1.573000 
1 1 1   17   13   26 o   1.9060   0.6431   1.9370   0.9200   1.8750   0.8988 0.6190000E-01 1.286000 
1 1 1   17   13   27 o   2.4610   0.8118   2.6180   1.1850   2.3040   1.1090 0.3139000 1.624000 
1 1 1   17   13   28 o   2.0760   0.6827   2.3880   1.0600   1.7650   0.8612 0.6233000 1.365000 
1 1 1   17   15    0 o   46.040   0.2920   46.600   0.4158   45.480   0.4100 1.126000 0.5840000 
1 1 1   17   15    1 o   21.010   0.2118   20.870   0.2990   21.150   0.3000 -0.2788000 0.4235000 
1 1 1   17   15    2 o   6.1910   0.4552   6.3640   0.6775   6.0190   0.6082 0.3451000 0.9104000 
1 1 1   17   15    3 o   5.2740   0.5388   4.8200   0.8619   5.7270   0.6469 -0.9072000 1.078000 
1 1 1   17   15    4 o   3.0480   0.7303   2.7620   1.0590   3.3350   1.0060 -0.5733000 1.461000 
1 1 1   17   15    5 o   26.400   0.2571   26.510   0.3969   26.300   0.3269 0.2060000 0.5142000 
1 1 1   17   15    6 o   16.160   0.2794   16.400   0.4250   15.920   0.3629 0.4831000 0.5588000 
1 1 1   17   15    7 o   13.330   0.2816   12.920   0.3998   13.740   0.3967 -0.8195000 0.5633000 
1 1 1   17   15    8 o   2.6950   0.7770   2.7040   1.1020   2.6860   1.0960 0.1815000E-01 1.554000 
1 1 1   17   15    9 o   18.280   0.2447   18.170   0.3478   18.390   0.3444 -0.2149000 0.4895000 
1 1 1   17   15   10 o   12.280   0.3269   12.180   0.4405   12.380   0.4831 -0.2010000 0.6538000 
1 1 1   17   15   11 o   15.830   0.2788   15.350   0.3757   16.320   0.4121 -0.9699000 0.5577000 
1 1 1   17   15   12 o   12.780   0.3022   12.860   0.4324   12.710   0.4224 0.1540000 0.6044000 
1 1 1   17   15   13 o   3.3910   0.8888   3.0510   1.2610   3.7310   1.2520 -0.6801000 1.778000 
1 1 1   17   15   14 o   17.470   0.2522   17.800   0.3605   17.140   0.3527 0.6611000 0.5043000 
1 1 1   17   15   15 o   10.740   0.3355   11.320   0.4755   10.150   0.4734 1.167000 0.6710000 
1 1 1   17   15   16 o   8.3150   0.4080   7.6390   0.6284   8.9910   0.5206 -1.352000 0.8160000 
1 1 1   17   15   17 o   8.5860   0.3912   8.2300   0.5812   8.9420   0.5237 -0.7119000 0.7823000 
1 1 1   17   15   18 o   3.0310   0.7836   2.8140   1.1090   3.2470   1.1070 -0.4331000 1.567000 
1 1 1   17   15   19 o   8.2790   0.4151   8.6450   0.5809   7.9140   0.5931 0.7309000 0.8302000 
1 1 1   17   15   20 o   7.5210   0.4570   7.2650   0.6686   7.7770   0.6232 -0.5113000 0.9140000 
1 1 1   17   15   21 o   8.0830   0.4559   8.5980   0.6603   7.5680   0.6286 1.029000 0.9117000 
1 1 1   17   15   22 o   5.4970   0.8009   6.6630   0.9257   4.3310   1.3070 2.332000 1.602000 
1 1 1   17   15   23 o   2.3500   0.7302   2.4270   1.0540   2.2730   1.0110 0.1544000 1.460000 
1 1 1   17   15   24 o   5.0200   0.7179   4.5710   1.1140   5.4690   0.9060 -0.8977000 1.436000 
1 1 1   17   15   25 o   2.4360   0.7485   2.5230   1.0800   2.3490   1.0370 0.1737000 1.497000 
1 1 1   17   15   26 o   2.2320   0.7549   2.6100   1.1890   1.8540   0.9302 0.7562000 1.510000 
1 1 1   17   15   27 o   2.2070   0.7042   1.8170   0.8837   2.5960   1.0970 -0.7793000 1.408000 
1 1 1   17   17    0 o   27.890   0.2355   27.940   0.3319   27.840   0.3341 0.1023000 0.4709000 
1 1 1   17   17    1 o   35.780   0.2567   35.900   0.3626   35.670   0.3636 0.2356000 0.5135000 
1 1 1   17   17    2 o   14.780   0.2786   15.200   0.4533   14.370   0.3241 0.8274000 0.5572000 
1 1 1   17   17    3 o   15.790   0.2419   15.600   0.3735   15.980   0.3074 -0.3760000 0.4837000 
1 1 1   17   17    4 o   14.570   0.2507   14.800   0.3765   14.350   0.3311 0.4500000 0.5014000 
1 1 1   17   17    5 o   23.640   0.2164   23.770   0.3276   23.510   0.2828 0.2563000 0.4328000 
1 1 1   17   17    6 o   3.0880   0.7738   3.1450   1.1370   3.0320   1.0500 0.1121000 1.548000 
1 1 1   17   17    7 o   20.920   0.2334   21.250   0.3353   20.580   0.3249 0.6636000 0.4669000 
1 1 1   17   17    8 o   4.3250   0.7317   3.6240   1.1530   5.0260   0.9012 -1.402000 1.463000 
1 1 1   17   17    9 o   2.8100   0.7773   2.4820   1.0630   3.1380   1.1340 -0.6561000 1.555000 
1 1 1   17   17   10 o   12.230   0.3845   11.330   0.5879   13.140   0.4956 -1.812000 0.7689000 
1 1 1   17   17   11 o   4.2920   0.8906   4.0970   1.3300   4.4880   1.1840 -0.3909000 1.781000 
1 1 1   17   17   12 o   3.2470   0.8022   3.6870   1.1590   2.8070   1.1090 0.8800000 1.604000 
1 1 1   17   17   13 o   5.8790   0.6039   6.7110   0.7349   5.0480   0.9586 1.663000 1.208000 
1 1 1   17   17   14 o   2.1010   0.6811   2.2390   1.0050   1.9630   0.9194 0.2766000 1.362000 
1 1 1   17   17   15 o   3.2530   0.8118   3.2530   1.1580   3.2540   1.1380 -0.1033000E-02 1.624000 
1 1 1   17   17   16 o   2.4570   0.7342   2.6830   1.0850   2.2300   0.9890 0.4530000 1.468000 
1 1 1   17   17   17 o   2.5110   0.7451   2.7080   1.0980   2.3150   1.0080 0.3938000 1.490000 
1 1 1   17   17   18 o   12.850   0.3043   12.790   0.4446   12.920   0.4155 -0.1245000 0.6085000 
1 1 1   17   17   19 o   4.8330   0.7359   5.1430   1.0760   4.5230   1.0040 0.6202000 1.472000 
1 1 1   17   17   20 o   4.3760   0.9285   3.7750   1.3900   4.9760   1.2310 -1.201000 1.857000 
1 1 1   17   17   21 o   3.5890   0.8959   4.1470   1.2850   3.0300   1.2480 1.117000 1.792000 
1 1 1   17   17   22 f   2.0300   0.6674   2.1080   0.9707   1.9520   0.9163 0.1569000 1.335000 
1 1 1   17   17   23 o   2.1040   0.6869   2.2730   1.0240   1.9350   0.9163 0.3377000 1.374000 
1 1 1   17   17   24 o   2.0890   0.6943   1.9400   0.9211   2.2380   1.0390 -0.2983000 1.389000 
1 1 1   17   17   25 o   2.8470   0.8812   2.3890   1.1180   3.3040   1.3620 -0.9151000 1.762000 
1 1 1   17   17   26 o   2.9600   1.2760   2.9600   1.2760  ?   ?       ?      ? 
1 1 1   17   19    0 o   9.8750   0.3469   10.250   0.4823   9.4970   0.4987 0.7548000 0.6938000 
1 1 1   17   19    1 o   17.220   0.2456   17.450   0.3469   16.990   0.3479 0.4580000 0.4913000 
1 1 1   17   19    2 o   16.800   0.2545   16.640   0.3717   16.950   0.3478 -0.3069000 0.5090000 
1 1 1   17   19    3 o   14.130   0.2778   14.080   0.4052   14.170   0.3801 -0.8828000E-01 0.5556000 
1 1 1   17   19    4 o   4.8520   0.6475   4.1490   1.0680   5.5550   0.7323 -1.406000 1.295000 
1 1 1   17   19    5 o   10.340   0.3133   10.320   0.4704   10.360   0.4139 -0.3998000E-01 0.6266000 
1 1 1   17   19    6 o   17.370   0.2757   16.860   0.4579   17.870   0.3071 -1.006000 0.5513000 
1 1 1   17   19    7 f   7.3060   0.5460   7.0760   0.8806   7.5350   0.6457 -0.4587000 1.092000 
1 1 1   17   19    8 o   4.1680   0.8295   3.6470   1.3120   4.6900   1.0160 -1.044000 1.659000 
1 1 1   17   19    9 o   3.6460   0.7832   3.7180   1.1600   3.5740   1.0530 0.1432000 1.566000 
1 1 1   17   19   10 o   18.300   0.2362   18.730   0.3571   17.870   0.3095 0.8641000 0.4725000 
1 1 1   17   19   11 o   15.050   0.2784   14.860   0.4034   15.240   0.3839 -0.3782000 0.5569000 
1 1 1   17   19   12 o   10.660   0.3444   10.640   0.4972   10.680   0.4767 -0.3725000E-01 0.6888000 
1 1 1   17   19   13 o   13.620   0.2981   13.880   0.4201   13.370   0.4231 0.5110000 0.5962000 
1 1 1   17   19   14 o   5.1120   0.6754   5.5780   0.9014   4.6460   1.0060 0.9313000 1.351000 
1 1 1   17   19   15 o   10.100   0.3611   10.260   0.5042   9.9390   0.5172 0.3259000 0.7223000 
1 1 1   17   19   16 o   3.5470   0.8032   3.4440   1.1520   3.6510   1.1200 -0.2073000 1.606000 
1 1 1   17   19   17 o   3.5400   0.8320   3.2360   1.2280   3.8440   1.1230 -0.6077000 1.664000 
1 1 1   17   19   18 o   8.0050   0.4867   7.8670   0.7469   8.1440   0.6244 -0.2774000 0.9735000 
1 1 1   17   19   19 o   4.9240   0.8574   5.7250   1.0720   4.1220   1.3390 1.603000 1.715000 
1 1 1   17   19   20 o   5.2210   0.6861   4.8120   1.0610   5.6300   0.8697 -0.8173000 1.372000 
1 1 1   17   19   21 o   2.7580   0.7457   2.0070   0.9448   3.5090   1.1540 -1.503000 1.491000 
1 1 1   17   19   22 o   2.3320   0.7301   2.4040   1.0510   2.2590   1.0130 0.1454000 1.460000 
1 1 1   17   19   23 o   2.3660   0.7515   2.3300   1.0380   2.4020   1.0870 -0.7230000E-01 1.503000 
1 1 1   17   19   24 o   2.3350   0.7688   2.2990   1.0880   2.3710   1.0870 -0.7243000E-01 1.538000 
1 1 1   17   21    0 o   5.8380   0.6130   5.1880   0.9576   6.4890   0.7656 -1.301000 1.226000 
1 1 1   17   21    1 o   9.2780   0.3867   8.7500   0.5654   9.8050   0.5276 -1.055000 0.7733000 
1 1 1   17   21    2 o   17.150   0.2999   16.920   0.4721   17.370   0.3701 -0.4482000 0.5999000 
1 1 1   17   21    3 o   9.5650   0.4622   9.0150   0.7672   10.110   0.5158 -1.099000 0.9245000 
1 1 1   17   21    4 o   6.4760   0.5091   6.5330   0.7692   6.4180   0.6671 0.1150000 1.018000 
1 1 1   17   21    5 o   2.6250   0.7443   2.4530   1.0510   2.7970   1.0550 -0.3436000 1.489000 
1 1 1   17   21    6 o   8.6160   0.3899   8.4470   0.6092   8.7850   0.4869 -0.3386000 0.7799000 
1 1 1   17   21    7 o   8.3480   0.3952   8.0380   0.6133   8.6580   0.4988 -0.6203000 0.7905000 
1 1 1   17   21    8 o   4.4400   0.7026   4.4480   1.0720   4.4310   0.9084 0.1761000E-01 1.405000 
1 1 1   17   21    9 o   6.7000   0.4805   7.6480   0.6484   5.7520   0.7092 1.896000 0.9610000 
1 1 1   17   21   10 o   8.6180   0.3800   8.7100   0.5819   8.5260   0.4888 0.1835000 0.7600000 
1 1 1   17   21   11 o   8.7160   0.3734   9.0340   0.5565   8.3990   0.4981 0.6352000 0.7468000 
1 1 1   17   21   12 o   2.9090   0.7036   2.1060   0.9689   3.7110   1.0200 -1.604000 1.407000 
1 1 1   17   21   13 o   5.8780   0.5944   6.1600   0.8185   5.5960   0.8622 0.5645000 1.189000 
1 1 1   17   21   14 o   6.8260   0.5755   6.7370   0.8934   6.9140   0.7256 -0.1772000 1.151000 
1 1 1   17   21   15 o   4.1420   0.8256   4.5350   1.1860   3.7490   1.1490 0.7866000 1.651000 
1 1 1   17   21   16 o   7.1720   0.7019   8.0700   0.7923   6.2730   1.1590 1.797000 1.404000 
1 1 1   17   21   17 o   5.1430   0.8424   4.4850   1.2560   5.8010   1.1230 -1.317000 1.685000 
1 1 1   17   21   18 o   6.1630   0.6225   7.2280   0.7332   5.0990   1.0060 2.129000 1.245000 
1 1 1   17   21   19 o   7.8210   0.4789   7.4710   0.7064   8.1720   0.6467 -0.7015000 0.9577000 
1 1 1   17   21   20 o   2.5500   0.7689   2.5730   1.0980   2.5260   1.0770 0.4696000E-01 1.538000 
1 1 1   17   21   21 o   3.5020   0.8803   3.6660   1.2210   3.3390   1.2680 0.3274000 1.761000 
1 1 1   17   21   22 o   2.0800   0.7093   2.0670   1.0080   2.0930   0.9978 -0.2540000E-01 1.419000 
1 1 1   17   23    0 o   13.080   0.2808   12.610   0.4369   13.550   0.3531 -0.9376000 0.5617000 
1 1 1   17   23    1 o   6.1010   0.4946   5.6180   0.7609   6.5850   0.6320 -0.9667000 0.9892000 
1 1 1   17   23    2 f   11.200   0.2877   11.260   0.4079   11.130   0.4058 0.1242000 0.5754000 
1 1 1   17   23    3 o   11.260   0.3147   11.300   0.4853   11.220   0.4009 0.8705000E-01 0.6295000 
1 1 1   17   23    4 f   10.230   0.3371   9.6690   0.5347   10.800   0.4106 -1.129000 0.6741000 
1 1 1   17   23    5 o   1.8630   0.6204   2.0530   0.9454   1.6730   0.8036 0.3802000 1.241000 
1 1 1   17   23    6 o   2.3590   0.7107   2.6910   1.0900   2.0270   0.9128 0.6637000 1.421000 
1 1 1   17   23    7 o   5.9970   0.5196   6.1490   0.7676   5.8440   0.7005 0.3057000 1.039000 
1 1 1   17   23    8 o   2.6100   0.7438   2.8180   1.1030   2.4030   0.9981 0.4150000 1.488000 
1 1 1   17   23    9 o   7.9970   0.4211   7.9980   0.6542   7.9960   0.5305 0.2154000E-02 0.8422000 
1 1 1   17   23   10 o   6.1170   0.5345   6.1300   0.8264   6.1040   0.6782 0.2620000E-01 1.069000 
1 1 1   17   23   11 o   3.3010   0.8335   3.1560   1.2330   3.4470   1.1220 -0.2907000 1.667000 
1 1 1   17   23   12 o   7.3650   0.5231   7.3780   0.8182   7.3530   0.6520 0.2477000E-01 1.046000 
1 1 1   17   23   13 o   7.9100   0.4414   7.9180   0.6693   7.9030   0.5755 0.1469000E-01 0.8827000 
1 1 1   17   23   14 o   5.1310   0.7696   4.5880   1.2120   5.6740   0.9483 -1.086000 1.539000 
1 1 1   17   23   15 o   2.2440   0.7037   1.6930   0.8324   2.7950   1.1350 -1.102000 1.407000 
1 1 1   17   23   16 o   4.4230   0.7871   3.8620   1.1890   4.9840   1.0310 -1.122000 1.574000 
1 1 1   17   23   17 o   2.1450   0.7009   2.1720   0.9980   2.1180   0.9844 0.5427000E-01 1.402000 
1 1 1   17   23   18 o   3.0170   0.8266   3.5760   1.2080   2.4570   1.1280 1.119000 1.653000 
1 1 1   17   23   19 o   5.6820   0.7698   7.0380   0.7720   4.3270   1.3320 2.711000 1.540000 
1 1 1   17   23   20 o   2.2880   0.7664   2.3250   1.1040   2.2510   1.0630 0.7399000E-01 1.533000 
1 1 1   17   25    0 o   6.7420   0.4418   6.6220   0.6260   6.8620   0.6235 -0.2401000 0.8836000 
1 1 1   17   25    1 o   10.030   0.3946   10.020   0.6523   10.030   0.4441 -0.9647000E-02 0.7891000 
1 1 1   17   25    2 o   2.5450   0.7644   3.3190   1.2770   1.7720   0.8407 1.548000 1.529000 
1 1 1   17   25    3 o   2.5590   0.7769   3.0550   1.2450   2.0640   0.9292 0.9915000 1.554000 
1 1 1   17   25    4 o   3.3480   0.8457   3.1870   1.2500   3.5080   1.1400 -0.3207000 1.691000 
1 1 1   17   25    5 o   2.4530   0.7624   2.2920   1.0450   2.6140   1.1100 -0.3217000 1.525000 
1 1 1   17   25    6 o   3.3620   0.8290   3.9400   1.2460   2.7850   1.0940 1.155000 1.658000 
1 1 1   17   25    7 o   2.8090   0.8053   3.2800   1.2530   2.3370   1.0120 0.9427000 1.611000 
1 1 1   17   25    8 o   4.6720   0.7037   4.7030   1.0790   4.6400   0.9033 0.6313000E-01 1.407000 
1 1 1   17   25    9 o   2.5920   0.7491   3.0020   1.1560   2.1830   0.9531 0.8185000 1.498000 
1 1 1   17   25   10 o   2.5150   0.7832   2.6270   1.1540   2.4020   1.0600 0.2251000 1.566000 
1 1 1   17   25   11 o   6.6410   0.6186   7.2550   0.8568   6.0260   0.8925 1.229000 1.237000 
1 1 1   17   25   12 o   2.7440   0.7504   2.3780   1.0520   3.1100   1.0710 -0.7314000 1.501000 
1 1 1   17   25   13 o   3.9220   0.7954   4.1460   1.1680   3.6990   1.0800 0.4474000 1.591000 
1 1 1   17   25   14 o   2.6000   0.7529   2.3690   1.0490   2.8310   1.0800 -0.4620000 1.506000 
1 1 1   17   25   15 o   6.9060   0.5364   6.4510   0.8108   7.3600   0.7025 -0.9091000 1.073000 
1 1 1   17   25   16 o   2.4970   0.7608   2.5120   1.0820   2.4820   1.0700 0.3056000E-01 1.522000 
1 1 1   17   25   17 o   2.4620   0.8036   2.4710   1.1490   2.4530   1.1240 0.1797000E-01 1.607000 
1 1 1   17   27    0 o   8.0860   0.3905   7.6630   0.5897   8.5090   0.5120 -0.8459000 0.7810000 
1 1 1   17   27    1 o   4.5400   0.6610   3.8480   1.0520   5.2330   0.8010 -1.385000 1.322000 
1 1 1   17   27    2 o   3.1780   0.7788   2.8400   1.1430   3.5170   1.0580 -0.6777000 1.558000 
1 1 1   17   27    3 o   2.6020   0.7655   2.9020   1.1710   2.3030   0.9862 0.5997000 1.531000 
1 1 1   17   27    4 o   2.8720   0.9076   3.4190   1.4930   2.3260   1.0330 1.093000 1.815000 
1 1 1   17   27    5 o   4.1810   1.0110   4.5470   1.6430   3.8140   1.1780 0.7339000 2.022000 
1 1 1   17   27    6 o   2.7400   1.1250  ?   ?    2.7400   1.1250      ?      ? 
1 1 1   17   27    7 o   2.2950   0.7135   2.4990   1.0770   2.0910   0.9357 0.4079000 1.427000 
1 1 1   17   27    8 o   1.5120   0.5340   1.6980   0.8342   1.3260   0.6669 0.3713000 1.068000 
1 1 1   17   27    9 o   4.4850   0.7405   4.0060   1.1850   4.9640   0.8885 -0.9578000 1.481000 
1 1 1   17   27   10 f   2.1030   0.6783   2.5170   1.0850   1.6880   0.8140 0.8299000 1.357000 
1 1 1   17   27   11 o   2.6960   0.7878   2.8120   1.1400   2.5800   1.0870 0.2325000 1.576000 
1 1 1   17   27   12 o   2.3680   0.7428   2.2710   1.0360   2.4640   1.0650 -0.1934000 1.486000 
1 1 1   17   27   13 o   2.3750   0.7318   2.2980   1.0310   2.4520   1.0390 -0.1537000 1.464000 
1 1 1   17   27   14 o   2.8630   0.8720   3.3150   1.3410   2.4100   1.1150 0.9044000 1.744000 
1 1 1   17   29    0 o   1.9610   0.6441   1.9910   0.9229   1.9320   0.8988 0.5968000E-01 1.288000 
1 1 1   17   29    1 o   5.9620   0.5446   6.5670   0.7087   5.3570   0.8271 1.209000 1.089000 
1 1 1   17   29    2 o   2.3330   0.7344   2.2250   1.0270   2.4400   1.0500 -0.2145000 1.469000 
1 1 1   17   29    3 o   3.4980   0.7925   4.5950   1.1870   2.4000   1.0510 2.195000 1.585000 
1 1 1   17   29    4 o   3.3840   0.8050   2.7630   1.1500   4.0040   1.1270 -1.241000 1.610000 
1 1 1   17   29    5 f   2.3250   0.7285   2.6500   1.1200   2.0000   0.9315 0.6493000 1.457000 
1 1 1   17   29    6 o   3.1330   0.8120   2.8720   1.1490   3.3940   1.1470 -0.5226000 1.624000 
1 1 1   17   29    7 o   2.1920   0.7513   2.4990   1.2170   1.8850   0.8818 0.6139000 1.503000 
1 1 1   17   29    8 o   2.3910   0.7645   2.2570   1.1180   2.5250   1.0430 -0.2680000 1.529000 
1 1 1   17   29    9 o   2.9850   0.9379   4.0590   1.6260   1.9110   0.9354 2.149000 1.876000 
1 1 1   18    0    0 o   4.8950   0.3553   4.8950   0.3553   4.8950   0.3553 0.000000 0.000000 
1 1 1   18    0    1 o   4.9670   0.5254   4.9670   0.5254   4.9670   0.5254 0.000000 0.000000 
1 1 1   18    0    2 f   61.750   0.5061   61.750   0.5061   61.750   0.5061 0.000000 0.000000 
1 1 1   18    0    3 o   21.550   0.2108   21.550   0.2108   21.550   0.2108 0.000000 0.000000 
1 1 1   18    0    4 o   33.620   0.2926   33.620   0.2926   33.620   0.2926 0.000000 0.000000 
1 1 1   18    0    5 o   6.8870   0.3151   6.8870   0.3151   6.8870   0.3151 0.000000 0.000000 
1 1 1   18    0    6 o   20.900   0.4013   20.900   0.4013   20.900   0.4013 0.000000 0.000000 
1 1 1   18    0    7 o   1.6260   0.9201   1.6260   0.9201   1.6260   0.9201 0.000000 0.000000 
1 1 1   18    0    8 o   10.390   0.2788   10.390   0.2788   10.390   0.2788 0.000000 0.000000 
1 1 1   18    0    9 o   43.690   0.3780   43.690   0.3780   43.690   0.3780 0.000000 0.000000 
1 1 1   18    0   10 o   12.060   0.2845   12.060   0.2845   12.060   0.2845 0.000000 0.000000 
1 1 1   18    0   11 o   29.850   0.2958   29.850   0.2958   29.850   0.2958 0.000000 0.000000 
1 1 1   18    0   12 o   21.330   0.2740   21.330   0.2740   21.330   0.2740 0.000000 0.000000 
1 1 1   18    0   13 o   38.280   0.3547   38.280   0.3547   38.280   0.3547 0.000000 0.000000 
1 1 1   18    0   14 o   39.260   0.4446   39.260   0.4446   39.260   0.4446 0.000000 0.000000 
1 1 1   18    0   15 o   17.430   0.4034   17.430   0.4034   17.430   0.4034 0.000000 0.000000 
1 1 1   18    0   16 o   5.5380   0.8983   5.5380   0.8983   5.5380   0.8983 0.000000 0.000000 
1 1 1   18    0   17 o   17.600   0.3339   17.600   0.3339   17.600   0.3339 0.000000 0.000000 
1 1 1   18    0   18 o   9.5720   0.5283   9.5720   0.5283   9.5720   0.5283 0.000000 0.000000 
1 1 1   18    0   19 o   27.490   0.5938   27.490   0.5938   27.490   0.5938 0.000000 0.000000 
1 1 1   18    0   20 o   3.4300   1.3690   3.4300   1.3690   3.4300   1.3690 0.000000 0.000000 
1 1 1   18    0   21 o   9.9970   0.4972   9.9970   0.4972   9.9970   0.4972 0.000000 0.000000 
1 1 1   18    0   22 o   7.4450   0.6395   7.4450   0.6395   7.4450   0.6395 0.000000 0.000000 
1 1 1   18    0   23 o   3.4450   1.3850   3.4450   1.3850   3.4450   1.3850 0.000000 0.000000 
1 1 1   18    0   24 o   6.9950   0.6955   6.9950   0.6955   6.9950   0.6955 0.000000 0.000000 
1 1 1   18    0   25 o   3.9180   1.2760   3.9180   1.2760   3.9180   1.2760 0.000000 0.000000 
1 1 1   18    0   26 o   2.4210   1.3950   2.4210   1.3950   2.4210   1.3950 0.000000 0.000000 
1 1 1   18    0   27 o   2.5700   1.3620   2.5700   1.3620   2.5700   1.3620 0.000000 0.000000 
1 1 1   18    0   28 f   1.6700   1.1030   1.6700   1.1030   1.6700   1.1030 0.000000 0.000000 
1 1 1   18    0   29 o   2.8680   1.4060   2.8680   1.4060   2.8680   1.4060 0.000000 0.000000 
1 1 1   18    0   30 o   1.6380   1.1740   1.6380   1.1740   1.6380   1.1740 0.000000 0.000000 
1 1 1   18    0   31 o   1.7380   1.1370   1.7380   1.1370   1.7380   1.1370 0.000000 0.000000 
1 1 1   18    2    0 o   51.140   0.3311   51.070   0.5115   51.210   0.4207 -0.1380000 0.6623000 
1 1 1   18    2    1 o   26.890   0.2069   27.100   0.2948   26.670   0.2905 0.4246000 0.4139000 
1 1 1   18    2    2 o   16.410   0.1492   16.780   0.2360   16.040   0.1825 0.7382000 0.2983000 
1 1 1   18    2    3 o   31.260   0.1934   31.080   0.2723   31.440   0.2748 -0.3602000 0.3869000 
1 1 1   18    2    4 o   27.630   0.1788   27.390   0.2515   27.870   0.2543 -0.4811000 0.3577000 
1 1 1   18    2    5 f   24.320   0.1864   24.210   0.2374   24.440   0.2874 -0.2353000 0.3728000 
1 1 1   18    2    6 o   3.6230   0.9831  ?   ?    3.6230   0.9831      ?      ? 
1 1 1   18    2    7 o   12.110   0.1720   12.060   0.2411   12.160   0.2453 -0.9422000E-01 0.3439000 
1 1 1   18    2    8 o   17.620   0.1655   17.650   0.2339   17.600   0.2342 0.5479000E-01 0.3310000 
1 1 1   18    2    9 o   38.610   0.2421   38.950   0.3446   38.270   0.3402 0.6817000 0.4842000 
1 1 1   18    2   10 o   48.060   0.2728   48.600   0.3616   47.520   0.4087 1.073000 0.5457000 
1 1 1   18    2   11 o   13.960   0.1888   14.200   0.2465   13.720   0.2860 0.4859000 0.3776000 
1 1 1   18    2   12 o   10.520   0.2413   10.640   0.3171   10.400   0.3637 0.2418000 0.4826000 
1 1 1   18    2   13 o   40.540   0.2445   40.190   0.3177   40.890   0.3718 -0.6933000 0.4890000 
1 1 1   18    2   14 o   28.980   0.2693   29.040   0.3784   28.910   0.3834 0.1283000 0.5386000 
1 1 1   18    2   15 o   15.250   0.2299   15.380   0.2984   15.120   0.3497 0.2612000 0.4597000 
1 1 1   18    2   16 o   5.7220   0.5468   4.6420   0.8572   6.8030   0.6789 -2.161000 1.094000 
1 1 1   18    2   17 o   5.8510   0.5568   6.8770   0.5747   4.8260   0.9538 2.052000 1.114000 
1 1 1   18    2   18 o   16.810   0.2268   16.460   0.3005   17.160   0.3398 -0.7021000 0.4536000 
1 1 1   18    2   19 o   4.1510   0.9495   4.5490   1.2150   3.7540   1.4590 0.7950000 1.899000 
1 1 1   18    2   20 o   3.1530   0.7467   3.5790   1.0240   2.7270   1.0870 0.8513000 1.493000 
1 1 1   18    2   21 o   12.920   0.2689   13.020   0.3494   12.830   0.4089 0.1916000 0.5378000 
1 1 1   18    2   22 o   9.5850   0.3359   8.9740   0.4675   10.200   0.4824 -1.221000 0.6717000 
1 1 1   18    2   23 o   8.1690   0.3902   8.2510   0.5036   8.0870   0.5961 0.1636000 0.7803000 
1 1 1   18    2   24 o   3.1690   0.7530   3.4880   1.0300   2.8500   1.0980 0.6375000 1.506000 
1 1 1   18    2   25 o   2.0830   0.6626   1.9500   0.8858   2.2160   0.9856 -0.2661000 1.325000 
1 1 1   18    2   26 o   2.5110   0.7821   2.4600   1.0870   2.5630   1.1250 -0.1029000 1.564000 
1 1 1   18    2   27 o   2.5920   0.7106   3.4750   1.1490   1.7090   0.8361 1.767000 1.421000 
1 1 1   18    2   28 o   2.3000   0.7165   2.7330   1.1190   1.8670   0.8950 0.8663000 1.433000 
1 1 1   18    2   29 o   3.2040   0.8215   3.5320   1.1730   2.8750   1.1500 0.6568000 1.643000 
1 1 1   18    2   30 o   2.8170   0.9243   2.6600   1.2610   2.9740   1.3510 -0.3135000 1.849000 
1 1 1   18    2   31 o   1.7650   0.6082   1.7850   0.8686   1.7440   0.8516 0.4076000E-01 1.216000 
1 1 1   18    4    0 o   9.0710   0.2565  ?   ?    9.0710   0.2565      ?      ? 
1 1 1   18    4    1 o   23.990   0.1587   23.850   0.2228   24.140   0.2261 -0.2974000 0.3174000 
1 1 1   18    4    2 o   16.530   0.1387   16.500   0.1950   16.560   0.1972 -0.6146000E-01 0.2773000 
1 1 1   18    4    3 o   24.440   0.1657   24.340   0.2339   24.550   0.2349 -0.2073000 0.3315000 
1 1 1   18    4    4 o   15.430   0.1597   15.580   0.2109   15.280   0.2399 0.3030000 0.3194000 
1 1 1   18    4    5 o   18.850   0.2823   18.850   0.2823  ?   ?       ?      ? 
1 1 1   18    4    6 o   18.510   0.1980   18.650   0.2805   18.370   0.2795 0.2797000 0.3960000 
1 1 1   18    4    7 o   3.9350   0.4718   3.1440   0.7803   4.7250   0.5307 -1.581000 0.9437000 
1 1 1   18    4    8 o   10.140   0.2057   10.090   0.2870   10.200   0.2947 -0.1114000 0.4113000 
1 1 1   18    4    9 o   34.670   0.2251   34.740   0.3188   34.600   0.3177 0.1487000 0.4501000 
1 1 1   18    4   10 o   30.910   0.2122   30.950   0.3020   30.870   0.2981 0.7722000E-01 0.4243000 
1 1 1   18    4   11 o   7.1280   0.3441   7.0100   0.4990   7.2460   0.4738 -0.2363000 0.6881000 
1 1 1   18    4   12 o   15.640   0.2137   16.140   0.2991   15.140   0.3053 0.9979000 0.4274000 
1 1 1   18    4   13 o   9.3170   0.3319   9.3160   0.5015   9.3190   0.4349 -0.2849000E-02 0.6638000 
1 1 1   18    4   14 f   15.290   0.5615   15.290   0.5615  ?   ?       ?      ? 
1 1 1   18    4   15 o   15.290   0.2305   15.050   0.3036   15.520   0.3468 -0.4695000 0.4610000 
1 1 1   18    4   16 f   30.430   0.2182   30.680   0.2885   30.170   0.3274 0.5092000 0.4364000 
1 1 1   18    4   17 o   7.0240   0.4324   6.6520   0.5892   7.3960   0.6332 -0.7440000 0.8649000 
1 1 1   18    4   18 o   8.8900   0.4192   9.0240   0.5208   8.7560   0.6572 0.2684000 0.8385000 
1 1 1   18    4   19 o   9.0110   0.4281   8.4420   0.5944   9.5800   0.6163 -1.138000 0.8562000 
1 1 1   18    4   20 o   12.570   0.2727   12.710   0.3594   12.430   0.4101 0.2740000 0.5453000 
1 1 1   18    4   21 o   3.8880   0.7348   4.0910   0.9652   3.6840   1.1080 0.4074000 1.470000 
1 1 1   18    4   22 o   2.4150   0.7089   2.5270   1.0020   2.3040   1.0030 0.2232000 1.418000 
1 1 1   18    4   23 o   2.6390   0.7401   2.4030   0.9887   2.8750   1.1020 -0.4726000 1.480000 
1 1 1   18    4   24 o   2.8650   0.7540   2.6510   1.0230   3.0780   1.1080 -0.4274000 1.508000 
1 1 1   18    4   25 o   7.2290   0.4280   7.2050   0.5545   7.2520   0.6521 -0.4633000E-01 0.8560000 
1 1 1   18    4   26 o   5.3460   0.7728   4.7240   1.1540   5.9690   1.0280 -1.245000 1.546000 
1 1 1   18    4   27 o   3.9750   0.7623   4.4030   0.9808   3.5460   1.1670 0.8567000 1.525000 
1 1 1   18    4   28 o   3.4900   0.8031   3.3190   1.1010   3.6610   1.1700 -0.3419000 1.606000 
1 1 1   18    4   29 o   2.8170   0.7579   2.0960   0.9519   3.5380   1.1800 -1.443000 1.516000 
1 1 1   18    4   30 o   3.9160   0.9668   4.7100   1.3550   3.1230   1.3790 1.587000 1.934000 
1 1 1   18    4   31 o   2.3410   0.7673   2.4390   1.0960   2.2440   1.0740 0.1947000 1.535000 
1 1 1   18    6    0 o   37.440   0.2140   37.370   0.3223   37.500   0.2817 -0.1304000 0.4280000 
1 1 1   18    6    1 o   11.710   0.1621   11.690   0.2154   11.730   0.2422 -0.4076000E-01 0.3241000 
1 1 1   18    6    2 o   19.890   0.1686   19.760   0.2172   20.030   0.2580 -0.2659000 0.3373000 
1 1 1   18    6    3 o   20.260   0.1801   20.160   0.2793   20.350   0.2276 -0.1918000 0.3603000 
1 1 1   18    6    4 o   16.630   0.1995   16.650   0.2790   16.600   0.2851 0.5356000E-01 0.3990000 
1 1 1   18    6    5 o   18.770   0.2044   18.020   0.2884   19.530   0.2898 -1.511000 0.4089000 
1 1 1   18    6    6 o   22.910   0.1753   22.730   0.2471   23.100   0.2486 -0.3717000 0.3505000 
1 1 1   18    6    7 o   24.180   0.1834   23.970   0.2593   24.400   0.2594 -0.4282000 0.3668000 
1 1 1   18    6    8 o   29.230   0.2042   29.500   0.2926   28.950   0.2849 0.5531000 0.4084000 
1 1 1   18    6    9 o   43.660   0.2715   43.940   0.3869   43.390   0.3811 0.5508000 0.5431000 
1 1 1   18    6   10 f   38.190   0.2467   38.150   0.3494   38.230   0.3485 -0.7672000E-01 0.4935000 
1 1 1   18    6   11 o   32.290   0.2251   32.540   0.3211   32.050   0.3154 0.4907000 0.4501000 
1 1 1   18    6   12 o   15.830   0.2178   15.720   0.3115   15.940   0.3045 -0.2257000 0.4356000 
1 1 1   18    6   13 o   20.310   0.3152   20.440   0.5048   20.170   0.3775 0.2683000 0.6304000 
1 1 1   18    6   14 o   3.5600   0.8421   3.7350   1.2600   3.3860   1.1170 0.3484000 1.684000 
1 1 1   18    6   15 o   14.120   0.2646   14.400   0.3720   13.840   0.3764 0.5635000 0.5292000 
1 1 1   18    6   16 o   11.980   0.3010   11.850   0.4337   12.120   0.4176 -0.2651000 0.6021000 
1 1 1   18    6   17 o   16.790   0.2414   16.870   0.3394   16.700   0.3434 0.1670000 0.4829000 
1 1 1   18    6   18 o   3.8970   0.9436   4.3640   1.2990   3.4300   1.3690 0.9344000 1.887000 
1 1 1   18    6   19 f   3.8700   0.7694   4.3590   1.0560   3.3820   1.1200 0.9770000 1.539000 
1 1 1   18    6   20 o   8.9960   0.3546   8.2780   0.5090   9.7130   0.4938 -1.436000 0.7091000 
1 1 1   18    6   21 o   5.9950   0.5208   5.5440   0.7563   6.4460   0.7161 -0.9021000 1.042000 
1 1 1   18    6   22 o   3.2680   0.7278   3.9670   0.9972   2.5680   1.0600 1.399000 1.456000 
1 1 1   18    6   23 o   6.4470   0.4800   6.6300   0.6067   6.2640   0.7439 0.3660000 0.9600000 
1 1 1   18    6   24 o   11.870   0.2916   12.130   0.3756   11.610   0.4463 0.5127000 0.5833000 
1 1 1   18    6   25 o   2.0610   0.6620   2.2730   0.9903   1.8490   0.8787 0.4244000 1.324000 
1 1 1   18    6   26 o   7.2520   0.5416   6.9360   0.7275   7.5680   0.8026 -0.6322000 1.083000 
1 1 1   18    6   27 o   2.9840   0.7643   3.4730   1.0990   2.4950   1.0630 0.9781000 1.529000 
1 1 1   18    6   28 o   2.4270   0.7221   1.8930   0.8889   2.9610   1.1380 -1.069000 1.444000 
1 1 1   18    6   29 o   4.7110   0.7175   4.2280   1.0520   5.1940   0.9760 -0.9663000 1.435000 
1 1 1   18    6   30 o   2.6810   0.8403   2.7630   1.2250   2.5990   1.1500 0.1640000 1.681000 
1 1 1   18    8    0 o   46.000   0.2601   46.260   0.3943   45.740   0.3392 0.5208000 0.5201000 
1 1 1   18    8    1 o   26.260   0.1713   26.380   0.2574   26.150   0.2262 0.2323000 0.3427000 
1 1 1   18    8    2 o   21.370   0.1949   22.100   0.3026   20.650   0.2457 1.450000 0.3898000 
1 1 1   18    8    3 o   10.820   0.2446   11.320   0.3437   10.320   0.3481 1.004000 0.4892000 
1 1 1   18    8    4 o   9.5030   0.2154   9.6830   0.3006   9.3220   0.3086 0.3605000 0.4308000 
1 1 1   18    8    5 o   13.380   0.1875   13.320   0.2651   13.440   0.2653 -0.1212000 0.3751000 
1 1 1   18    8    6 o   44.560   0.2750   44.540   0.3881   44.590   0.3898 -0.4676000E-01 0.5501000 
1 1 1   18    8    7 o   46.540   0.2858   46.740   0.4057   46.330   0.4026 0.4024000 0.5715000 
1 1 1   18    8    8 o   40.390   0.2571   40.440   0.3643   40.350   0.3629 0.8276000E-01 0.5142000 
1 1 1   18    8    9 o   17.940   0.1992   17.920   0.2848   17.950   0.2785 -0.2347000E-01 0.3983000 
1 1 1   18    8   10 o   21.560   0.2037   21.930   0.2928   21.200   0.2834 0.7306000 0.4075000 
1 1 1   18    8   11 o   35.880   0.2695   35.870   0.4153   35.880   0.3436 -0.2182000E-02 0.5390000 
1 1 1   18    8   12 o   13.750   0.3673   13.680   0.5856   13.820   0.4434 -0.1344000 0.7345000 
1 1 1   18    8   13 o   5.8050   0.7275   5.6000   1.0930   6.0090   0.9607 -0.4094000 1.455000 
1 1 1   18    8   14 o   34.180   0.2468   34.230   0.3507   34.140   0.3475 0.9096000E-01 0.4937000 
1 1 1   18    8   15 o   20.000   0.2312   19.980   0.3304   20.020   0.3235 -0.3760000E-01 0.4624000 
1 1 1   18    8   16 o   15.220   0.2552   15.290   0.3652   15.160   0.3566 0.1274000 0.5105000 
1 1 1   18    8   17 o   9.7960   0.5147   10.250   0.6404   9.3400   0.8061 0.9132000 1.029000 
1 1 1   18    8   18 o   6.5350   0.5689   6.7470   0.6996   6.3230   0.8972 0.4236000 1.138000 
1 1 1   18    8   19 o   9.3530   0.3771   9.0090   0.5604   9.6970   0.5049 -0.6887000 0.7543000 
1 1 1   18    8   20 o   6.5070   0.5168   6.5150   0.7373   6.4990   0.7245 0.1555000E-01 1.034000 
1 1 1   18    8   21 o   5.6770   0.5887   5.3520   0.8886   6.0030   0.7725 -0.6514000 1.177000 
1 1 1   18    8   22 o   2.3540   0.7208   2.4260   1.0360   2.2820   1.0030 0.1439000 1.442000 
1 1 1   18    8   23 o   6.4860   0.5163   6.1840   0.7579   6.7880   0.7014 -0.6040000 1.033000 
1 1 1   18    8   24 o   2.1140   0.6529   2.5720   1.0140   1.6570   0.8232 0.9159000 1.306000 
1 1 1   18    8   25 o   2.8000   0.8085   2.0910   0.9839   3.5080   1.2830 -1.417000 1.617000 
1 1 1   18    8   26 o   2.7320   0.7598   2.6730   1.0400   2.7900   1.1080 -0.1164000 1.520000 
1 1 1   18    8   27 o   2.3890   0.7267   2.1160   0.9479   2.6620   1.1020 -0.5459000 1.453000 
1 1 1   18    8   28 o   3.5740   0.8001   3.7500   1.1000   3.3990   1.1620 0.3510000 1.600000 
1 1 1   18    8   29 o   1.9350   0.6815   1.7960   0.8954   2.0740   1.0280 -0.2779000 1.363000 
1 1 1   18    8   30 o   2.1000   0.6828   1.9620   0.9164   2.2370   1.0120 -0.2751000 1.366000 
1 1 1   18   10    0 o   33.650   0.1921   33.590   0.2712   33.720   0.2722 -0.1337000 0.3843000 
1 1 1   18   10    1 o   9.8940   0.2153   9.9240   0.3206   9.8630   0.2874 0.6057000E-01 0.4306000 
1 1 1   18   10    2 o   46.080   0.2650   46.520   0.4028   45.630   0.3445 0.8942000 0.5300000 
1 1 1   18   10    3 o   20.590   0.1712   20.370   0.2544   20.800   0.2291 -0.4298000 0.3424000 
1 1 1   18   10    4 o   11.060   0.2212   10.850   0.3123   11.270   0.3132 -0.4227000 0.4423000 
1 1 1   18   10    5 o   29.530   0.2090   29.500   0.2960   29.560   0.2952 -0.5297000E-01 0.4181000 
1 1 1   18   10    6 o   12.410   0.2230   12.430   0.3134   12.400   0.3173 0.3517000E-01 0.4460000 
1 1 1   18   10    7 o   66.190   0.3939   65.820   0.5540   66.560   0.5601 -0.7394000 0.7878000 
1 1 1   18   10    8 o   28.700   0.2163   28.830   0.3057   28.580   0.3062 0.2471000 0.4327000 
1 1 1   18   10    9 o   10.830   0.2924   10.640   0.4413   11.030   0.3835 -0.3917000 0.5847000 
1 1 1   18   10   10 o   38.930   0.2860   38.820   0.4392   39.030   0.3663 -0.2071000 0.5720000 
1 1 1   18   10   11 f   37.060   0.3148   37.270   0.4492   36.860   0.4411 0.4064000 0.6295000 
1 1 1   18   10   12 o   16.530   0.2445   16.570   0.3477   16.480   0.3437 0.8975000E-01 0.4889000 
1 1 1   18   10   13 o   10.090   0.3420   10.410   0.4756   9.7690   0.4915 0.6397000 0.6840000 
1 1 1   18   10   14 o   27.020   0.2324   27.070   0.3314   26.960   0.3259 0.1170000 0.4648000 
1 1 1   18   10   15 o   14.690   0.2914   14.650   0.3912   14.730   0.4319 -0.8369000E-01 0.5827000 
1 1 1   18   10   16 o   16.760   0.3678   17.160   0.4785   16.350   0.5588 0.8066000 0.7357000 
1 1 1   18   10   17 o   12.380   0.3862   12.900   0.5705   11.860   0.5208 1.036000 0.7725000 
1 1 1   18   10   18 o   8.6250   0.4049   8.4230   0.6056   8.8270   0.5377 -0.4034000 0.8098000 
1 1 1   18   10   19 f   7.4860   0.4501   7.5440   0.6469   7.4280   0.6260 0.1161000 0.9002000 
1 1 1   18   10   20 o   3.1770   0.7626   2.4910   1.0580   3.8630   1.0980 -1.372000 1.525000 
1 1 1   18   10   21 o   4.0360   0.7702   4.0120   1.1130   4.0600   1.0650 -0.4798000E-01 1.540000 
1 1 1   18   10   22 o   6.1560   0.5632   5.9690   0.8441   6.3430   0.7459 -0.3745000 1.126000 
1 1 1   18   10   23 o   3.9190   0.7788   4.1110   1.0840   3.7270   1.1190 0.3838000 1.558000 
1 1 1   18   10   24 o   3.7760   0.9616   4.0340   1.4200   3.5170   1.2970 0.5175000 1.923000 
1 1 1   18   10   25 o   2.9180   0.7705   2.1380   1.0140   3.6980   1.1600 -1.560000 1.541000 
1 1 1   18   10   26 o   3.9660   0.8198   3.7270   1.1780   4.2050   1.1400 -0.4787000 1.640000 
1 1 1   18   10   27 o   2.0900   0.6701   1.5490   0.7657   2.6320   1.1000 -1.083000 1.340000 
1 1 1   18   10   28 o   2.5320   0.7903   2.2520   1.0230   2.8120   1.2050 -0.5602000 1.581000 
1 1 1   18   10   29 f   2.3000   0.7492   2.1000   0.9896   2.5000   1.1250 -0.3995000 1.498000 
1 1 1   18   12    0 o   18.490   0.1700   18.340   0.2414   18.640   0.2393 -0.2993000 0.3399000 
1 1 1   18   12    1 o   40.440   0.2421   40.310   0.3643   40.580   0.3188 -0.2698000 0.4841000 
1 1 1   18   12    2 o   10.870   0.2759   11.470   0.4279   10.270   0.3483 1.195000 0.5518000 
1 1 1   18   12    3 o   22.950   0.1861   22.940   0.2794   22.970   0.2458 -0.3172000E-01 0.3722000 
1 1 1   18   12    4 o   31.590   0.2265   31.730   0.3161   31.440   0.3245 0.2888000 0.4530000 
1 1 1   18   12    5 o   35.770   0.2415   36.080   0.3436   35.470   0.3394 0.6059000 0.4830000 
1 1 1   18   12    6 o   25.530   0.2088   25.540   0.2967   25.520   0.2939 0.2446000E-01 0.4176000 
1 1 1   18   12    7 o   48.830   0.3386   48.800   0.5222   48.860   0.4310 -0.6553000E-01 0.6771000 
1 1 1   18   12    8 o   53.080   0.3646   53.500   0.5655   52.670   0.4602 0.8319000 0.7291000 
1 1 1   18   12    9 o   8.3740   0.5013   8.7200   0.6530   8.0290   0.7608 0.6906000 1.003000 
1 1 1   18   12   10 o   36.900   0.3189   36.750   0.4482   37.050   0.4538 -0.3082000 0.6378000 
1 1 1   18   12   11 o   23.660   0.2263   23.560   0.3202   23.760   0.3199 -0.1991000 0.4526000 
1 1 1   18   12   12 o   21.870   0.2286   21.650   0.3257   22.090   0.3210 -0.4378000 0.4573000 
1 1 1   18   12   13 o   6.3920   0.5336   6.0370   0.8127   6.7460   0.6916 -0.7087000 1.067000 
1 1 1   18   12   14 o   3.7580   0.8229   3.7020   1.1470   3.8140   1.1800 -0.1119000 1.646000 
1 1 1   18   12   15 o   11.570   0.3973   11.910   0.5753   11.230   0.5481 0.6813000 0.7946000 
1 1 1   18   12   16 o   9.5850   0.3649   9.2140   0.5481   9.9560   0.4821 -0.7422000 0.7299000 
1 1 1   18   12   17 o   3.1850   0.7453   2.3790   1.0310   3.9900   1.0770 -1.611000 1.491000 
1 1 1   18   12   18 o   5.1930   0.6505   5.2870   0.9387   5.0990   0.9008 0.1880000 1.301000 
1 1 1   18   12   19 o   5.8280   0.5870   5.6570   0.8859   6.0000   0.7702 -0.3424000 1.174000 
1 1 1   18   12   20 f   4.2160   0.7567   3.7080   1.1660   4.7230   0.9647 -1.015000 1.513000 
1 1 1   18   12   21 o   2.7540   0.7719   2.5150   1.0680   2.9940   1.1140 -0.4792000 1.544000 
1 1 1   18   12   22 o   5.0840   0.6806   4.2170   1.1270   5.9500   0.7632 -1.733000 1.361000 
1 1 1   18   12   23 o   4.8020   0.8193   3.9300   1.2050   5.6740   1.1110 -1.744000 1.639000 
1 1 1   18   12   24 o   2.9370   0.8399   2.1850   1.0280   3.6880   1.3290 -1.504000 1.680000 
1 1 1   18   12   25 o   3.3420   0.8345   3.3410   1.1840   3.3420   1.1760 -0.8948000E-03 1.669000 
1 1 1   18   12   26 o   2.8220   0.7855   3.2560   1.1720   2.3890   1.0470 0.8670000 1.571000 
1 1 1   18   12   27 o   2.6130   0.7793   1.8190   0.8808   3.4060   1.2860 -1.587000 1.559000 
1 1 1   18   12   28 o   2.6410   0.8279   3.0150   1.2730   2.2670   1.0590 0.7486000 1.656000 
1 1 1   18   14    0 o   17.240   0.1853   17.070   0.2599   17.420   0.2642 -0.3463000 0.3706000 
1 1 1   18   14    1 o   24.540   0.2071   25.160   0.2937   23.910   0.2919 1.241000 0.4141000 
1 1 1   18   14    2 o   25.740   0.2333   25.700   0.3595   25.770   0.2975 -0.6840000E-01 0.4667000 
1 1 1   18   14    3 o   33.670   0.2613   33.680   0.4013   33.660   0.3349 0.1599000E-01 0.5227000 
1 1 1   18   14    4 o   20.820   0.2275   20.830   0.3432   20.820   0.2987 0.1799000E-01 0.4550000 
1 1 1   18   14    5 o   17.060   0.2245   16.870   0.3203   17.250   0.3146 -0.3797000 0.4490000 
1 1 1   18   14    6 o   24.650   0.2065   24.840   0.3096   24.450   0.2732 0.3933000 0.4129000 
1 1 1   18   14    7 o   25.060   0.2823   25.160   0.3967   24.970   0.4016 0.1905000 0.5645000 
1 1 1   18   14    8 o   10.710   0.4033   10.670   0.5770   10.750   0.5637 -0.8691000E-01 0.8066000 
1 1 1   18   14    9 o   7.1330   0.4790   8.0540   0.5978   6.2120   0.7487 1.842000 0.9580000 
1 1 1   18   14   10 o   6.3670   0.5359   6.0210   0.8098   6.7130   0.7020 -0.6921000 1.072000 
1 1 1   18   14   11 o   29.550   0.2416   29.690   0.3425   29.410   0.3408 0.2740000 0.4831000 
1 1 1   18   14   12 o   14.610   0.2937   14.760   0.3935   14.470   0.4360 0.2873000 0.5873000 
1 1 1   18   14   13 o   4.4480   0.8764   3.8640   1.3300   5.0310   1.1410 -1.167000 1.753000 
1 1 1   18   14   14 o   11.070   0.4111   10.870   0.6235   11.280   0.5361 -0.4124000 0.8223000 
1 1 1   18   14   15 o   11.080   0.3289   11.190   0.4737   10.960   0.4564 0.2338000 0.6578000 
1 1 1   18   14   16 o  10.0000   0.3546   10.060   0.5164   9.9450   0.4862 0.1164000 0.7093000 
1 1 1   18   14   17 o   6.0980   0.5413   6.3650   0.7557   5.8300   0.7753 0.5357000 1.083000 
1 1 1   18   14   18 o   4.4760   0.6890   3.1020   1.1320   5.8490   0.7858 -2.746000 1.378000 
1 1 1   18   14   19 o   4.2360   0.7405   3.6670   1.1500   4.8060   0.9328 -1.139000 1.481000 
1 1 1   18   14   20 o   9.0520   0.3891   9.3960   0.5487   8.7080   0.5518 0.6878000 0.7782000 
1 1 1   18   14   21 o   3.6100   0.7891   3.2830   1.1570   3.9380   1.0740 -0.6549000 1.578000 
1 1 1   18   14   22 o   2.6940   0.8337   2.3520   1.1170   3.0350   1.2380 -0.6837000 1.667000 
1 1 1   18   14   23 o   3.2580   0.8631   3.4570   1.3000   3.0590   1.1360 0.3989000 1.726000 
1 1 1   18   14   24 o   7.9130   0.4680   7.9650   0.6730   7.8610   0.6506 0.1043000 0.9361000 
1 1 1   18   14   25 o   5.6970   0.6505   5.9590   0.8912   5.4350   0.9478 0.5237000 1.301000 
1 1 1   18   14   26 o   2.9820   0.8192   3.5280   1.2120   2.4360   1.1020 1.093000 1.638000 
1 1 1   18   14   27 o   3.4020   0.9366   3.4540   1.3780   3.3500   1.2690 0.1043000 1.873000 
1 1 1   18   16    0 o   27.730   0.1970   27.800   0.2793   27.660   0.2779 0.1384000 0.3940000 
1 1 1   18   16    1 o   25.370   0.1965   25.600   0.2813   25.140   0.2744 0.4556000 0.3929000 
1 1 1   18   16    2 o   33.400   0.2475   33.510   0.3494   33.300   0.3507 0.2110000 0.4950000 
1 1 1   18   16    3 o   27.440   0.2603   27.710   0.4034   27.170   0.3292 0.5394000 0.5207000 
1 1 1   18   16    4 o   14.310   0.2996   14.140   0.4626   14.490   0.3809 -0.3489000 0.5992000 
1 1 1   18   16    5 o   26.360   0.2508   26.310   0.4137   26.400   0.2838 -0.8859000E-01 0.5016000 
1 1 1   18   16    6 o   25.060   0.2166   24.860   0.3271   25.260   0.2840 -0.3963000 0.4332000 
1 1 1   18   16    7 o   10.930   0.3062   10.740   0.4677   11.130   0.3953 -0.3897000 0.6124000 
1 1 1   18   16    8 o   15.120   0.2702   15.460   0.3727   14.780   0.3912 0.6879000 0.5403000 
1 1 1   18   16    9 o   11.800   0.3395   12.090   0.4387   11.500   0.5182 0.5873000 0.6790000 
1 1 1   18   16   10 o   18.560   0.2654   18.790   0.3514   18.330   0.3977 0.4567000 0.5307000 
1 1 1   18   16   11 o   20.110   0.3029   20.270   0.4374   19.960   0.4191 0.3108000 0.6057000 
1 1 1   18   16   12 o   17.080   0.3238   16.920   0.4713   17.240   0.4443 -0.3128000 0.6477000 
1 1 1   18   16   13 o   12.750   0.3033   13.480   0.4124   12.020   0.4448 1.459000 0.6066000 
1 1 1   18   16   14 o   3.2940   0.7842   3.9460   1.1430   2.6410   1.0750 1.306000 1.568000 
1 1 1   18   16   15 o   2.3260   0.7214   2.4220   1.0520   2.2290   0.9873 0.1922000 1.443000 
1 1 1   18   16   16 o   7.7180   0.4383   8.3830   0.6001   7.0540   0.6390 1.329000 0.8766000 
1 1 1   18   16   17 f   3.2920   0.7987   3.2430   1.1400   3.3410   1.1190 -0.9772000E-01 1.597000 
1 1 1   18   16   18 o   12.270   0.3113   12.380   0.4451   12.160   0.4354 0.2194000 0.6226000 
1 1 1   18   16   19 o   5.7340   0.5902   6.0490   0.8087   5.4190   0.8600 0.6300000 1.180000 
1 1 1   18   16   20 o   6.2280   0.6065   7.4760   0.7654   4.9800   0.9410 2.496000 1.213000 
1 1 1   18   16   21 o   4.5540   0.8959   4.8620   1.2280   4.2470   1.3050 0.6142000 1.792000 
1 1 1   18   16   22 o   2.3420   0.7273   2.2000   1.0040   2.4850   1.0530 -0.2845000 1.455000 
1 1 1   18   16   23 o   2.0860   0.6798   1.9330   0.9159   2.2390   1.0050 -0.3066000 1.360000 
1 1 1   18   16   24 o   3.1580   0.8225   3.1580   1.1600   3.1570   1.1670 0.4728000E-03 1.645000 
1 1 1   18   16   25 o   2.5420   0.7843   2.6050   1.0990   2.4790   1.1190 0.1259000 1.569000 
1 1 1   18   16   26 o   2.9090   0.8671   2.8460   1.2370   2.9710   1.2150 -0.1248000 1.734000 
1 1 1   18   18    0 o   15.820   0.2212   16.280   0.3055   15.360   0.3201 0.9148000 0.4425000 
1 1 1   18   18    1 o   12.640   0.2573   12.710   0.3628   12.560   0.3649 0.1505000 0.5146000 
1 1 1   18   18    2 o   27.090   0.2214   27.370   0.3365   26.810   0.2878 0.5517000 0.4428000 
1 1 1   18   18    3 o   20.520   0.2365   20.760   0.3419   20.270   0.3268 0.4865000 0.4730000 
1 1 1   18   18    4 o   8.0090   0.4087   8.4110   0.5563   7.6070   0.5989 0.8042000 0.8174000 
1 1 1   18   18    5 o   8.0890   0.4080   8.4920   0.5700   7.6870   0.5841 0.8049000 0.8161000 
1 1 1   18   18    6 o   4.0640   0.7338   3.8590   1.1250   4.2690   0.9423 -0.4095000 1.468000 
1 1 1   18   18    7 o   27.980   0.2255   27.780   0.3413   28.190   0.2949 -0.4069000 0.4511000 
1 1 1   18   18    8 o   10.360   0.3991   10.750   0.6130   9.9630   0.5112 0.7875000 0.7982000 
1 1 1   18   18    9 o   17.140   0.2950   17.190   0.4647   17.090   0.3635 0.1008000 0.5900000 
1 1 1   18   18   10 o   8.5880   0.4115   8.7240   0.5746   8.4520   0.5891 0.2720000 0.8229000 
1 1 1   18   18   11 o   19.730   0.2443   20.130   0.3474   19.330   0.3435 0.8013000 0.4886000 
1 1 1   18   18   12 o   7.9860   0.4435   7.8150   0.6487   8.1570   0.6050 -0.3423000 0.8870000 
1 1 1   18   18   13 o   4.4480   0.7525   4.2540   1.1180   4.6410   1.0080 -0.3866000 1.505000 
1 1 1   18   18   14 o   8.9770   0.3971   9.5810   0.5370   8.3720   0.5850 1.210000 0.7941000 
1 1 1   18   18   15 o   6.5380   0.5245   6.7130   0.7390   6.3640   0.7444 0.3489000 1.049000 
1 1 1   18   18   16 o   6.9660   0.5036   7.0170   0.7349   6.9160   0.6889 0.1007000 1.007000 
1 1 1   18   18   17 o   5.4840   0.6499   4.7280   1.0510   6.2400   0.7644 -1.513000 1.300000 
1 1 1   18   18   18 o   3.2880   0.8225   3.2510   1.2050   3.3260   1.1190 -0.7508000E-01 1.645000 
1 1 1   18   18   19 f   2.3930   0.7736   2.2260   1.0370   2.5610   1.1480 -0.3353000 1.547000 
1 1 1   18   18   20 o   3.2080   0.8931   3.1250   1.2430   3.2910   1.2820 -0.1660000 1.786000 
1 1 1   18   18   21 o   2.0810   0.6822   2.2320   1.0150   1.9310   0.9116 0.3014000 1.364000 
1 1 1   18   18   22 o   5.3870   0.6806   5.0410   1.0420   5.7320   0.8761 -0.6902000 1.361000 
1 1 1   18   18   23 o   2.0150   0.6775   1.8820   0.9017   2.1480   1.0110 -0.2661000 1.355000 
1 1 1   18   18   24 o   2.5890   0.8300   1.9940   0.9718   3.1850   1.3460 -1.191000 1.660000 
1 1 1   18   18   25 o   2.0520   1.0010   2.0520   1.0010  ?   ?       ?      ? 
1 1 1   18   20    0 o   9.8300   0.3135   10.270   0.4220   9.3910   0.4637 0.8777000 0.6270000 
1 1 1   18   20    1 o   5.0400   0.5740   5.2130   0.7785   4.8670   0.8436 0.3453000 1.148000 
1 1 1   18   20    2 o   4.5590   0.6922   5.1970   0.9612   3.9220   0.9962 1.274000 1.384000 
1 1 1   18   20    3 o   22.730   0.2234   22.490   0.3404   22.970   0.2895 -0.4853000 0.4469000 
1 1 1   18   20    4 o   20.000   0.2739   19.770   0.4261   20.230   0.3443 -0.4608000 0.5478000 
1 1 1   18   20    5 o   23.500   0.3409  ?   ?    23.500   0.3409      ?      ? 
1 1 1   18   20    6 o   16.910   0.2947   16.410   0.4623   17.420   0.3656 -1.009000 0.5895000 
1 1 1   18   20    7 o   5.5910   0.5669   5.9150   0.8079   5.2660   0.7956 0.6487000 1.134000 
1 1 1   18   20    8 o   12.400   0.2882   12.710   0.4327   12.080   0.3809 0.6281000 0.5764000 
1 1 1   18   20    9 o   13.810   0.2730   14.060   0.4108   13.560   0.3598 0.5069000 0.5461000 
1 1 1   18   20   10 o   11.650   0.3096   11.450   0.4795   11.840   0.3917 -0.3857000 0.6192000 
1 1 1   18   20   11 o   3.1030   0.7744   3.5530   1.1570   2.6540   1.0290 0.8991000 1.549000 
1 1 1   18   20   12 o   6.1330   0.5700   6.5920   0.7537   5.6750   0.8554 0.9166000 1.140000 
1 1 1   18   20   13 o   5.5480   0.6468   5.7930   0.8742   5.3020   0.9534 0.4918000 1.294000 
1 1 1   18   20   14 o   3.2500   0.8109   3.6290   1.1650   2.8710   1.1290 0.7580000 1.622000 
1 1 1   18   20   15 o   3.7530   0.8194   3.9340   1.1680   3.5720   1.1500 0.3613000 1.639000 
1 1 1   18   20   16 o   3.0910   0.7900   3.8940   1.2180   2.2870   1.0060 1.608000 1.580000 
1 1 1   18   20   17 o   3.1850   0.8696   2.7360   1.1700   3.6350   1.2870 -0.8990000 1.739000 
1 1 1   18   20   18 o   5.1560   0.8377   4.7820   1.2290   5.5290   1.1390 -0.7467000 1.675000 
1 1 1   18   20   19 o   8.0640   0.4610   7.8430   0.6906   8.2850   0.6107 -0.4422000 0.9219000 
1 1 1   18   20   20 o   3.2940   0.8181   2.8940   1.1550   3.6950   1.1590 -0.8006000 1.636000 
1 1 1   18   20   21 o   2.7830   0.8005   3.0010   1.1730   2.5640   1.0900 0.4363000 1.601000 
1 1 1   18   20   22 o   2.4290   0.7436   2.9680   1.1680   1.8900   0.9202 1.078000 1.487000 
1 1 1   18   20   23 o   2.2190   0.7425   2.5510   1.1650   1.8870   0.9212 0.6640000 1.485000 
1 1 1   18   22    0 o   4.4190   0.7551   5.7460   1.0780   3.0920   1.0580 2.654000 1.510000 
1 1 1   18   22    1 o   7.6450   0.5026   7.4370   0.8524   7.8520   0.5327 -0.4154000 1.005000 
1 1 1   18   22    2 o   12.290   0.2921   12.210   0.4526   12.370   0.3694 -0.1611000 0.5842000 
1 1 1   18   22    3 o   11.330   0.3081   11.600   0.4655   11.060   0.4036 0.5473000 0.6161000 
1 1 1   18   22    4 o   3.7740   0.7010   5.0890   0.9769   2.4600   1.0060 2.629000 1.402000 
1 1 1   18   22    5 o   2.8610   0.7602   3.3290   1.1460   2.3930   0.9996 0.9362000 1.520000 
1 1 1   18   22    6 o   5.8830   0.5812   4.9870   0.9874   6.7790   0.6136 -1.792000 1.162000 
1 1 1   18   22    7 o   7.3580   0.4417   7.2240   0.6725   7.4930   0.5729 -0.2688000 0.8834000 
1 1 1   18   22    8 o   3.4640   0.7742   3.7970   1.1350   3.1300   1.0530 0.6668000 1.548000 
1 1 1   18   22    9 o   3.4860   0.7254   2.7800   1.1070   4.1910   0.9377 -1.411000 1.451000 
1 1 1   18   22   10 o   2.5280   0.7340   2.4070   1.0490   2.6500   1.0260 -0.2424000 1.468000 
1 1 1   18   22   11 f   2.7630   0.7306   3.6100   1.1660   1.9160   0.8812 1.693000 1.461000 
1 1 1   18   22   12 o   7.8660   0.4802   8.2750   0.7249   7.4570   0.6301 0.8173000 0.9605000 
1 1 1   18   22   13 o   15.030   0.3103   15.070   0.4868   14.990   0.3849 0.8561000E-01 0.6206000 
1 1 1   18   22   14 o   3.7930   0.8136   4.3480   1.1390   3.2380   1.1630 1.111000 1.627000 
1 1 1   18   22   15 o   4.3810   0.9565   4.6300   1.2880   4.1310   1.4150 0.4991000 1.913000 
1 1 1   18   22   16 o   3.0540   0.8440   2.9140   1.2140   3.1950   1.1730 -0.2807000 1.688000 
1 1 1   18   22   17 o   2.3510   0.7366   2.4710   1.0670   2.2310   1.0160 0.2408000 1.473000 
1 1 1   18   22   18 o   2.1690   0.7028   2.0000   0.9473   2.3390   1.0390 -0.3381000 1.406000 
1 1 1   18   22   19 o   6.0900   0.6885   5.0690   1.0550   7.1110   0.8845 -2.042000 1.377000 
1 1 1   18   22   20 o   2.6030   0.7977   2.5520   1.0940   2.6540   1.1610 -0.1025000 1.595000 
1 1 1   18   22   21 o   1.9640   0.6783   1.8730   0.9303   2.0550   0.9872 -0.1821000 1.357000 
1 1 1   18   24    0 o   2.5170   0.6983   2.0680   0.9257   2.9660   1.0460 -0.8980000 1.397000 
1 1 1   18   24    1 f   8.2440   0.3719   8.4740   0.5228   8.0150   0.5290 0.4584000 0.7437000 
1 1 1   18   24    2 o   4.9040   0.9018   4.6310   1.6060   5.1770   0.8206 -0.5458000 1.804000 
1 1 1   18   24    3 o   7.4360   0.8044   6.2640   1.5270   8.6090   0.5053 -2.345000 1.609000 
1 1 1   18   24    4 o   6.9830   0.7585   6.9620   1.3950   7.0050   0.5955 -0.4342000E-01 1.517000 
1 1 1   18   24    5 o   12.150   0.3012   11.760   0.4662   12.530   0.3816 -0.7707000 0.6025000 
1 1 1   18   24    6 o   3.5130   0.7361   2.7410   1.1080   4.2850   0.9694 -1.544000 1.472000 
1 1 1   18   24    7 o   6.5730   0.5085   6.1900   0.8121   6.9570   0.6121 -0.7664000 1.017000 
1 1 1   18   24    8 o   7.1350   0.5165   8.0390   0.7299   6.2320   0.7311 1.806000 1.033000 
1 1 1   18   24    9 o   4.7980   0.7841   4.9450   1.2040   4.6500   1.0050 0.2957000 1.568000 
1 1 1   18   24   10 o   2.8000   0.7428   2.3500   1.0440   3.2510   1.0570 -0.9006000 1.486000 
1 1 1   18   24   11 o   6.9630   0.5239   8.0030   0.7691   5.9230   0.7116 2.079000 1.048000 
1 1 1   18   24   12 o   3.5400   0.8362   2.8090   1.1930   4.2710   1.1720 -1.462000 1.672000 
1 1 1   18   24   13 o   2.4760   0.7770   2.4960   1.1170   2.4570   1.0810 0.3890000E-01 1.554000 
1 1 1   18   24   14 o   1.6670   0.5762   1.7110   0.8396   1.6240   0.7894 0.8720000E-01 1.152000 
1 1 1   18   24   15 o   2.2430   0.7055   2.4120   1.0540   2.0740   0.9375 0.3387000 1.411000 
1 1 1   18   24   16 o   1.7920   0.6214   1.6690   0.8241   1.9160   0.9303 -0.2471000 1.243000 
1 1 1   18   24   17 o   2.9510   0.8330   3.2240   1.1910   2.6770   1.1650 0.5468000 1.666000 
1 1 1   18   24   18 o   2.7010   0.8519   2.9410   1.2750   2.4610   1.1300 0.4802000 1.704000 
1 1 1   18   26    0 o   4.3020   0.7417   3.3620   1.1410   5.2430   0.9482 -1.881000 1.483000 
1 1 1   18   26    1 o   6.2880   0.5407   6.4000   0.7517   6.1770   0.7775 0.2232000 1.081000 
1 1 1   18   26    2 o   10.820   0.3948   10.530   0.6261   11.110   0.4810 -0.5754000 0.7895000 
1 1 1   18   26    3 o   8.5870   0.4061   8.8860   0.6103   8.2870   0.5358 0.5987000 0.8121000 
1 1 1   18   26    4 o   3.3220   0.7631   2.7310   1.1350   3.9130   1.0210 -1.182000 1.526000 
1 1 1   18   26    5 o   3.4480   0.8856   3.2150   1.4300   3.6800   1.0450 -0.4656000 1.771000 
1 1 1   18   26    6 o   3.4810   0.9430   3.7890   1.5530   3.1730   1.0710 0.6163000 1.886000 
1 1 1   18   26    7 o   2.2860   0.7830   2.6540   1.2700   1.9180   0.9157 0.7356000 1.566000 
1 1 1   18   26    8 o   2.7460   0.8016   2.4050   1.0950   3.0860   1.1710 -0.6811000 1.603000 
1 1 1   18   26    9 f   7.8930   0.5359   7.6940   0.8305   8.0910   0.6775 -0.3970000 1.072000 
1 1 1   18   26   10 o   3.1160   0.7793   2.7010   1.1160   3.5300   1.0880 -0.8290000 1.559000 
1 1 1   18   26   11 o   2.4210   0.7097   1.9060   0.9114   2.9360   1.0880 -1.030000 1.419000 
1 1 1   18   26   12 o   4.0190   0.7738   3.4700   1.2060   4.5680   0.9693 -1.098000 1.548000 
1 1 1   18   26   13 o   6.1260   0.6197   5.4450   0.9980   6.8070   0.7350 -1.362000 1.239000 
1 1 1   18   26   14 o   3.7400   0.8497   3.6560   1.2230   3.8240   1.1800 -0.1681000 1.699000 
1 1 1   18   26   15 o   2.1470   0.6919   2.5400   1.0980   1.7540   0.8423 0.7861000 1.384000 
1 1 1   18   28    0 o   2.3590   0.7351   2.6330   1.1110   2.0850   0.9634 0.5484000 1.470000 
1 1 1   18   28    1 o   3.7740   0.8366   3.5060   1.2060   4.0420   1.1590 -0.5357000 1.673000 
1 1 1   18   28    2 o   7.5230   0.6031   6.5070   1.0290   8.5390   0.6296 -2.033000 1.206000 
1 1 1   18   28    3 o   3.0450   0.8569   3.3680   1.2990   2.7220   1.1170 0.6457000 1.714000 
1 1 1   18   28    4 o   1.7290   0.5973   1.9990   0.9497   1.4580   0.7247 0.5413000 1.195000 
1 1 1   18   28    5 o   2.8820   0.7821   2.7160   1.1200   3.0480   1.0920 -0.3316000 1.564000 
1 1 1   18   28    6 f   2.4970   0.7459   2.8810   1.1540   2.1130   0.9450 0.7685000 1.492000 
1 1 1   18   28    7 o   2.8640   0.7690   2.2300   1.0140   3.4980   1.1560 -1.267000 1.538000 
1 1 1   18   28    8 f   2.5690   0.8462   2.8350   1.3460   2.3040   1.0260 0.5311000 1.692000 
1 1 1   18   28    9 o   2.5840   0.8235   2.5400   1.2300   2.6270   1.0960 -0.8699000E-01 1.647000 
1 1 1   18   28   10 o   2.9510   0.8229   2.5150   1.2110   3.3870   1.1150 -0.8715000 1.646000 
1 1 1   18   28   11 o   2.2350   0.7148   2.3710   1.0670   2.0980   0.9517 0.2725000 1.430000 
1 1 1   18   30    0 o   1.8290   0.6120   1.6520   0.8058   2.0050   0.9213 -0.3530000 1.224000 
1 1 1   18   30    1 o   2.3280   0.7071   2.6350   1.0680   2.0210   0.9274 0.6141000 1.414000 
1 1 1   18   30    2 o   2.3440   0.7266   2.2480   1.0280   2.4410   1.0280 -0.1926000 1.453000 
1 1 1   18   30    3 o   3.3980   0.7900   2.8580   1.1590   3.9380   1.0740 -1.080000 1.580000 
1 1 1   18   30    4 o   1.9160   0.6467   2.3760   1.0700   1.4560   0.7266 0.9197000 1.293000 
1 1 1   19    1    0 o   26.430   0.2410   25.830   0.3857   27.030   0.2892 -1.202000 0.4821000 
1 1 1   19    1    1 o   40.480   0.2932   40.190   0.4130   40.760   0.4162 -0.5746000 0.5864000 
1 1 1   19    1    2 o   27.560   0.1945   27.510   0.3023   27.620   0.2450 -0.1053000 0.3891000 
1 1 1   19    1    3 o   4.9530   0.2918   5.4450   0.4223   4.4600   0.4028 0.9849000 0.5836000 
1 1 1   19    1    4 o   4.3150   0.3106   4.2380   0.4414   4.3920   0.4370 -0.1542000 0.6212000 
1 1 1   19    1    5 o   11.140   0.1887   11.000   0.3004   11.270   0.2283 -0.2705000 0.3773000 
1 1 1   19    1    6 o   12.100   0.2571   12.770   0.2861   11.440   0.4273 1.336000 0.5142000 
1 1 1   19    1    7 o   21.740   0.1555   21.810   0.2039   21.680   0.2349 0.1306000 0.3111000 
1 1 1   19    1    8 o   12.200   0.1703   12.200   0.2218   12.190   0.2586 0.9237000E-02 0.3407000 
1 1 1   19    1    9 o   5.9080   0.3135   6.0110   0.3977   5.8060   0.4847 0.2055000 0.6270000 
1 1 1   19    1   10 o   19.540   0.1695   19.640   0.2221   19.440   0.2561 0.1930000 0.3390000 
1 1 1   19    1   11 o   6.9190   0.3291   7.4360   0.4023   6.4010   0.5209 1.035000 0.6581000 
1 1 1   19    1   12 o   35.360   0.2518   34.760   0.2862   35.960   0.4143 -1.201000 0.5036000 
1 1 1   19    1   13 o   11.840   0.2409   11.390   0.3193   12.300   0.3608 -0.9121000 0.4819000 
1 1 1   19    1   14 f   33.220   0.2873   33.220   0.4040   33.220   0.4085 -0.6695000E-02 0.5745000 
1 1 1   19    1   15 o   2.6190   0.7396   2.4630   0.9962   2.7740   1.0940 -0.3104000 1.479000 
1 1 1   19    1   16 o   18.000   0.2188   17.800   0.2876   18.200   0.3299 -0.3987000 0.4376000 
1 1 1   19    1   17 o   16.510   0.2295   16.550   0.2967   16.480   0.3503 0.6936000E-01 0.4591000 
1 1 1   19    1   18 o   20.850   0.2150   21.070   0.2790   20.630   0.3272 0.4400000 0.4300000 
1 1 1   19    1   19 o   5.1780   1.0920   4.8010   1.5700   5.5550   1.5170 -0.7544000 2.183000 
1 1 1   19    1   20 o   10.180   0.3416   10.480   0.4654   9.8800   0.5000 0.6038000 0.6831000 
1 1 1   19    1   21 o   3.7840   0.7811   4.2590   1.0740   3.3090   1.1350 0.9502000 1.562000 
1 1 1   19    1   22 o   3.6470   0.7846   3.1510   1.1280   4.1430   1.0910 -0.9923000 1.569000 
1 1 1   19    1   23 o   11.800   0.3130   11.530   0.4461   12.070   0.4391 -0.5346000 0.6260000 
1 1 1   19    1   24 o   5.7060   0.5939   6.2560   0.7519   5.1560   0.9195 1.099000 1.188000 
1 1 1   19    1   25 f   4.3310   0.7255   3.9780   1.0690   4.6850   0.9815 -0.7065000 1.451000 
1 1 1   19    1   26 o   3.1970   0.7789   2.0660   0.9764   4.3270   1.2140 -2.261000 1.558000 
1 1 1   19    1   27 o   4.5360   0.7435   3.9270   1.1350   5.1440   0.9605 -1.217000 1.487000 
1 1 1   19    1   28 o   2.3230   0.7314   2.3150   1.0340   2.3310   1.0350 -0.1629000E-01 1.463000 
1 1 1   19    1   29 o   2.2380   0.7049   2.5970   1.0840   1.8800   0.9014 0.7178000 1.410000 
1 1 1   19    1   30 o   2.2540   0.7859   2.5250   1.2170   1.9830   0.9948 0.5420000 1.572000 
1 1 1   19    1   31 o   2.2280   0.7191   1.9150   0.9212   2.5410   1.1040 -0.6262000 1.438000 
1 1 1   19    3    0 o   21.360   0.1610   21.000   0.1979   21.720   0.2541 -0.7220000 0.3221000 
1 1 1   19    3    1 o   24.000   0.1961   24.210   0.2777   23.790   0.2768 0.4246000 0.3921000 
1 1 1   19    3    2 o   11.250   0.1374   10.980   0.1940   11.520   0.1946 -0.5415000 0.2748000 
1 1 1   19    3    3 o   13.730   0.1406   13.990   0.1975   13.470   0.2001 0.5191000 0.2812000 
1 1 1   19    3    4 o   28.510   0.1848   28.600   0.2614   28.420   0.2611 0.1765000 0.3695000 
1 1 1   19    3    5 o   16.850   0.1651   17.030   0.2128   16.660   0.2526 0.3677000 0.3303000 
1 1 1   19    3    6 f   18.650   0.1983   18.440   0.2796   18.870   0.2814 -0.4250000 0.3967000 
1 1 1   19    3    7 o   20.480   0.1664   20.520   0.2369   20.430   0.2337 0.8963000E-01 0.3327000 
1 1 1   19    3    8 o   7.4260   0.2586   7.3020   0.3679   7.5510   0.3635 -0.2487000 0.5172000 
1 1 1   19    3    9 o   5.5930   0.3665   5.6850   0.5145   5.5010   0.5222 0.1840000 0.7331000 
1 1 1   19    3   10 o   23.890   0.1888   24.010   0.2675   23.760   0.2664 0.2467000 0.3776000 
1 1 1   19    3   11 o   10.880   0.2431   10.570   0.3571   11.190   0.3299 -0.6202000 0.4862000 
1 1 1   19    3   12 o   27.050   0.2344   26.680   0.2937   27.420   0.3655 -0.7455000 0.4689000 
1 1 1   19    3   13 o   29.820   0.2182   30.090   0.3077   29.540   0.3095 0.5500000 0.4364000 
1 1 1   19    3   14 f   31.020   0.2804   31.320   0.3963   30.710   0.3968 0.6070000 0.5609000 
1 1 1   19    3   15 o   16.050   0.2263   16.110   0.2963   16.000   0.3421 0.1131000 0.4526000 
1 1 1   19    3   16 o   11.980   0.2746   12.120   0.3591   11.840   0.4155 0.2843000 0.5491000 
1 1 1   19    3   17 o   10.840   0.2960   11.160   0.3760   10.510   0.4573 0.6568000 0.5920000 
1 1 1   19    3   18 o   11.730   0.3392   12.110   0.4203   11.360   0.5325 0.7504000 0.6784000 
1 1 1   19    3   19 f   9.9000   0.3967   9.9530   0.5235   9.8470   0.5963 0.1066000 0.7935000 
1 1 1   19    3   20 o   6.1910   0.5134   6.7220   0.6065   5.6600   0.8284 1.062000 1.027000 
1 1 1   19    3   21 o   7.2600   0.4281   7.4530   0.5449   7.0670   0.6604 0.3859000 0.8562000 
1 1 1   19    3   22 o   1.9300   0.6350   1.8740   0.8687   1.9870   0.9264 -0.1133000 1.270000 
1 1 1   19    3   23 o   3.5380   0.7110   4.3940   0.9292   2.6820   1.0770 1.711000 1.422000 
1 1 1   19    3   24 o   4.8720   0.6315   4.5300   0.8892   5.2130   0.8971 -0.6834000 1.263000 
1 1 1   19    3   25 o   2.8410   0.6699   3.7940   0.9993   1.8890   0.8925 1.905000 1.340000 
1 1 1   19    3   26 o   3.5140   0.8460   2.6940   1.1380   4.3340   1.2520 -1.639000 1.692000 
1 1 1   19    3   27 o   2.2140   0.6971   2.1310   0.9486   2.2980   1.0220 -0.1671000 1.394000 
1 1 1   19    3   28 o   2.7540   0.8012   2.1120   0.9521   3.3950   1.2890 -1.283000 1.602000 
1 1 1   19    3   29 o   2.4050   0.7327   2.0190   0.9282   2.7910   1.1340 -0.7723000 1.465000 
1 1 1   19    3   30 o   2.2080   0.7748   2.4280   1.1850   1.9880   0.9983 0.4403000 1.550000 
1 1 1   19    5    0 o   16.650   0.1299   16.880   0.1943   16.420   0.1724 0.4577000 0.2597000 
1 1 1   19    5    1 o   14.660   0.1392   14.590   0.1955   14.730   0.1983 -0.1331000 0.2785000 
1 1 1   19    5    2 o   8.6480   0.1770   8.4850   0.2524   8.8110   0.2483 -0.3259000 0.3541000 
1 1 1   19    5    3 o   26.750   0.1971   26.630   0.2518   26.880   0.3032 -0.2477000 0.3941000 
1 1 1   19    5    4 o   16.660   0.1561   16.320   0.2198   17.000   0.2218 -0.6814000 0.3123000 
1 1 1   19    5    5 o   25.670   0.2224   25.500   0.3139   25.840   0.3152 -0.3362000 0.4449000 
1 1 1   19    5    6 o   16.840   0.1655   16.770   0.2353   16.920   0.2328 -0.1503000 0.3310000 
1 1 1   19    5    7 o   15.020   0.1736   14.860   0.2473   15.170   0.2437 -0.3099000 0.3471000 
1 1 1   19    5    8 o   13.490   0.1876   13.940   0.2620   13.040   0.2685 0.8943000 0.3751000 
1 1 1   19    5    9 o   25.410   0.1926   25.580   0.2730   25.240   0.2717 0.3393000 0.3852000 
1 1 1   19    5   10 o   22.670   0.1917   22.400   0.2725   22.940   0.2696 -0.5390000 0.3833000 
1 1 1   19    5   11 o   15.310   0.2111   15.560   0.2973   15.060   0.2998 0.4960000 0.4222000 
1 1 1   19    5   12 o   20.650   0.2031   20.760   0.2885   20.540   0.2858 0.2120000 0.4061000 
1 1 1   19    5   13 o   6.9370   0.4605   6.7470   0.6928   7.1270   0.6070 -0.3806000 0.9210000 
1 1 1   19    5   14 o   15.680   0.3030   15.690   0.4374   15.670   0.4196 0.1795000E-01 0.6061000 
1 1 1   19    5   15 o   8.2860   0.3942   8.3020   0.5608   8.2710   0.5541 0.3089000E-01 0.7884000 
1 1 1   19    5   16 o   8.2860   0.3994   8.3610   0.5590   8.2120   0.5706 0.1484000 0.7988000 
1 1 1   19    5   17 o   11.310   0.3088   11.430   0.4326   11.200   0.4409 0.2270000 0.6176000 
1 1 1   19    5   18 o  10.0000   0.5057   9.1150   0.6944   10.890   0.7352 -1.776000 1.011000 
1 1 1   19    5   19 o   7.0860   0.4469   7.5590   0.5504   6.6130   0.7042 0.9457000 0.8937000 
1 1 1   19    5   20 o   10.240   0.3166   10.340   0.4139   10.150   0.4793 0.1881000 0.6333000 
1 1 1   19    5   21 o   10.460   0.3109   10.280   0.4180   10.640   0.4604 -0.3527000 0.6219000 
1 1 1   19    5   22 o   3.1790   0.7594   2.8130   1.0410   3.5440   1.1060 -0.7308000 1.519000 
1 1 1   19    5   23 o   4.2870   0.6952   4.4720   0.8954   4.1030   1.0640 0.3684000 1.390000 
1 1 1   19    5   24 o   2.4620   0.7117   2.7070   1.0290   2.2170   0.9836 0.4898000 1.423000 
1 1 1   19    5   25 o   6.7720   0.4839   6.7850   0.6784   6.7590   0.6901 0.2597000E-01 0.9677000 
1 1 1   19    5   26 o   5.4270   0.7768   4.2740   1.2410   6.5810   0.9348 -2.307000 1.554000 
1 1 1   19    5   27 o   4.8760   0.6921   4.9070   0.9191   4.8440   1.0350 0.6361000E-01 1.384000 
1 1 1   19    5   28 o   5.1050   0.6818   4.7430   0.9758   5.4670   0.9524 -0.7241000 1.364000 
1 1 1   19    5   29 o   2.7700   0.7909   2.6280   1.0770   2.9120   1.1590 -0.2837000 1.582000 
1 1 1   19    5   30 o   2.2940   0.7784   2.4500   1.1420   2.1370   1.0580 0.3134000 1.557000 
1 1 1   19    7    0 o   30.320   0.1955   30.480   0.2775   30.170   0.2754 0.3098000 0.3910000 
1 1 1   19    7    1 o   19.140   0.1493   19.450   0.2232   18.830   0.1982 0.6204000 0.2985000 
1 1 1   19    7    2 o   13.560   0.1601   13.680   0.2250   13.440   0.2279 0.2398000 0.3203000 
1 1 1   19    7    3 o   20.910   0.2080   21.300   0.2983   20.530   0.2900 0.7685000 0.4160000 
1 1 1   19    7    4 o   24.000   0.2207   24.020   0.3130   23.990   0.3114 0.2839000E-01 0.4415000 
1 1 1   19    7    5 o   23.380   0.2050   23.330   0.2513   23.430   0.3239 -0.1080000 0.4100000 
1 1 1   19    7    6 o   30.730   0.2077   30.670   0.2932   30.780   0.2943 -0.1165000 0.4154000 
1 1 1   19    7    7 o   30.600   0.2094   30.630   0.2964   30.570   0.2959 0.5835000E-01 0.4188000 
1 1 1   19    7    8 o   39.800   0.2528   39.720   0.3573   39.870   0.3578 -0.1436000 0.5056000 
1 1 1   19    7    9 o   43.150   0.2714   43.320   0.3864   42.990   0.3813 0.3279000 0.5429000 
1 1 1   19    7   10 o   25.780   0.2056   25.800   0.2952   25.760   0.2862 0.4361000E-01 0.4112000 
1 1 1   19    7   11 o   31.360   0.2693   31.270   0.3801   31.440   0.3816 -0.1748000 0.5386000 
1 1 1   19    7   12 o   12.760   0.2722   12.870   0.4114   12.660   0.3565 0.2034000 0.5444000 
1 1 1   19    7   13 o   7.1300   0.5708   7.6170   0.7587   6.6430   0.8530 0.9735000 1.142000 
1 1 1   19    7   14 o   15.170   0.2558   15.490   0.3562   14.850   0.3672 0.6484000 0.5116000 
1 1 1   19    7   15 o   8.2380   0.4088   8.3410   0.5656   8.1350   0.5903 0.2053000 0.8176000 
1 1 1   19    7   16 f   17.190   0.2414   17.280   0.3425   17.100   0.3402 0.1771000 0.4827000 
1 1 1   19    7   17 f   2.4150   0.7305   2.8910   1.1260   1.9400   0.9305 0.9513000 1.461000 
1 1 1   19    7   18 o   2.9770   0.8461   3.3880   1.2780   2.5660   1.1090 0.8226000 1.692000 
1 1 1   19    7   19 o   11.720   0.3050   11.570   0.4428   11.860   0.4196 -0.2897000 0.6100000 
1 1 1   19    7   20 o   15.440   0.2598   15.600   0.3688   15.270   0.3661 0.3274000 0.5196000 
1 1 1   19    7   21 o   4.8510   0.6949   4.6140   1.0270   5.0880   0.9361 -0.4739000 1.390000 
1 1 1   19    7   22 o   3.3900   0.7359   3.9820   0.9927   2.7980   1.0870 1.184000 1.472000 
1 1 1   19    7   23 o   3.8950   0.7289   3.1000   1.0690   4.6910   0.9911 -1.592000 1.458000 
1 1 1   19    7   24 o   4.6870   0.6524   4.2720   0.9350   5.1020   0.9100 -0.8306000 1.305000 
1 1 1   19    7   25 o   3.4600   0.8803   3.7770   1.2330   3.1430   1.2570 0.6340000 1.761000 
1 1 1   19    7   26 o   5.6750   0.5792   5.7880   0.7393   5.5630   0.8919 0.2251000 1.158000 
1 1 1   19    7   27 o   2.5140   0.7420   2.6340   1.0560   2.3940   1.0430 0.2395000 1.484000 
1 1 1   19    7   28 o   2.9720   0.7914   2.5580   1.0550   3.3860   1.1800 -0.8278000 1.583000 
1 1 1   19    7   29 o   2.4030   0.8027   2.4440   1.1280   2.3620   1.1420 0.8142000E-01 1.605000 
1 1 1   19    7   30 o   1.8990   0.6362   1.9800   0.9212   1.8180   0.8776 0.1626000 1.272000 
1 1 1   19    9    0 o   15.300   0.1969   15.790   0.3016   14.820   0.2534 0.9730000 0.3939000 
1 1 1   19    9    1 o   8.0500   0.2879   8.0520   0.4392   8.0480   0.3724 0.3997000E-02 0.5759000 
1 1 1   19    9    2 o   29.680   0.1907   29.740   0.2872   29.620   0.2511 0.1206000 0.3815000 
1 1 1   19    9    3 o   38.510   0.2435   38.640   0.3453   38.370   0.3434 0.2708000 0.4870000 
1 1 1   19    9    4 o   35.150   0.2290   35.240   0.3247   35.060   0.3230 0.1782000 0.4580000 
1 1 1   19    9    5 o   13.240   0.1977   13.130   0.2825   13.360   0.2766 -0.2360000 0.3954000 
1 1 1   19    9    6 o   43.640   0.2721   43.500   0.3835   43.780   0.3860 -0.2762000 0.5441000 
1 1 1   19    9    7 o   41.570   0.2645   41.830   0.3749   41.320   0.3731 0.5170000 0.5289000 
1 1 1   19    9    8 o   14.000   0.2206   14.070   0.3115   13.930   0.3123 0.1342000 0.4412000 
1 1 1   19    9    9 o   37.120   0.2470   36.800   0.3479   37.440   0.3507 -0.6450000 0.4940000 
1 1 1   19    9   10 o   45.160   0.3165   44.970   0.4866   45.350   0.4047 -0.3805000 0.6329000 
1 1 1   19    9   11 o   25.550   0.2345   25.660   0.3585   25.440   0.3023 0.2234000 0.4690000 
1 1 1   19    9   12 o   12.140   0.3648   12.650   0.5114   11.630   0.5205 1.019000 0.7297000 
1 1 1   19    9   13 o   19.360   0.2326   19.230   0.3330   19.490   0.3248 -0.2555000 0.4651000 
1 1 1   19    9   14 o   23.810   0.2294   24.150   0.3316   23.480   0.3172 0.6649000 0.4589000 
1 1 1   19    9   15 o   8.0480   0.4284   8.2430   0.6225   7.8530   0.5887 0.3902000 0.8568000 
1 1 1   19    9   16 o   5.8770   0.6209   5.5460   0.8834   6.2080   0.8727 -0.6619000 1.242000 
1 1 1   19    9   17 o   7.4140   0.5948   6.4680   0.9706   8.3600   0.6878 -1.892000 1.190000 
1 1 1   19    9   18 o   11.540   0.3101   11.760   0.4390   11.320   0.4380 0.4472000 0.6201000 
1 1 1   19    9   19 o   15.420   0.2630   15.300   0.3841   15.550   0.3593 -0.2502000 0.5259000 
1 1 1   19    9   20 o   17.460   0.2523   17.230   0.3649   17.680   0.3485 -0.4461000 0.5046000 
1 1 1   19    9   21 o   3.9480   0.7819   3.7180   1.1470   4.1780   1.0630 -0.4606000 1.564000 
1 1 1   19    9   22 o   3.9580   0.7132   5.2240   0.9256   2.6910   1.0850 2.533000 1.426000 
1 1 1   19    9   23 o   6.5090   0.5291   6.1030   0.8087   6.9150   0.6826 -0.8115000 1.058000 
1 1 1   19    9   24 o   2.7780   0.7861   3.1780   1.1860   2.3790   1.0320 0.7991000 1.572000 
1 1 1   19    9   25 o   3.6740   0.8664   3.8170   1.1460   3.5320   1.2990 0.2854000 1.733000 
1 1 1   19    9   26 f   2.5920   0.7546   2.3020   0.9909   2.8810   1.1380 -0.5789000 1.509000 
1 1 1   19    9   27 o   2.6160   0.7609   2.5410   1.0480   2.6910   1.1030 -0.1497000 1.522000 
1 1 1   19    9   28 o   2.5050   0.7718   2.4180   1.0330   2.5910   1.1470 -0.1730000 1.544000 
1 1 1   19    9   29 o   2.0520   0.6930   1.9370   0.9339   2.1670   1.0240 -0.2307000 1.386000 
1 1 1   19   11    0 o   30.750   0.2023   30.690   0.2618   30.810   0.3084 -0.1197000 0.4046000 
1 1 1   19   11    1 o   40.770   0.2415   40.540   0.3626   41.000   0.3190 -0.4591000 0.4830000 
1 1 1   19   11    2 o   14.890   0.1865   15.390   0.2774   14.400   0.2492 0.9982000 0.3729000 
1 1 1   19   11    3 o   21.110   0.1894   21.100   0.2687   21.110   0.2670 -0.1509000E-01 0.3788000 
1 1 1   19   11    4 o   17.970   0.1954   18.330   0.2738   17.620   0.2788 0.7040000 0.3908000 
1 1 1   19   11    5 o   17.020   0.1996   16.930   0.2822   17.120   0.2823 -0.1914000 0.3992000 
1 1 1   19   11    6 o   19.780   0.2010   19.580   0.2842   19.980   0.2843 -0.3962000 0.4020000 
1 1 1   19   11    7 o   49.970   0.3091   50.100   0.4382   49.840   0.4359 0.2556000 0.6181000 
1 1 1   19   11    8 o   34.440   0.2636   34.350   0.4033   34.520   0.3396 -0.1733000 0.5272000 
1 1 1   19   11    9 o   41.530   0.3261   41.250   0.4583   41.810   0.4641 -0.5638000 0.6523000 
1 1 1   19   11   10 o   35.300   0.3091   35.610   0.4400   35.000   0.4343 0.6107000 0.6182000 
1 1 1   19   11   11 o   28.440   0.2876   27.850   0.4065   29.030   0.4070 -1.179000 0.5753000 
1 1 1   19   11   12 o   30.690   0.2374   30.670   0.3381   30.710   0.3334 -0.3403000E-01 0.4749000 
1 1 1   19   11   13 o   13.200   0.2815   13.630   0.4000   12.760   0.3961 0.8633000 0.5630000 
1 1 1   19   11   14 o   18.740   0.2590   18.920   0.3394   18.550   0.3913 0.3661000 0.5180000 
1 1 1   19   11   15 f   8.5910   0.4311   8.2280   0.5936   8.9540   0.6254 -0.7258000 0.8623000 
1 1 1   19   11   16 o   10.630   0.4325   10.380   0.6723   10.880   0.5443 -0.5048000 0.8650000 
1 1 1   19   11   17 o   6.0330   0.5768   6.4640   0.7728   5.6030   0.8566 0.8610000 1.154000 
1 1 1   19   11   18 o   19.870   0.2413   20.060   0.3497   19.690   0.3327 0.3681000 0.4827000 
1 1 1   19   11   19 o   8.9120   0.3932   9.1980   0.5570   8.6270   0.5551 0.5712000 0.7863000 
1 1 1   19   11   20 o   8.1850   0.4271   8.8150   0.5858   7.5540   0.6218 1.261000 0.8543000 
1 1 1   19   11   21 o   2.4990   0.7407   2.2470   1.0080   2.7500   1.0850 -0.5033000 1.481000 
1 1 1   19   11   22 o   6.9140   0.4926   6.5440   0.7454   7.2840   0.6443 -0.7402000 0.9853000 
1 1 1   19   11   23 o   11.410   0.3572   11.860   0.5478   10.970   0.4586 0.8840000 0.7144000 
1 1 1   19   11   24 o   3.9040   0.9141   3.8490   1.2810   3.9600   1.3040 -0.1105000 1.828000 
1 1 1   19   11   25 o   3.6170   0.8279   3.6160   1.1770   3.6190   1.1640 -0.2897000E-02 1.656000 
1 1 1   19   11   26 o   6.0320   0.6223   6.7420   0.7876   5.3220   0.9638 1.420000 1.245000 
1 1 1   19   11   27 o   2.2110   0.7084   2.0700   0.9654   2.3520   1.0370 -0.2824000 1.417000 
1 1 1   19   11   28 o   1.8410   0.6499   1.9340   0.9497   1.7490   0.8874 0.1852000 1.300000 
1 1 1   19   13    0 o   26.650   0.1815   26.370   0.2546   26.930   0.2589 -0.5539000 0.3631000 
1 1 1   19   13    1 o   33.390   0.2163   33.260   0.3257   33.510   0.2846 -0.2536000 0.4325000 
1 1 1   19   13    2 o   10.540   0.2540   10.770   0.3763   10.300   0.3412 0.4749000 0.5080000 
1 1 1   19   13    3 o   17.340   0.1985   17.490   0.2949   17.180   0.2657 0.3075000 0.3969000 
1 1 1   19   13    4 o   17.830   0.2276   17.770   0.3447   17.890   0.2972 -0.1183000 0.4551000 
1 1 1   19   13    5 o   16.020   0.2403   15.820   0.3647   16.210   0.3129 -0.3938000 0.4805000 
1 1 1   19   13    6 o   9.5320   0.3393   9.1670   0.5145   9.8970   0.4424 -0.7292000 0.6785000 
1 1 1   19   13    7 o   34.720   0.2441   34.970   0.3482   34.470   0.3423 0.4966000 0.4882000 
1 1 1   19   13    8 o   28.120   0.3999  ?   ?    28.120   0.3999      ?      ? 
1 1 1   19   13    9 o   7.1070   0.6097   7.3640   0.7882   6.8500   0.9303 0.5148000 1.219000 
1 1 1   19   13   10 o   17.620   0.2448   17.600   0.3457   17.640   0.3467 -0.4228000E-01 0.4897000 
1 1 1   19   13   11 o   16.890   0.2484   17.020   0.3547   16.770   0.3479 0.2440000 0.4968000 
1 1 1   19   13   12 o   13.430   0.2889   13.790   0.4019   13.080   0.4151 0.7144000 0.5778000 
1 1 1   19   13   13 f   16.360   0.2773   16.500   0.3663   16.210   0.4164 0.2871000 0.5546000 
1 1 1   19   13   14 o   7.0910   0.5990   7.0240   0.9115   7.1580   0.7772 -0.1339000 1.198000 
1 1 1   19   13   15 o   13.360   0.3269   13.170   0.4363   13.540   0.4870 -0.3708000 0.6539000 
1 1 1   19   13   16 f   11.080   0.3240   11.200   0.4682   10.960   0.4479 0.2382000 0.6479000 
1 1 1   19   13   17 o   5.1610   0.6544   4.9760   0.9950   5.3460   0.8504 -0.3692000 1.309000 
1 1 1   19   13   18 o   8.6610   0.3976   8.6990   0.5746   8.6240   0.5497 0.7513000E-01 0.7952000 
1 1 1   19   13   19 o   3.0010   0.7218   2.0890   0.9585   3.9120   1.0790 -1.822000 1.444000 
1 1 1   19   13   20 o   3.0160   0.8008   3.1280   1.1580   2.9040   1.1060 0.2239000 1.602000 
1 1 1   19   13   21 o   4.8620   0.6921   4.8400   1.0050   4.8830   0.9519 -0.4331000E-01 1.384000 
1 1 1   19   13   22 o   2.6150   0.7688   2.9160   1.1580   2.3140   1.0120 0.6021000 1.538000 
1 1 1   19   13   23 o   3.1010   0.8803   3.2580   1.2570   2.9440   1.2320 0.3135000 1.761000 
1 1 1   19   13   24 o   2.9090   0.7859   3.4570   1.1830   2.3620   1.0360 1.095000 1.572000 
1 1 1   19   13   25 o   2.2260   0.7066   1.8990   0.9053   2.5520   1.0850 -0.6531000 1.413000 
1 1 1   19   13   26 o   2.0640   0.6794   2.1840   0.9977   1.9450   0.9225 0.2394000 1.359000 
1 1 1   19   13   27 o   2.6250   0.8384   3.1220   1.3120   2.1280   1.0440 0.9940000 1.677000 
1 1 1   19   13   28 o   3.0270   1.3990   3.0270   1.3990  ?   ?       ?      ? 
1 1 1   19   15    0 o   26.000   0.2154   25.870   0.3028   26.130   0.3065 -0.2547000 0.4308000 
1 1 1   19   15    1 f   25.760   0.1916   25.590   0.2709   25.930   0.2710 -0.3400000 0.3832000 
1 1 1   19   15    2 o   36.680   0.2375   36.620   0.3582   36.750   0.3119 -0.1337000 0.4750000 
1 1 1   19   15    3 o   4.3070   0.6591   4.8410   0.8809   3.7730   0.9808 1.068000 1.318000 
1 1 1   19   15    4 o   9.1620   0.3301   8.9470   0.5070   9.3770   0.4230 -0.4302000 0.6603000 
1 1 1   19   15    5 o   7.5580   0.4923   8.0100   0.7146   7.1060   0.6774 0.9033000 0.9846000 
1 1 1   19   15    6 o   17.360   0.2775   17.930   0.4223   16.790   0.3599 1.140000 0.5549000 
1 1 1   19   15    7 o   30.800   0.2404   31.010   0.3427   30.580   0.3372 0.4277000 0.4807000 
1 1 1   19   15    8 o   15.370   0.2617   15.400   0.3683   15.340   0.3718 0.6047000E-01 0.5233000 
1 1 1   19   15    9 o   19.320   0.2385   19.360   0.3429   19.280   0.3317 0.7983000E-01 0.4771000 
1 1 1   19   15   10 o   13.550   0.2980   13.410   0.4046   13.690   0.4375 -0.2826000 0.5960000 
1 1 1   19   15   11 o   7.5900   0.4720   7.2400   0.6709   7.9400   0.6641 -0.7004000 0.9440000 
1 1 1   19   15   12 o   11.140   0.4254   10.330   0.6540   11.950   0.5441 -1.623000 0.8507000 
1 1 1   19   15   13 o   9.7780   0.4577   9.8320   0.6815   9.7240   0.6110 0.1080000 0.9153000 
1 1 1   19   15   14 o   20.820   0.2403   21.340   0.3447   20.310   0.3347 1.027000 0.4805000 
1 1 1   19   15   15 o   10.980   0.3258   11.280   0.4696   10.680   0.4516 0.6008000 0.6515000 
1 1 1   19   15   16 o   2.7720   0.7517   2.2720   1.0140   3.2710   1.1090 -0.9984000 1.503000 
1 1 1   19   15   17 o   6.2670   0.5362   5.9760   0.8079   6.5580   0.7053 -0.5827000 1.072000 
1 1 1   19   15   18 o   4.6340   0.7125   4.1410   1.1080   5.1270   0.8960 -0.9859000 1.425000 
1 1 1   19   15   19 o   1.9470   0.6451   1.8110   0.8703   2.0830   0.9525 -0.2725000 1.290000 
1 1 1   19   15   20 o   13.270   0.2992   13.020   0.4420   13.520   0.4033 -0.4920000 0.5984000 
1 1 1   19   15   21 o   9.9860   0.3906   10.550   0.5776   9.4180   0.5260 1.136000 0.7812000 
1 1 1   19   15   22 o   3.4720   0.8554   2.5010   1.1250   4.4440   1.2890 -1.943000 1.711000 
1 1 1   19   15   23 o   6.4800   0.5388   6.8700   0.7364   6.0910   0.7867 0.7793000 1.078000 
1 1 1   19   15   24 o   2.3670   0.7274   2.7430   1.1170   1.9920   0.9322 0.7506000 1.455000 
1 1 1   19   15   25 o   2.6310   0.7955   2.6890   1.1140   2.5720   1.1360 0.1176000 1.591000 
1 1 1   19   15   26 o   2.0190   0.7039   1.9050   0.9441   2.1340   1.0440 -0.2292000 1.408000 
1 1 1   19   17    0 o   5.2080   0.6590   5.5210   0.8499   4.8950   1.0070 0.6258000 1.318000 
1 1 1   19   17    1 o   21.890   0.2332   21.970   0.3286   21.810   0.3308 0.1565000 0.4663000 
1 1 1   19   17    2 o   15.470   0.2934   15.620   0.4476   15.320   0.3794 0.2999000 0.5868000 
1 1 1   19   17    3 o   14.390   0.2473   14.490   0.3694   14.300   0.3289 0.1884000 0.4946000 
1 1 1   19   17    4 o   7.4200   0.4119   7.5210   0.6093   7.3190   0.5544 0.2018000 0.8238000 
1 1 1   19   17    5 o   18.390   0.2236   18.340   0.3388   18.450   0.2921 -0.1112000 0.4473000 
1 1 1   19   17    6 o   12.740   0.3115   13.220   0.4049   12.250   0.4735 0.9699000 0.6230000 
1 1 1   19   17    7 o   15.400   0.2565   15.880   0.3643   14.930   0.3613 0.9476000 0.5131000 
1 1 1   19   17    8 o   10.320   0.3248   10.650   0.4769   9.9830   0.4411 0.6684000 0.6496000 
1 1 1   19   17    9 o   15.090   0.2687   15.100   0.3799   15.080   0.3800 0.1466000E-01 0.5373000 
1 1 1   19   17   10 o   5.8330   0.7537   5.1820   1.2260   6.4850   0.8766 -1.303000 1.507000 
1 1 1   19   17   11 o   5.3680   0.8095   4.9230   1.2550   5.8130   1.0230 -0.8896000 1.619000 
1 1 1   19   17   12 o   2.9550   0.7907   3.0710   1.1400   2.8400   1.0960 0.2301000 1.581000 
1 1 1   19   17   13 o   3.5480   0.7887   4.1640   1.1100   2.9330   1.1210 1.231000 1.577000 
1 1 1   19   17   14 o   5.1120   0.6691   5.1950   0.9665   5.0290   0.9254 0.1658000 1.338000 
1 1 1   19   17   15 o   3.1360   0.7275   2.1600   0.9849   4.1130   1.0710 -1.953000 1.455000 
1 1 1   19   17   16 o   5.0310   0.6958   3.9500   1.1490   6.1110   0.7847 -2.162000 1.392000 
1 1 1   19   17   17 o   5.4260   0.6419   6.4260   0.7799   4.4260   1.0200 2.000000 1.284000 
1 1 1   19   17   18 o   5.3790   0.6311   5.6910   0.8657   5.0680   0.9185 0.6230000 1.262000 
1 1 1   19   17   19 o   5.5290   0.6855   5.0970   1.1290   5.9600   0.7783 -0.8628000 1.371000 
1 1 1   19   17   20 o   3.5610   0.8728   4.2770   1.2590   2.8450   1.2090 1.432000 1.746000 
1 1 1   19   17   21 o   4.2180   0.7723   3.8800   1.1620   4.5560   1.0170 -0.6759000 1.545000 
1 1 1   19   17   22 o   3.0130   0.7891   3.6060   1.1880   2.4210   1.0390 1.184000 1.578000 
1 1 1   19   17   23 o   2.7000   0.7852   2.7210   1.1220   2.6780   1.0990 0.4378000E-01 1.570000 
1 1 1   19   17   24 o   2.8980   0.8250   2.9930   1.1490   2.8040   1.1840 0.1886000 1.650000 
1 1 1   19   17   25 o   2.6830   0.8307   2.9920   1.2630   2.3750   1.0800 0.6172000 1.661000 
1 1 1   19   19    0 o   8.4890   0.4001   8.6450   0.5564   8.3340   0.5750 0.3111000 0.8001000 
1 1 1   19   19    1 o   8.7900   0.3925   9.0170   0.5557   8.5630   0.5543 0.4538000 0.7849000 
1 1 1   19   19    2 o   9.0240   0.3741   8.9210   0.5821   9.1280   0.4700 -0.2070000 0.7481000 
1 1 1   19   19    3 o   12.080   0.2895   12.560   0.4337   11.610   0.3837 0.9534000 0.5791000 
1 1 1   19   19    4 o   13.000   0.2704   13.080   0.4059   12.930   0.3573 0.1502000 0.5407000 
1 1 1   19   19    5 o   5.8960   0.5471   6.8190   0.6958   4.9730   0.8445 1.846000 1.094000 
1 1 1   19   19    6 o   18.150   0.3567  ?   ?    18.150   0.3567      ?      ? 
1 1 1   19   19    7 o   5.8120   0.6855   6.1060   1.0550   5.5180   0.8761 0.5879000 1.371000 
1 1 1   19   19    8 o   4.6150   0.8358   4.8720   1.2600   4.3570   1.0990 0.5148000 1.672000 
1 1 1   19   19    9 o   7.7180   0.4159   8.0840   0.6120   7.3530   0.5633 0.7315000 0.8318000 
1 1 1   19   19   10 o   9.4310   0.3547   9.8990   0.5131   8.9620   0.4898 0.9364000 0.7093000 
1 1 1   19   19   11 f   4.3850   0.7731   4.0400   1.1420   4.7310   1.0430 -0.6909000 1.546000 
1 1 1   19   19   12 o   3.1420   0.7969   3.6500   1.1660   2.6340   1.0870 1.017000 1.594000 
1 1 1   19   19   13 o   11.280   0.3380   11.900   0.4619   10.670   0.4936 1.232000 0.6760000 
1 1 1   19   19   14 o   6.2690   0.5546   6.5050   0.7662   6.0330   0.8021 0.4717000 1.109000 
1 1 1   19   19   15 o   3.3370   0.6904   4.7620   1.0470   1.9120   0.9003 2.851000 1.381000 
1 1 1   19   19   16 o   5.6570   0.6177   5.6170   0.9151   5.6980   0.8298 -0.8087000E-01 1.235000 
1 1 1   19   19   17 o   4.8420   0.7568   4.3000   1.2250   5.3840   0.8889 -1.083000 1.514000 
1 1 1   19   19   18 o   2.8900   0.8527   2.7700   1.1840   3.0090   1.2280 -0.2393000 1.705000 
1 1 1   19   19   19 o   3.1160   0.8813   2.9090   1.1920   3.3240   1.2980 -0.4150000 1.763000 
1 1 1   19   19   20 f   3.0400   0.8117   3.4430   1.2060   2.6360   1.0870 0.8071000 1.623000 
1 1 1   19   19   21 o   4.1940   0.8067   3.7730   1.1980   4.6140   1.0810 -0.8412000 1.613000 
1 1 1   19   19   22 o   3.4990   0.8246   4.2630   1.1660   2.7350   1.1660 1.529000 1.649000 
1 1 1   19   19   23 o   3.1910   0.9487   2.9400   1.2710   3.4420   1.4080 -0.5023000 1.897000 
1 1 1   19   19   24 o   2.1560   1.0750   2.1560   1.0750  ?   ?       ?      ? 
1 1 1   19   21    0 o   7.6380   0.5379   7.6010   0.8577   7.6760   0.6493 -0.7497000E-01 1.076000 
1 1 1   19   21    1 o   12.870   0.3469   12.740   0.5493   13.000   0.4237 -0.2547000 0.6938000 
1 1 1   19   21    2 o   5.7260   0.8797   6.4900   1.4490   4.9630   0.9979 1.527000 1.759000 
1 1 1   19   21    3 o   2.8090   0.8298   3.3840   1.3240   2.2350   1.0010 1.150000 1.660000 
1 1 1   19   21    4 o   3.0710   0.7513   2.6460   1.0840   3.4960   1.0410 -0.8502000 1.503000 
1 1 1   19   21    5 o   2.8300   0.6999   2.0780   0.9495   3.5810   1.0280 -1.503000 1.400000 
1 1 1   19   21    6 o   5.4070   0.5907   5.2660   0.9150   5.5480   0.7473 -0.2812000 1.181000 
1 1 1   19   21    7 o   4.2570   0.7188   4.7760   1.0110   3.7370   1.0220 1.039000 1.438000 
1 1 1   19   21    8 o   11.270   0.3079   11.130   0.4710   11.420   0.3968 -0.2906000 0.6158000 
1 1 1   19   21    9 o   4.7030   0.6656   5.8130   0.8365   3.5930   1.0360 2.221000 1.331000 
1 1 1   19   21   10 o   6.3860   0.5157   5.9050   0.8373   6.8670   0.6021 -0.9616000 1.031000 
1 1 1   19   21   11 o   6.8700   0.4773   6.5610   0.7531   7.1780   0.5865 -0.6166000 0.9545000 
1 1 1   19   21   12 o   2.0920   0.6765   1.8800   0.8967   2.3040   1.0130 -0.4242000 1.353000 
1 1 1   19   21   13 f   5.1930   0.6877   6.1910   0.8113   4.1940   1.1110 1.997000 1.375000 
1 1 1   19   21   14 o   2.5490   0.7670   2.2710   1.0490   2.8260   1.1190 -0.5555000 1.534000 
1 1 1   19   21   15 o   9.5410   0.4325   10.270   0.6288   8.8130   0.5940 1.455000 0.8650000 
1 1 1   19   21   16 o   4.0970   0.9616   4.2370   1.3320   3.9580   1.3880 0.2785000 1.923000 
1 1 1   19   21   17 o   7.2350   0.6332   7.7080   0.8068   6.7630   0.9761 0.9452000 1.266000 
1 1 1   19   21   18 o   5.0840   0.7245   4.3290   1.1540   5.8380   0.8762 -1.509000 1.449000 
1 1 1   19   21   19 o   8.5600   0.4436   7.9290   0.6775   9.1910   0.5729 -1.262000 0.8872000 
1 1 1   19   21   20 o   4.1260   0.8426   4.8850   1.1160   3.3660   1.2630 1.519000 1.685000 
1 1 1   19   21   21 o   2.9370   0.8420   2.8010   1.1440   3.0730   1.2360 -0.2728000 1.684000 
1 1 1   19   21   22 o   1.9570   0.6866   2.0290   0.9968   1.8850   0.9444 0.1435000 1.373000 
1 1 1   19   23    0 o   6.5410   0.4549   7.1300   0.5868   5.9520   0.6952 1.178000 0.9098000 
1 1 1   19   23    1 o   12.230   0.2640   12.260   0.3784   12.190   0.3681 0.7749000E-01 0.5279000 
1 1 1   19   23    2 o   5.0220   0.6629   4.5670   1.0980   5.4780   0.7429 -0.9113000 1.326000 
1 1 1   19   23    3 o   2.2500   0.7652   2.7960   1.2970   1.7040   0.8121 1.092000 1.530000 
1 1 1   19   23    4 o   6.4800   0.7729   6.8290   1.3920   6.1310   0.6718 0.6984000 1.546000 
1 1 1   19   23    5 o   14.710   0.4233   14.060   0.7795   15.350   0.3300 -1.289000 0.8465000 
1 1 1   19   23    6 o   3.2900   0.7769   3.8640   1.1550   2.7160   1.0400 1.148000 1.554000 
1 1 1   19   23    7 o   2.1860   0.6873   2.4460   1.0520   1.9270   0.8851 0.5192000 1.375000 
1 1 1   19   23    8 o   3.0000   0.7550   3.6810   1.1530   2.3200   0.9752 1.361000 1.510000 
1 1 1   19   23    9 o   4.5620   0.7084   4.4850   1.0890   4.6380   0.9062 -0.1528000 1.417000 
1 1 1   19   23   10 o   8.0250   0.4755   7.6110   0.7594   8.4380   0.5724 -0.8265000 0.9509000 
1 1 1   19   23   11 o   4.9380   0.7598   4.5820   1.2440   5.2940   0.8731 -0.7122000 1.520000 
1 1 1   19   23   12 o   6.1220   0.5358   6.4110   0.8098   5.8330   0.7020 0.5786000 1.072000 
1 1 1   19   23   13 o   2.8200   0.8211   2.5400   1.1460   3.0990   1.1760 -0.5591000 1.642000 
1 1 1   19   23   14 o   2.2570   0.7374   2.2110   1.0420   2.3020   1.0440 -0.9060000E-01 1.475000 
1 1 1   19   23   15 o   3.4870   0.7720   2.4880   1.0850   4.4860   1.0990 -1.998000 1.544000 
1 1 1   19   23   16 o   2.2750   0.7294   2.4030   1.0710   2.1470   0.9903 0.2557000 1.459000 
1 1 1   19   23   17 o   6.1710   0.6409   6.8060   0.7909   5.5370   1.0090 1.269000 1.282000 
1 1 1   19   23   18 o   4.2630   0.8768   4.7600   1.1130   3.7650   1.3550 0.9949000 1.754000 
1 1 1   19   23   19 o   2.5360   0.7786   2.8000   1.1600   2.2720   1.0390 0.5275000 1.557000 
1 1 1   19   25    0 o   2.6860   0.7230   2.4300   0.9957   2.9420   1.0490 -0.5124000 1.446000 
1 1 1   19   25    1 o   5.9290   0.4962   5.9370   0.6984   5.9200   0.7052 0.1706000E-01 0.9925000 
1 1 1   19   25    2 o   5.1450   0.6503   5.5240   0.9583   4.7660   0.8794 0.7578000 1.301000 
1 1 1   19   25    3 o   12.690   0.3438   12.870   0.5395   12.520   0.4264 0.3503000 0.6877000 
1 1 1   19   25    4 o   4.1330   0.8004   5.1970   1.1510   3.0680   1.1120 2.129000 1.601000 
1 1 1   19   25    5 o   3.1280   0.8214   3.5880   1.2400   2.6680   1.0780 0.9202000 1.643000 
1 1 1   19   25    6 o   2.6150   1.0750  ?   ?    2.6150   1.0750      ?      ? 
1 1 1   19   25    7 f   4.4320   0.7988   3.1200   1.4130   5.7430   0.7453 -2.623000 1.598000 
1 1 1   19   25    8 o   3.0560   0.9159   3.5470   1.5200   2.5660   1.0220 0.9804000 1.832000 
1 1 1   19   25    9 o   2.0790   0.6728   2.3880   1.0530   1.7690   0.8383 0.6189000 1.346000 
1 1 1   19   25   10 o   3.2100   0.8527   3.7880   1.2950   2.6320   1.1100 1.156000 1.705000 
1 1 1   19   25   11 o   2.6270   0.7740   2.0870   0.9978   3.1670   1.1830 -1.080000 1.548000 
1 1 1   19   25   12 o   4.3700   0.7412   4.7570   1.0720   3.9840   1.0240 0.7729000 1.482000 
1 1 1   19   25   13 o   2.8660   0.7776   3.3910   1.1890   2.3410   1.0030 1.050000 1.555000 
1 1 1   19   25   14 o   3.6170   0.7506   4.9400   1.0970   2.2940   1.0250 2.645000 1.501000 
1 1 1   19   25   15 o   4.7300   0.7763   4.7190   1.1290   4.7410   1.0660 -0.2199000E-01 1.553000 
1 1 1   19   25   16 o   2.5710   0.7537   2.2860   1.0320   2.8560   1.0990 -0.5695000 1.507000 
1 1 1   19   25   17 o   2.3560   1.1180   2.3560   1.1180  ?   ?       ?      ? 
1 1 1   19   27    0 o   5.7340   0.5285   5.9530   0.7193   5.5150   0.7744 0.4388000 1.057000 
1 1 1   19   27    1 f   6.7450   0.4538   7.0950   0.6219   6.3950   0.6611 0.6998000 0.9077000 
1 1 1   19   27    2 o   1.8920   0.6355   2.0580   0.9659   1.7260   0.8262 0.3325000 1.271000 
1 1 1   19   27    3 o   2.7960   0.7664   3.4600   1.2060   2.1310   0.9459 1.329000 1.533000 
1 1 1   19   27    4 o   7.6220   0.5744   6.7590   0.9678   8.4850   0.6190 -1.726000 1.149000 
1 1 1   19   27    5 o   2.4740   0.7811   2.6120   1.1640   2.3360   1.0420 0.2751000 1.562000 
1 1 1   19   27    6 o   3.3820   0.8699   3.4220   1.2810   3.3410   1.1780 0.8098000E-01 1.740000 
1 1 1   19   27    7 o   1.7840   0.6053   1.7600   0.8572   1.8090   0.8548 -0.4941000E-01 1.211000 
1 1 1   19   27    8 o   2.1550   0.6890   2.3000   1.0310   2.0110   0.9145 0.2891000 1.378000 
1 1 1   19   27    9 o   3.0510   0.7471   2.1890   1.0500   3.9120   1.0630 -1.724000 1.494000 
1 1 1   19   27   10 o   3.1550   0.9449   3.3630   1.5020   2.9460   1.1470 0.4163000 1.890000 
1 1 1   19   27   11 o   2.3330   0.7763   2.3660   1.1650   2.3010   1.0260 0.6500000E-01 1.553000 
1 1 1   19   27   12 o   1.9850   0.6620   1.8390   0.9122   2.1320   0.9595 -0.2926000 1.324000 
1 1 1   19   27   13 o   1.8760   0.6333   1.8630   0.9000   1.8880   0.8913 -0.2502000E-01 1.267000 
1 1 1   19   29    0 o   2.8760   0.8048   2.7710   1.1310   2.9810   1.1460 -0.2102000 1.610000 
1 1 1   19   29    1 o   5.6030   0.6808   4.8640   1.0890   6.3420   0.8175 -1.479000 1.362000 
1 1 1   19   29    2 o   2.6210   0.7769   2.3820   1.0710   2.8600   1.1250 -0.4788000 1.554000 
1 1 1   19   29    3 o   2.3750   0.7426   2.1770   1.0140   2.5730   1.0850 -0.3962000 1.485000 
1 1 1   19   29    4 f   2.9180   0.8165   3.0560   1.1940   2.7800   1.1140 0.2766000 1.633000 
1 1 1   19   29    5 o   1.9660   0.6507   1.7100   0.8387   2.2210   0.9950 -0.5118000 1.301000 
1 1 1   19   29    6 o   1.9460   0.6417   2.5250   1.0850   1.3670   0.6856 1.158000 1.283000 
1 1 1   19   29    7 o   3.0460   0.7494   4.0500   1.1760   2.0430   0.9293 2.007000 1.499000 
1 1 1   19   29    8 f   1.9310   0.6633   2.0230   0.9840   1.8390   0.8898 0.1844000 1.327000 
1 1 1   20    0    0 o   9.7570   0.3100   9.7570   0.3100   9.7570   0.3100 0.000000 0.000000 
1 1 1   20    0    1 o   42.830   0.6181   42.830   0.6181   42.830   0.6181 0.000000 0.000000 
1 1 1   20    0    2 o   22.280   0.2132   22.280   0.2132   22.280   0.2132 0.000000 0.000000 
1 1 1   20    0    3 o   49.170   0.4091   49.170   0.4091   49.170   0.4091 0.000000 0.000000 
1 1 1   20    0    4 o   20.340   0.2144   20.340   0.2144   20.340   0.2144 0.000000 0.000000 
1 1 1   20    0    5 o   16.600   0.2121   16.600   0.2121   16.600   0.2121 0.000000 0.000000 
1 1 1   20    0    6 o   19.160   0.4038   19.160   0.4038   19.160   0.4038 0.000000 0.000000 
1 1 1   20    0    7 o   2.2860   0.9964   2.2860   0.9964   2.2860   0.9964 0.000000 0.000000 
1 1 1   20    0    8 o   15.650   0.2397   15.650   0.2397   15.650   0.2397 0.000000 0.000000 
1 1 1   20    0    9 o   16.210   0.2518   16.210   0.2518   16.210   0.2518 0.000000 0.000000 
1 1 1   20    0   10 o   40.720   0.3610   40.720   0.3610   40.720   0.3610 0.000000 0.000000 
1 1 1   20    0   11 o   33.130   0.3163   33.130   0.3163   33.130   0.3163 0.000000 0.000000 
1 1 1   20    0   12 o   19.880   0.2832   19.880   0.2832   19.880   0.2832 0.000000 0.000000 
1 1 1   20    0   13 o   25.520   0.2958   25.520   0.2958   25.520   0.2958 0.000000 0.000000 
1 1 1   20    0   14 o   44.630   0.4914   44.630   0.4914   44.630   0.4914 0.000000 0.000000 
1 1 1   20    0   15 o   21.840   0.3133   21.840   0.3133   21.840   0.3133 0.000000 0.000000 
1 1 1   20    0   16 o   10.370   0.4738   10.370   0.4738   10.370   0.4738 0.000000 0.000000 
1 1 1   20    0   17 o   26.640   0.3201   26.640   0.3201   26.640   0.3201 0.000000 0.000000 
1 1 1   20    0   18 o   11.940   0.4559   11.940   0.4559   11.940   0.4559 0.000000 0.000000 
1 1 1   20    0   19 o   3.1220   1.7360   3.1220   1.7360   3.1220   1.7360 0.000000 0.000000 
1 1 1   20    0   20 o   14.570   0.3791   14.570   0.3791   14.570   0.3791 0.000000 0.000000 
1 1 1   20    0   21 o   1.4160   0.9740   1.4160   0.9740   1.4160   0.9740 0.000000 0.000000 
1 1 1   20    0   22 o   1.4580   0.9924   1.4580   0.9924   1.4580   0.9924 0.000000 0.000000 
1 1 1   20    0   23 o   1.1970   0.8546   1.1970   0.8546   1.1970   0.8546 0.000000 0.000000 
1 1 1   20    0   24 o   1.9930   1.2160   1.9930   1.2160   1.9930   1.2160 0.000000 0.000000 
1 1 1   20    0   25 o   1.5140   1.0210   1.5140   1.0210   1.5140   1.0210 0.000000 0.000000 
1 1 1   20    0   26 o   1.8230   1.2040   1.8230   1.2040   1.8230   1.2040 0.000000 0.000000 
1 1 1   20    0   27 o   1.2690   0.9013   1.2690   0.9013   1.2690   0.9013 0.000000 0.000000 
1 1 1   20    0   28 o   1.3550   0.9479   1.3550   0.9479   1.3550   0.9479 0.000000 0.000000 
1 1 1   20    0   29 o   1.2570   0.8914   1.2570   0.8914   1.2570   0.8914 0.000000 0.000000 
1 1 1   20    0   30 o   1.9210   1.3350   1.9210   1.3350   1.9210   1.3350 0.000000 0.000000 
1 1 1   20    2    0 o   32.140   0.1933   32.100   0.2727   32.170   0.2740 -0.7004000E-01 0.3865000 
1 1 1   20    2    1 o   18.910   0.1679   18.740   0.2376   19.070   0.2372 -0.3315000 0.3357000 
1 1 1   20    2    2 o   17.860   0.1367   17.950   0.1946   17.780   0.1920 0.1740000 0.2734000 
1 1 1   20    2    3 f   5.2190   0.2550   5.6070   0.3340   4.8310   0.3855 0.7762000 0.5100000 
1 1 1   20    2    4 o   12.960   0.1480   12.930   0.2088   12.990   0.2098 -0.5444000E-01 0.2960000 
1 1 1   20    2    5 o   22.490   0.1807   22.520   0.2312   22.460   0.2778 0.5619000E-01 0.3614000 
1 1 1   20    2    6 o   2.3730   0.6251   2.5180   0.8875   2.2270   0.8806 0.2906000 1.250000 
1 1 1   20    2    7 o   3.8700   0.4599   4.0710   0.6286   3.6700   0.6716 0.4016000 0.9199000 
1 1 1   20    2    8 o   13.040   0.1800   13.180   0.2516   12.910   0.2576 0.2689000 0.3601000 
1 1 1   20    2    9 o   22.050   0.1984   22.380   0.3054   21.710   0.2535 0.6760000 0.3968000 
1 1 1   20    2   10 o   12.110   0.2002   11.900   0.2640   12.320   0.3010 -0.4260000 0.4004000 
1 1 1   20    2   11 o   31.400   0.2033   31.290   0.2660   31.510   0.3075 -0.2246000 0.4065000 
1 1 1   20    2   12 o   35.610   0.2230   35.510   0.2921   35.700   0.3371 -0.1887000 0.4460000 
1 1 1   20    2   13 o   36.380   0.2289   36.350   0.2997   36.400   0.3461 -0.5576000E-01 0.4578000 
1 1 1   20    2   14 f   33.580   0.2907   33.390   0.4087   33.780   0.4134 -0.3920000 0.5813000 
1 1 1   20    2   15 o   19.450   0.2150   19.920   0.2774   18.990   0.3286 0.9229000 0.4300000 
1 1 1   20    2   16 o   10.830   0.2981   10.860   0.3899   10.790   0.4511 0.6747000E-01 0.5962000 
1 1 1   20    2   17 o   5.5240   0.5492   5.0380   0.7918   6.0100   0.7613 -0.9720000 1.098000 
1 1 1   20    2   18 f   6.9850   0.6267   7.4770   0.8186   6.4930   0.9491 0.9835000 1.253000 
1 1 1   20    2   19 o   11.320   0.3542   11.220   0.4710   11.420   0.5291 -0.1977000 0.7083000 
1 1 1   20    2   20 o   3.1470   0.7244   3.8360   1.0100   2.4580   1.0390 1.378000 1.449000 
1 1 1   20    2   21 o   9.6530   0.3345   9.7240   0.4449   9.5820   0.4997 0.1419000 0.6690000 
1 1 1   20    2   22 o   6.5430   0.4789   6.9940   0.5861   6.0920   0.7575 0.9022000 0.9577000 
1 1 1   20    2   23 o   2.8090   0.7482   2.3610   0.9855   3.2560   1.1260 -0.8951000 1.496000 
1 1 1   20    2   24 o   4.6180   0.6639   4.6480   0.8604   4.5890   1.0110 0.5992000E-01 1.328000 
1 1 1   20    2   25 o   2.6330   0.7567   2.6630   1.0710   2.6040   1.0700 0.5851000E-01 1.513000 
1 1 1   20    2   26 o   2.5600   0.7514   1.6620   0.8258   3.4590   1.2560 -1.798000 1.503000 
1 1 1   20    2   27 o   3.5910   0.8006   4.3180   1.1220   2.8640   1.1430 1.454000 1.601000 
1 1 1   20    2   28 o   4.9800   0.7297   5.7590   0.8907   4.2010   1.1560 1.558000 1.459000 
1 1 1   20    2   29 o   1.5640   0.5515   1.5310   0.7650   1.5960   0.7945 -0.6569000E-01 1.103000 
1 1 1   20    2   30 o   2.6830   0.8951   2.6370   1.2510   2.7290   1.2810 -0.9206000E-01 1.790000 
1 1 1   20    4    0 o   29.230   0.2257   29.230   0.3192   29.230   0.3192 -0.2995000E-02 0.4515000 
1 1 1   20    4    1 o   26.640   0.1718   26.450   0.2415   26.830   0.2444 -0.3875000 0.3436000 
1 1 1   20    4    2 o   14.600   0.1393   14.600   0.1961   14.590   0.1980 0.8624000E-02 0.2787000 
1 1 1   20    4    3 o   8.8730   0.1755   8.6540   0.2522   9.0920   0.2441 -0.4379000 0.3510000 
1 1 1   20    4    4 o   28.160   0.2049   28.590   0.2663   27.720   0.3115 0.8672000 0.4099000 
1 1 1   20    4    5 o   12.470   0.2085   12.490   0.3008   12.450   0.2888 0.3776000E-01 0.4170000 
1 1 1   20    4    6 o   26.180   0.1830   25.720   0.2564   26.630   0.2611 -0.9046000 0.3660000 
1 1 1   20    4    7 o   18.620   0.1911   18.780   0.3005   18.460   0.2361 0.3146000 0.3821000 
1 1 1   20    4    8 o   21.490   0.1772   21.520   0.2517   21.460   0.2495 0.6314000E-01 0.3544000 
1 1 1   20    4    9 o   24.440   0.2076   24.760   0.3185   24.120   0.2662 0.6484000 0.4151000 
1 1 1   20    4   10 o   9.9090   0.2515   10.110   0.3505   9.7100   0.3608 0.3981000 0.5030000 
1 1 1   20    4   11 o   17.440   0.2258   17.180   0.2861   17.710   0.3494 -0.5251000 0.4515000 
1 1 1   20    4   12 o   14.800   0.2561   14.370   0.4070   15.230   0.3110 -0.8522000 0.5123000 
1 1 1   20    4   13 o   20.850   0.2282   20.740   0.3456   20.950   0.2982 -0.2067000 0.4565000 
1 1 1   20    4   14 o   13.480   0.3300   13.740   0.4656   13.230   0.4679 0.5084000 0.6601000 
1 1 1   20    4   15 o   13.860   0.2489   13.920   0.3233   13.800   0.3784 0.1207000 0.4977000 
1 1 1   20    4   16 o   11.400   0.2880   11.420   0.3782   11.370   0.4343 0.5622000E-01 0.5759000 
1 1 1   20    4   17 o   14.100   0.2483   14.150   0.3275   14.050   0.3734 0.9657000E-01 0.4967000 
1 1 1   20    4   18 o   26.170   0.3455   26.070   0.4124   26.270   0.5545 -0.1993000 0.6910000 
1 1 1   20    4   19 o   7.2990   0.4346   7.7140   0.5380   6.8830   0.6828 0.8315000 0.8693000 
1 1 1   20    4   20 o   2.8380   0.7423   3.1770   1.0610   2.4990   1.0380 0.6775000 1.485000 
1 1 1   20    4   21 o   2.7180   0.7427   2.4930   1.0030   2.9430   1.0950 -0.4503000 1.485000 
1 1 1   20    4   22 o   5.9920   0.5176   6.2320   0.6583   5.7510   0.7989 0.4809000 1.035000 
1 1 1   20    4   23 o   3.8660   0.7361   3.4920   1.0370   4.2410   1.0450 -0.7490000 1.472000 
1 1 1   20    4   24 o   2.2860   0.6937   2.3050   0.9686   2.2670   0.9933 0.3857000E-01 1.387000 
1 1 1   20    4   25 o   3.2420   0.7601   2.7620   1.0430   3.7230   1.1060 -0.9614000 1.520000 
1 1 1   20    4   26 o   2.5340   0.7856   2.2590   1.0370   2.8090   1.1810 -0.5503000 1.571000 
1 1 1   20    4   27 o   2.9650   0.7814   3.1080   1.0860   2.8220   1.1240 0.2855000 1.563000 
1 1 1   20    4   28 o   2.2020   0.6903   2.4610   1.0290   1.9430   0.9201 0.5173000 1.381000 
1 1 1   20    4   29 o   4.9970   0.7054   5.3110   0.8741   4.6820   1.1070 0.6288000 1.411000 
1 1 1   20    4   30 o   2.3430   0.7907   2.5490   1.1740   2.1370   1.0600 0.4128000 1.581000 
1 1 1   20    6    0 o   28.310   0.1839   28.350   0.2611   28.260   0.2590 0.8838000E-01 0.3678000 
1 1 1   20    6    1 o   15.750   0.1585   15.840   0.2108   15.660   0.2366 0.1772000 0.3169000 
1 1 1   20    6    2 o   12.590   0.1680   12.550   0.2201   12.630   0.2538 -0.7870000E-01 0.3360000 
1 1 1   20    6    3 o   33.350   0.2122   33.400   0.3000   33.310   0.3001 0.9116000E-01 0.4243000 
1 1 1   20    6    4 o   27.400   0.3325  ?   ?    27.400   0.3325      ?      ? 
1 1 1   20    6    5 o   31.370   0.2063   31.560   0.2929   31.180   0.2905 0.3862000 0.4125000 
1 1 1   20    6    6 o   24.830   0.2023   25.320   0.3120   24.350   0.2575 0.9656000 0.4045000 
1 1 1   20    6    7 o   21.400   0.1801   21.350   0.2567   21.440   0.2527 -0.9269000E-01 0.3602000 
1 1 1   20    6    8 o   26.770   0.1980   26.790   0.2821   26.750   0.2778 0.4239000E-01 0.3959000 
1 1 1   20    6    9 o   30.560   0.2138   30.680   0.3042   30.440   0.3005 0.2421000 0.4276000 
1 1 1   20    6   10 o   33.020   0.2260   33.080   0.3210   32.950   0.3182 0.1252000 0.4520000 
1 1 1   20    6   11 o   41.640   0.2664   41.740   0.3784   41.540   0.3752 0.1999000 0.5329000 
1 1 1   20    6   12 o   31.960   0.2520   31.660   0.3852   32.250   0.3252 -0.5888000 0.5041000 
1 1 1   20    6   13 o   32.370   0.2922   31.870   0.4149   32.870   0.4116 -1.007000 0.5845000 
1 1 1   20    6   14 o   29.080   0.2296   28.930   0.3261   29.230   0.3234 -0.3083000 0.4592000 
1 1 1   20    6   15 f   11.860   0.2943   11.550   0.4233   12.180   0.4090 -0.6270000 0.5887000 
1 1 1   20    6   16 o   15.160   0.2556   15.170   0.3635   15.150   0.3594 0.2187000E-01 0.5111000 
1 1 1   20    6   17 o   23.630   0.2537   23.720   0.3284   23.530   0.3868 0.1883000 0.5074000 
1 1 1   20    6   18 o   4.4660   0.7826   6.1200   1.0430   2.8120   1.1670 3.308000 1.565000 
1 1 1   20    6   19 o   4.1070   0.7624   3.8530   1.1240   4.3610   1.0310 -0.5082000 1.525000 
1 1 1   20    6   20 o   4.6750   0.6654   4.3000   0.9584   5.0510   0.9234 -0.7516000 1.331000 
1 1 1   20    6   21 o   11.080   0.2981   11.260   0.3912   10.900   0.4498 0.3544000 0.5962000 
1 1 1   20    6   22 o   3.3370   0.7657   3.1390   1.0580   3.5350   1.1070 -0.3960000 1.531000 
1 1 1   20    6   23 o   2.2370   0.6843   1.7570   0.8338   2.7160   1.0850 -0.9582000 1.369000 
1 1 1   20    6   24 o   3.2930   0.7399   3.8010   1.0130   2.7850   1.0780 1.015000 1.480000 
1 1 1   20    6   25 o   3.0640   0.8507   3.3420   1.2290   2.7860   1.1760 0.5561000 1.701000 
1 1 1   20    6   26 o   3.0430   0.7408   3.6960   1.0600   2.3900   1.0350 1.306000 1.482000 
1 1 1   20    6   27 o   2.3860   0.7132   2.7470   1.0700   2.0260   0.9437 0.7207000 1.426000 
1 1 1   20    6   28 o   2.0830   0.6726   1.6640   0.8104   2.5020   1.0740 -0.8381000 1.345000 
1 1 1   20    6   29 o   3.5140   0.9465   4.1290   1.3560   2.8990   1.3210 1.229000 1.893000 
1 1 1   20    6   30 f   3.1950   0.8173   2.9440   1.1200   3.4470   1.1910 -0.5027000 1.635000 
1 1 1   20    8    0 o   47.310   0.2663   47.190   0.4011   47.430   0.3502 -0.2360000 0.5325000 
1 1 1   20    8    1 o   13.040   0.1619   13.060   0.2389   13.010   0.2184 0.4894000E-01 0.3237000 
1 1 1   20    8    2 o   20.520   0.2114   20.560   0.2995   20.480   0.2985 0.8007000E-01 0.4228000 
1 1 1   20    8    3 o   34.050   0.2722   34.030   0.3855   34.070   0.3845 -0.4446000E-01 0.5445000 
1 1 1   20    8    4 o   14.590   0.2044   14.290   0.3227   14.890   0.2510 -0.6002000 0.4088000 
1 1 1   20    8    5 f   24.080   0.1867   24.190   0.2640   23.960   0.2641 0.2327000 0.3734000 
1 1 1   20    8    6 o   31.650   0.2155   31.610   0.3036   31.690   0.3058 -0.8477000E-01 0.4309000 
1 1 1   20    8    7 o   21.260   0.1872   21.190   0.2672   21.330   0.2623 -0.1402000 0.3744000 
1 1 1   20    8    8 o   16.280   0.1984   16.500   0.2821   16.060   0.2791 0.4393000 0.3968000 
1 1 1   20    8    9 o   31.800   0.2238   31.870   0.3176   31.730   0.3154 0.1402000 0.4476000 
1 1 1   20    8   10 o   51.330   0.3159   51.340   0.4476   51.320   0.4458 0.1870000E-01 0.6317000 
1 1 1   20    8   11 o   36.010   0.2698   35.580   0.4118   36.440   0.3487 -0.8583000 0.5397000 
1 1 1   20    8   12 o   21.830   0.2797   22.000   0.4096   21.660   0.3810 0.3366000 0.5595000 
1 1 1   20    8   13 o   11.780   0.3011   12.420   0.4171   11.150   0.4343 1.270000 0.6021000 
1 1 1   20    8   14 o   14.620   0.2623   14.730   0.3737   14.500   0.3682 0.2369000 0.5246000 
1 1 1   20    8   15 o   8.4570   0.4069   9.2660   0.5354   7.6490   0.6128 1.617000 0.8138000 
1 1 1   20    8   16 o   14.470   0.2918   14.410   0.3870   14.540   0.4369 -0.1282000 0.5837000 
1 1 1   20    8   17 o   3.3740   0.8873   3.5700   1.2940   3.1770   1.2140 0.3922000 1.775000 
1 1 1   20    8   18 o   8.5230   0.4067   8.6370   0.5802   8.4080   0.5702 0.2289000 0.8135000 
1 1 1   20    8   19 o   3.7480   0.7359   4.7480   1.0050   2.7490   1.0760 1.999000 1.472000 
1 1 1   20    8   20 o   9.7970   0.3532   10.390   0.4802   9.2020   0.5181 1.191000 0.7064000 
1 1 1   20    8   21 o   4.9860   0.6789   4.3210   1.0820   5.6510   0.8202 -1.330000 1.358000 
1 1 1   20    8   22 o   5.4920   0.6248   5.2580   0.9502   5.7270   0.8115 -0.4687000 1.250000 
1 1 1   20    8   23 o   7.9060   0.4052   7.5500   0.5636   8.2620   0.5825 -0.7128000 0.8105000 
1 1 1   20    8   24 o   5.8340   0.5763   5.3340   0.8869   6.3330   0.7361 -0.9985000 1.153000 
1 1 1   20    8   25 o   2.9840   0.8051   3.4960   1.1590   2.4710   1.1180 1.025000 1.610000 
1 1 1   20    8   26 o   2.2570   0.6859   1.5700   0.7695   2.9430   1.1360 -1.372000 1.372000 
1 1 1   20    8   27 o   2.4260   0.7345   2.1670   0.9702   2.6850   1.1030 -0.5173000 1.469000 
1 1 1   20    8   28 o   2.9400   0.7914   2.9320   1.0990   2.9470   1.1390 -0.1487000E-01 1.583000 
1 1 1   20    8   29 o   2.6780   0.8629   2.6530   1.1940   2.7040   1.2460 -0.5113000E-01 1.726000 
1 1 1   20   10    0 o   14.050   0.1943   13.930   0.2610   14.170   0.2880 -0.2376000 0.3887000 
1 1 1   20   10    1 o   32.810   0.2204   32.660   0.3067   32.950   0.3165 -0.2904000 0.4407000 
1 1 1   20   10    2 o   31.990   0.2022   31.740   0.3032   32.240   0.2676 -0.4993000 0.4044000 
1 1 1   20   10    3 o   34.520   0.2143   34.510   0.3223   34.530   0.2824 -0.2177000E-01 0.4285000 
1 1 1   20   10    4 o   5.5540   0.4097   6.1970   0.5088   4.9120   0.6422 1.286000 0.8193000 
1 1 1   20   10    5 f   44.540   0.2780   44.580   0.3933   44.500   0.3930 0.7912000E-01 0.5560000 
1 1 1   20   10    6 o   20.240   0.1937   20.330   0.2732   20.150   0.2748 0.1850000 0.3875000 
1 1 1   20   10    7 o   42.630   0.2721   42.400   0.3831   42.870   0.3865 -0.4644000 0.5442000 
1 1 1   20   10    8 o   16.690   0.2119   16.760   0.2954   16.620   0.3039 0.1397000 0.4238000 
1 1 1   20   10    9 o   50.410   0.3469   50.770   0.5377   50.050   0.4384 0.7244000 0.6938000 
1 1 1   20   10   10 o   65.410   0.4378   65.930   0.6811   64.890   0.5504 1.037000 0.8757000 
1 1 1   20   10   11 o   33.290   0.2999   33.560   0.4297   33.020   0.4185 0.5358000 0.5998000 
1 1 1   20   10   12 o   5.8460   0.5531   5.5630   0.8195   6.1290   0.7429 -0.5657000 1.106000 
1 1 1   20   10   13 o   7.1840   0.4786   6.1640   0.7758   8.2040   0.5608 -2.040000 0.9573000 
1 1 1   20   10   14 o   11.060   0.3253   10.920   0.4831   11.200   0.4358 -0.2834000 0.6506000 
1 1 1   20   10   15 o   10.610   0.3675   11.310   0.4698   9.9230   0.5652 1.383000 0.7349000 
1 1 1   20   10   16 o   2.6250   0.8169   2.8170   1.2230   2.4320   1.0830 0.3852000 1.634000 
1 1 1   20   10   17 o   9.2980   0.3840   9.8430   0.5431   8.7540   0.5430 1.089000 0.7680000 
1 1 1   20   10   18 o   4.1350   0.7817   4.0350   1.1480   4.2360   1.0610 -0.2007000 1.563000 
1 1 1   20   10   19 o   10.400   0.3410   10.300   0.4956   10.500   0.4687 -0.2013000 0.6821000 
1 1 1   20   10   20 o   3.0280   0.7548   3.6970   1.1160   2.3600   1.0160 1.337000 1.510000 
1 1 1   20   10   21 o   3.5960   0.7928   3.3820   1.1470   3.8100   1.0950 -0.4281000 1.586000 
1 1 1   20   10   22 o   6.9920   0.4891   7.0000   0.6986   6.9850   0.6846 0.1419000E-01 0.9781000 
1 1 1   20   10   23 o   4.9320   0.6871   4.3190   1.0900   5.5450   0.8363 -1.225000 1.374000 
1 1 1   20   10   24 o   3.8000   0.9481   4.7070   1.4520   2.8940   1.2200 1.813000 1.896000 
1 1 1   20   10   25 o   5.2960   0.6750   4.8900   1.0290   5.7020   0.8738 -0.8126000 1.350000 
1 1 1   20   10   26 o   5.2570   0.7129   4.8010   1.0800   5.7140   0.9315 -0.9128000 1.426000 
1 1 1   20   10   27 o   1.8640   0.6249   1.5650   0.7711   2.1640   0.9836 -0.5990000 1.250000 
1 1 1   20   10   28 o   3.2450   0.9377   2.3500   1.1030   4.1410   1.5170 -1.791000 1.875000 
1 1 1   20   10   29 o   2.4160   0.7788   2.4900   1.1070   2.3430   1.0960 0.1474000 1.558000 
1 1 1   20   12    0 o   34.170   0.2004   33.590   0.2799   34.750   0.2868 -1.154000 0.4008000 
1 1 1   20   12    1 o   24.000   0.1858   24.090   0.2774   23.920   0.2474 0.1740000 0.3717000 
1 1 1   20   12    2 o   22.350   0.1998   22.830   0.2779   21.870   0.2871 0.9634000 0.3996000 
1 1 1   20   12    3 o   5.6520   0.4237   5.6770   0.6306   5.6270   0.5661 0.4952000E-01 0.8474000 
1 1 1   20   12    4 o   36.240   0.2284   36.660   0.3465   35.830   0.2977 0.8298000 0.4568000 
1 1 1   20   12    5 o   35.980   0.2431   36.080   0.3447   35.880   0.3429 0.1981000 0.4862000 
1 1 1   20   12    6 o   26.260   0.2313   26.040   0.3524   26.490   0.2996 -0.4523000 0.4626000 
1 1 1   20   12    7 o   29.180   0.2423   29.250   0.3692   29.110   0.3138 0.1469000 0.4845000 
1 1 1   20   12    8 f   24.030   0.2176   23.830   0.3096   24.240   0.3059 -0.4061000 0.4352000 
1 1 1   20   12    9 o   5.4590   0.7703   5.4590   1.0660   5.4580   1.1130 0.1803000E-02 1.541000 
1 1 1   20   12   10 o   20.410   0.2884   20.120   0.4058   20.700   0.4098 -0.5800000 0.5768000 
1 1 1   20   12   11 o   14.820   0.2595   14.860   0.3733   14.780   0.3607 0.7959000E-01 0.5191000 
1 1 1   20   12   12 o   17.800   0.2401   17.730   0.3466   17.870   0.3323 -0.1407000 0.4802000 
1 1 1   20   12   13 o   5.7800   0.6411   5.2840   0.9431   6.2750   0.8686 -0.9906000 1.282000 
1 1 1   20   12   14 o   9.3300   0.3937   9.5980   0.5160   9.0630   0.5946 0.5355000 0.7873000 
1 1 1   20   12   15 o   17.450   0.3119   17.370   0.4582   17.520   0.4234 -0.1595000 0.6239000 
1 1 1   20   12   16 o   6.1920   0.5352   6.1880   0.7942   6.1960   0.7175 -0.7347000E-02 1.070000 
1 1 1   20   12   17 o   7.1120   0.4826   6.6100   0.7516   7.6130   0.6057 -1.003000 0.9653000 
1 1 1   20   12   18 o   7.2270   0.4727   7.5620   0.6657   6.8910   0.6713 0.6705000 0.9454000 
1 1 1   20   12   19 o   14.390   0.2771   14.430   0.4024   14.340   0.3811 0.9231000E-01 0.5542000 
1 1 1   20   12   20 o   3.3940   0.7895   3.9450   1.1420   2.8440   1.0910 1.100000 1.579000 
1 1 1   20   12   21 o   4.1490   0.7684   4.5110   1.0590   3.7870   1.1130 0.7245000 1.537000 
1 1 1   20   12   22 o   5.9060   0.5834   5.7950   0.8683   6.0170   0.7793 -0.2220000 1.167000 
1 1 1   20   12   23 o   6.0950   0.8340   5.6320   1.3520   6.5590   0.9772 -0.9278000 1.668000 
1 1 1   20   12   24 o   5.0420   0.7174   4.2550   1.1600   5.8300   0.8443 -1.575000 1.435000 
1 1 1   20   12   25 o   4.1340   0.8074   4.3610   1.1210   3.9070   1.1630 0.4540000 1.615000 
1 1 1   20   12   26 o   3.5610   0.8153   4.0480   1.1490   3.0740   1.1570 0.9744000 1.631000 
1 1 1   20   12   27 o   2.3740   0.7651   2.2760   1.0390   2.4730   1.1230 -0.1971000 1.530000 
1 1 1   20   12   28 o   2.1090   0.7028   2.0890   0.9790   2.1290   1.0090 -0.4032000E-01 1.406000 
1 1 1   20   14    0 f   45.870   0.2890   45.940   0.4091   45.790   0.4084 0.1462000 0.5781000 
1 1 1   20   14    1 o   29.840   0.2453   29.930   0.3780   29.740   0.3126 0.1894000 0.4905000 
1 1 1   20   14    2 o   14.730   0.2478   14.200   0.3768   15.260   0.3220 -1.059000 0.4956000 
1 1 1   20   14    3 o   14.350   0.2556   14.250   0.3866   14.450   0.3344 -0.1926000 0.5112000 
1 1 1   20   14    4 o   7.5220   0.3738   7.6870   0.5464   7.3580   0.5101 0.3292000 0.7475000 
1 1 1   20   14    5 o   21.340   0.2052   21.090   0.3083   21.590   0.2709 -0.5002000 0.4104000 
1 1 1   20   14    6 o   14.070   0.2617   14.510   0.3606   13.630   0.3793 0.8739000 0.5234000 
1 1 1   20   14    7 o   5.8210   0.7592   5.7050   1.0530   5.9370   1.0950 -0.2321000 1.518000 
1 1 1   20   14    8 o   9.5710   0.3578   9.8640   0.5025   9.2790   0.5094 0.5849000 0.7156000 
1 1 1   20   14    9 o   8.5810   0.3908   8.7630   0.5561   8.3990   0.5492 0.3640000 0.7816000 
1 1 1   20   14   10 o   6.7900   0.4985   7.2800   0.6667   6.3000   0.7413 0.9801000 0.9970000 
1 1 1   20   14   11 o   21.740   0.2523   21.870   0.3324   21.620   0.3796 0.2453000 0.5045000 
1 1 1   20   14   12 o   9.4700   0.3892   9.5570   0.5253   9.3840   0.5745 0.1727000 0.7785000 
1 1 1   20   14   13 o   15.710   0.3264   16.230   0.4747   15.190   0.4483 1.043000 0.6529000 
1 1 1   20   14   14 o   7.1780   0.6030   7.9170   0.8164   6.4390   0.8878 1.478000 1.206000 
1 1 1   20   14   15 o   9.5160   0.3658   9.4880   0.5376   9.5430   0.4962 -0.5472000E-01 0.7316000 
1 1 1   20   14   16 o   2.4200   0.7306   2.7330   1.1090   2.1080   0.9516 0.6250000 1.461000 
1 1 1   20   14   17 o   7.7670   0.4382   7.6260   0.6594   7.9080   0.5775 -0.2819000 0.8765000 
1 1 1   20   14   18 o   2.8100   0.7508   3.5200   1.1600   2.1010   0.9537 1.419000 1.502000 
1 1 1   20   14   19 o   7.3300   0.4537   7.5510   0.6383   7.1080   0.6450 0.4433000 0.9075000 
1 1 1   20   14   20 o   2.2490   0.7044   2.5000   1.0600   1.9990   0.9283 0.5013000 1.409000 
1 1 1   20   14   21 o   3.8560   0.8023   3.3330   1.2290   4.3780   1.0320 -1.045000 1.605000 
1 1 1   20   14   22 o   3.3300   0.8656   2.5160   1.1260   4.1440   1.3150 -1.628000 1.731000 
1 1 1   20   14   23 o   3.7820   0.8210   3.9510   1.1680   3.6120   1.1540 0.3395000 1.642000 
1 1 1   20   14   24 o   4.4010   0.7704   5.1890   0.9982   3.6120   1.1740 1.577000 1.541000 
1 1 1   20   14   25 f   2.1310   0.6921   2.4680   1.0780   1.7940   0.8679 0.6737000 1.384000 
1 1 1   20   14   26 o   3.0630   0.8299   2.1780   1.0070   3.9480   1.3190 -1.770000 1.660000 
1 1 1   20   14   27 o   2.8470   0.8695   2.9800   1.2860   2.7130   1.1710 0.2674000 1.739000 
1 1 1   20   16    0 o   28.250   0.1986   28.400   0.2811   28.100   0.2806 0.3079000 0.3972000 
1 1 1   20   16    1 o   11.450   0.2871   11.280   0.4466   11.630   0.3610 -0.3483000 0.5743000 
1 1 1   20   16    2 o   4.5830   0.6749   4.4720   1.0420   4.6930   0.8580 -0.2204000 1.350000 
1 1 1   20   16    3 o   7.1640   0.5207   7.1270   0.8036   7.2020   0.6624 -0.7499000E-01 1.041000 
1 1 1   20   16    4 o   10.120   0.3895   10.760   0.5721   9.4790   0.5288 1.277000 0.7790000 
1 1 1   20   16    5 o   16.850   0.2300   16.810   0.3477   16.880   0.3011 -0.6912000E-01 0.4600000 
1 1 1   20   16    6 o   15.660   0.2774   15.590   0.4582   15.720   0.3127 -0.1321000 0.5547000 
1 1 1   20   16    7 o   18.640   0.2272   18.850   0.3389   18.440   0.3028 0.4104000 0.4544000 
1 1 1   20   16    8 o   8.9410   0.4241   9.0180   0.5470   8.8640   0.6482 0.1541000 0.8482000 
1 1 1   20   16    9 o   2.5380   0.7709   2.3260   1.0240   2.7500   1.1520 -0.4239000 1.542000 
1 1 1   20   16   10 o   19.380   0.2393   19.340   0.3428   19.420   0.3339 -0.8167000E-01 0.4785000 
1 1 1   20   16   11 o   11.850   0.4030   11.590   0.5955   12.110   0.5431 -0.5204000 0.8060000 
1 1 1   20   16   12 f   8.3210   0.5420   8.2800   0.7989   8.3620   0.7326 -0.8240000E-01 1.084000 
1 1 1   20   16   13 o   11.900   0.3138   11.790   0.4522   12.000   0.4350 -0.2078000 0.6275000 
1 1 1   20   16   14 o   2.7560   0.7742   2.6610   1.0970   2.8510   1.0920 -0.1908000 1.548000 
1 1 1   20   16   15 o   4.4380   0.7181   5.3190   0.9277   3.5570   1.0960 1.762000 1.436000 
1 1 1   20   16   16 o   3.2650   0.7988   3.0110   1.1450   3.5190   1.1140 -0.5080000 1.598000 
1 1 1   20   16   17 o   9.5650   0.3711   9.3630   0.5553   9.7660   0.4925 -0.4025000 0.7422000 
1 1 1   20   16   18 o   7.6560   0.4633   7.1500   0.7192   8.1620   0.5841 -1.011000 0.9266000 
1 1 1   20   16   19 o   6.7720   0.5096   6.7910   0.7421   6.7540   0.6984 0.3652000E-01 1.019000 
1 1 1   20   16   20 o   6.3700   0.5806   6.7580   0.8518   5.9820   0.7892 0.7760000 1.161000 
1 1 1   20   16   21 o   2.2100   0.7324   2.1080   1.0010   2.3130   1.0700 -0.2045000 1.465000 
1 1 1   20   16   22 o   2.2770   0.7138   2.4310   1.0490   2.1240   0.9687 0.3075000 1.428000 
1 1 1   20   16   23 o   2.3510   0.7277   2.0930   0.9722   2.6100   1.0830 -0.5172000 1.455000 
1 1 1   20   16   24 o   2.4060   0.7452   2.5020   1.0810   2.3090   1.0260 0.1931000 1.490000 
1 1 1   20   16   25 o   3.5870   0.9296   4.4320   1.3720   2.7410   1.2540 1.690000 1.859000 
1 1 1   20   16   26 o   4.2420   1.4110   4.2420   1.4110  ?   ?       ?      ? 
1 1 1   20   18    0 o   21.150   0.2529   21.130   0.4166   21.180   0.2869 -0.4811000E-01 0.5059000 
1 1 1   20   18    1 o   10.600   0.2986   10.270   0.4414   10.920   0.4022 -0.6538000 0.5971000 
1 1 1   20   18    2 o   22.610   0.2320   23.180   0.3327   22.050   0.3234 1.129000 0.4639000 
1 1 1   20   18    3 o   15.750   0.2537   15.940   0.3596   15.560   0.3580 0.3741000 0.5075000 
1 1 1   20   18    4 o   4.5350   0.7060   4.9900   0.9362   4.0800   1.0570 0.9106000 1.412000 
1 1 1   20   18    5 o   10.680   0.3226   11.210   0.4518   10.160   0.4607 1.044000 0.6453000 
1 1 1   20   18    6 o   11.020   0.3020   11.210   0.4499   10.840   0.4030 0.3713000 0.6040000 
1 1 1   20   18    7 o   13.140   0.2709   12.760   0.4168   13.510   0.3462 -0.7435000 0.5418000 
1 1 1   20   18    8 o   8.7600   0.4625   8.7160   0.7354   8.8040   0.5611 -0.8738000E-01 0.9250000 
1 1 1   20   18    9 o   3.4350   0.8342   3.0180   1.2410   3.8530   1.1150 -0.8351000 1.668000 
1 1 1   20   18   10 o   7.3840   0.4829   7.6360   0.6630   7.1310   0.7024 0.5050000 0.9659000 
1 1 1   20   18   11 o   6.0840   0.5820   6.1910   0.8125   5.9760   0.8334 0.2154000 1.164000 
1 1 1   20   18   12 o   14.620   0.2839   14.660   0.3980   14.580   0.4050 0.8015000E-01 0.5678000 
1 1 1   20   18   13 o   5.2520   0.6530   5.5250   0.8913   4.9790   0.9545 0.5454000 1.306000 
1 1 1   20   18   14 o   6.5640   0.5303   6.5740   0.7503   6.5540   0.7497 0.1968000E-01 1.061000 
1 1 1   20   18   15 o   8.0650   0.4334   7.6320   0.6607   8.4970   0.5612 -0.8657000 0.8669000 
1 1 1   20   18   16 f   3.9720   0.7903   3.8350   1.1560   4.1090   1.0780 -0.2732000 1.581000 
1 1 1   20   18   17 o   9.3600   0.3943   8.9460   0.6011   9.7740   0.5103 -0.8282000 0.7886000 
1 1 1   20   18   18 o   2.8920   0.8144   3.0360   1.2190   2.7480   1.0800 0.2880000 1.629000 
1 1 1   20   18   19 o   3.5150   0.9010   3.1380   1.2250   3.8910   1.3210 -0.7531000 1.802000 
1 1 1   20   18   20 o   5.3960   0.6588   5.0040   1.0280   5.7890   0.8245 -0.7846000 1.318000 
1 1 1   20   18   21 o   2.0900   0.6815   2.3890   1.0550   1.7920   0.8631 0.5968000 1.363000 
1 1 1   20   18   22 o   2.1950   0.7008   1.8870   0.9053   2.5030   1.0700 -0.6162000 1.402000 
1 1 1   20   18   23 o   2.6360   0.7944   2.3590   1.0490   2.9120   1.1930 -0.5529000 1.589000 
1 1 1   20   18   24 o   2.3110   0.7636   2.1620   1.0460   2.4610   1.1130 -0.2988000 1.527000 
1 1 1   20   20    0 o   5.4770   0.5512   6.0970   0.6712   4.8560   0.8745 1.241000 1.102000 
1 1 1   20   20    1 o   4.2050   0.7933   3.6670   1.3120   4.7430   0.8928 -1.076000 1.587000 
1 1 1   20   20    2 o   13.400   0.4443   13.090   0.8133   13.700   0.3582 -0.6067000 0.8887000 
1 1 1   20   20    3 o   11.940   0.4870   11.690   0.8942   12.190   0.3863 -0.4997000 0.9740000 
1 1 1   20   20    4 o   10.060   0.4134   9.8920   0.6559   10.230   0.5032 -0.3351000 0.8267000 
1 1 1   20   20    5 o   13.720   0.3331   13.320   0.5271   14.120   0.4075 -0.8015000 0.6663000 
1 1 1   20   20    6 o   5.5530   0.7039   5.4100   1.1350   5.6960   0.8330 -0.2859000 1.408000 
1 1 1   20   20    7 o   4.0540   0.7388   4.4700   1.0470   3.6380   1.0430 0.8329000 1.478000 
1 1 1   20   20    8 o   10.280   0.3293   10.200   0.5083   10.350   0.4188 -0.1463000 0.6586000 
1 1 1   20   20    9 o   11.710   0.2978   11.680   0.4516   11.730   0.3883 -0.5478000E-01 0.5956000 
1 1 1   20   20   10 o   2.5260   0.7395   2.5870   1.0810   2.4640   1.0100 0.1231000 1.479000 
1 1 1   20   20   11 o   12.260   0.3114   12.430   0.4411   12.090   0.4396 0.3389000 0.6228000 
1 1 1   20   20   12 o   3.2320   0.8126   3.1660   1.1580   3.2980   1.1410 -0.1315000 1.625000 
1 1 1   20   20   13 o   2.7640   0.7909   2.8460   1.1300   2.6830   1.1070 0.1629000 1.582000 
1 1 1   20   20   14 o   6.1740   0.5711   6.7040   0.7476   5.6440   0.8637 1.060000 1.142000 
1 1 1   20   20   15 o   3.8010   0.8519   3.8850   1.2570   3.7160   1.1500 0.1693000 1.704000 
1 1 1   20   20   16 o   5.0930   0.7404   5.9890   1.0180   4.1980   1.0760 1.792000 1.481000 
1 1 1   20   20   17 o   3.0470   0.8011   4.3000   1.3330   1.7950   0.8892 2.505000 1.602000 
1 1 1   20   20   18 o   6.2190   0.6667   5.6030   1.1210   6.8360   0.7227 -1.233000 1.333000 
1 1 1   20   20   19 o   2.2300   0.7092   1.9980   0.9451   2.4630   1.0580 -0.4655000 1.418000 
1 1 1   20   20   20 o   8.3880   0.4456   8.5950   0.6291   8.1810   0.6311 0.4140000 0.8911000 
1 1 1   20   20   21 o   5.7880   0.7053   4.6460   1.1210   6.9300   0.8562 -2.284000 1.411000 
1 1 1   20   20   22 o   1.9350   0.6721   2.1940   1.0530   1.6760   0.8361 0.5187000 1.344000 
1 1 1   20   22    0 o   7.0980   0.4147   6.9390   0.5986   7.2570   0.5742 -0.3173000 0.8294000 
1 1 1   20   22    1 o   10.040   0.3085   10.170   0.4362   9.9200   0.4365 0.2464000 0.6171000 
1 1 1   20   22    2 o   2.4830   0.7205   3.1280   1.1580   1.8370   0.8581 1.291000 1.441000 
1 1 1   20   22    3 o   20.760   0.2310   20.900   0.3559   20.610   0.2946 0.2866000 0.4620000 
1 1 1   20   22    4 o   7.1360   0.7639   6.6140   1.4320   7.6570   0.5329 -1.043000 1.528000 
1 1 1   20   22    5 o   4.0650   0.9093   3.9050   1.5500   4.2260   0.9506 -0.3206000 1.819000 
1 1 1   20   22    6 o   10.160   0.5785   8.9550   1.0860   11.370   0.3982 -2.416000 1.157000 
1 1 1   20   22    7 o   7.6580   0.4274   8.0720   0.6339   7.2440   0.5734 0.8283000 0.8548000 
1 1 1   20   22    8 o   5.3950   0.6126   6.4910   0.7684   4.2990   0.9542 2.192000 1.225000 
1 1 1   20   22    9 o   8.8410   0.3778   9.1350   0.5680   8.5470   0.4984 0.5881000 0.7557000 
1 1 1   20   22   10 o   4.8380   0.6836   4.2120   1.1420   5.4630   0.7516 -1.251000 1.367000 
1 1 1   20   22   11 o   7.5300   0.4365   7.4620   0.6742   7.5980   0.5545 -0.1362000 0.8730000 
1 1 1   20   22   12 o   5.1090   0.7431   4.8390   1.1900   5.3790   0.8908 -0.5402000 1.486000 
1 1 1   20   22   13 o   10.780   0.3857   11.150   0.5905   10.410   0.4963 0.7410000 0.7714000 
1 1 1   20   22   14 f   3.1950   0.7944   2.5060   1.0840   3.8850   1.1620 -1.379000 1.589000 
1 1 1   20   22   15 o   3.1510   0.8936   3.6590   1.3150   2.6430   1.2110 1.016000 1.787000 
1 1 1   20   22   16 o   2.4500   0.7594   2.5690   1.1030   2.3320   1.0450 0.2370000 1.519000 
1 1 1   20   22   17 o   3.7530   0.8428   4.1640   1.1960   3.3430   1.1880 0.8209000 1.686000 
1 1 1   20   22   18 o   3.0170   0.8154   3.3600   1.1920   2.6740   1.1130 0.6857000 1.631000 
1 1 1   20   22   19 o   3.0470   0.8168   3.6500   1.2010   2.4440   1.1080 1.206000 1.634000 
1 1 1   20   22   20 o   2.1050   0.7127   2.2740   1.0850   1.9370   0.9244 0.3364000 1.425000 
1 1 1   20   24    0 o   3.1710   0.6996   3.9600   0.9879   2.3810   0.9909 1.580000 1.399000 
1 1 1   20   24    1 o   9.0190   0.3404   8.7810   0.4909   9.2580   0.4718 -0.4771000 0.6809000 
1 1 1   20   24    2 o   4.4180   0.7308   4.2380   1.1430   4.5980   0.9106 -0.3608000 1.462000 
1 1 1   20   24    3 o   7.3410   0.4519   7.2700   0.7045   7.4110   0.5662 -0.1407000 0.9038000 
1 1 1   20   24    4 o   7.9370   0.4095   7.7180   0.6379   8.1560   0.5138 -0.4378000 0.8191000 
1 1 1   20   24    5 o   4.8650   0.6700   4.3800   1.0970   5.3510   0.7691 -0.9707000 1.340000 
1 1 1   20   24    6 o   3.0410   0.7798   3.0990   1.1500   2.9840   1.0540 0.1155000 1.560000 
1 1 1   20   24    7 o   4.5220   1.0390  ?   ?    4.5220   1.0390      ?      ? 
1 1 1   20   24    8 o   8.2340   0.5909  ?   ?    8.2340   0.5909      ?      ? 
1 1 1   20   24    9 o   6.6620   0.7167  ?   ?    6.6620   0.7167      ?      ? 
1 1 1   20   24   10 o   3.9580   0.8159   3.6470   1.3010   4.2690   0.9847 -0.6221000 1.632000 
1 1 1   20   24   11 o   7.9050   0.4243   8.3410   0.6285   7.4690   0.5703 0.8721000 0.8487000 
1 1 1   20   24   12 f   2.8560   0.8316   2.6890   1.1660   3.0220   1.1870 -0.3330000 1.663000 
1 1 1   20   24   13 o   4.6180   0.7150   3.0800   1.2510   6.1550   0.6928 -3.075000 1.430000 
1 1 1   20   24   14 o   3.2310   0.8051   3.6840   1.2080   2.7780   1.0640 0.9063000 1.610000 
1 1 1   20   24   15 o   2.1240   0.6536   1.4630   0.7378   2.7840   1.0790 -1.320000 1.307000 
1 1 1   20   24   16 o   2.4410   0.7653   2.5330   1.0940   2.3480   1.0710 0.1846000 1.531000 
1 1 1   20   24   17 o   2.1290   0.7095   1.7700   0.8649   2.4870   1.1250 -0.7173000 1.419000 
1 1 1   20   24   18 o   2.4580   0.8020   2.2240   1.0710   2.6910   1.1940 -0.4665000 1.604000 
1 1 1   20   26    0 o   2.3160   0.7159   1.9920   0.9282   2.6410   1.0900 -0.6490000 1.432000 
1 1 1   20   26    1 o   9.4710   0.3338   9.1000   0.4928   9.8410   0.4504 -0.7409000 0.6676000 
1 1 1   20   26    2 o   2.5570   0.7445   2.4040   1.0640   2.7110   1.0410 -0.3063000 1.489000 
1 1 1   20   26    3 o   6.6740   0.5163   6.2130   0.8468   7.1350   0.5910 -0.9220000 1.033000 
1 1 1   20   26    4 o   3.3460   0.7327   2.5560   1.0830   4.1360   0.9867 -1.580000 1.465000 
1 1 1   20   26    5 o   2.4840   0.7325   2.9000   1.1300   2.0670   0.9318 0.8322000 1.465000 
1 1 1   20   26    6 f   3.1040   0.7838   3.1820   1.1500   3.0270   1.0650 0.1552000 1.568000 
1 1 1   20   26    7 o   2.2810   0.7244   2.1980   1.0000   2.3650   1.0480 -0.1675000 1.449000 
1 1 1   20   26    8 o   3.2530   0.8649   3.2860   1.2520   3.2200   1.1930 0.6625000E-01 1.730000 
1 1 1   20   26    9 f   8.4270   0.5064   8.6130   0.7561   8.2410   0.6739 0.3724000 1.013000 
1 1 1   20   26   10 f   3.6700   0.7904   3.3160   1.1890   4.0240   1.0420 -0.7079000 1.581000 
1 1 1   20   26   11 o   2.7140   0.8509   2.8400   1.3430   2.5880   1.0450 0.2520000 1.702000 
1 1 1   20   26   12 o   2.3240   0.7871   2.5780   1.2470   2.0710   0.9603 0.5073000 1.574000 
1 1 1   20   26   13 o   3.7000   0.9921   3.8440   1.5920   3.5550   1.1840 0.2888000 1.984000 
1 1 1   20   26   14 o   2.8170   0.7969   2.8510   1.1590   2.7820   1.0940 0.6922000E-01 1.594000 
1 1 1   20   26   15 o   2.5760   0.8311   2.7390   1.2220   2.4140   1.1260 0.3260000 1.662000 
1 1 1   20   28    0 o   2.8560   0.7464   1.9160   0.9131   3.7970   1.1810 -1.880000 1.493000 
1 1 1   20   28    1 o   2.4000   0.7462   2.4410   1.0680   2.3590   1.0420 0.8175000E-01 1.492000 
1 1 1   20   28    2 o   4.1110   0.8749   4.6070   1.2910   3.6150   1.1820 0.9927000 1.750000 
1 1 1   20   28    3 o   6.8620   0.6191   7.2620   0.9381   6.4630   0.8082 0.7988000 1.238000 
1 1 1   20   28    4 o   3.6780   0.8422   3.3180   1.2060   4.0380   1.1760 -0.7205000 1.684000 
1 1 1   20   28    5 o   2.3200   0.7137   2.1610   0.9893   2.4800   1.0290 -0.3193000 1.427000 
1 1 1   20   28    6 o   3.2450   0.8284   3.5480   1.2100   2.9420   1.1310 0.6052000 1.657000 
1 1 1   20   28    7 o   2.2210   0.7082   2.5980   1.1070   1.8440   0.8842 0.7532000 1.416000 
1 1 1   20   28    8 o   6.3340   0.6058   7.3260   0.7288   5.3420   0.9679 1.983000 1.212000 
1 1 1   20   28    9 o   2.6340   0.7570   3.1970   1.1860   2.0720   0.9406 1.126000 1.514000 
1 1 1   20   28   10 o   3.1970   0.7255   4.4650   1.1350   1.9290   0.9038 2.535000 1.451000 
1 1 1   20   30    0 o   2.3330   0.7061   2.4450   1.0230   2.2220   0.9735 0.2230000 1.412000 
1 1 1   20   30    1 o   2.1630   0.6778   1.9560   0.9071   2.3690   1.0070 -0.4135000 1.356000 
1 1 1   20   30    2 o   4.3120   0.7920   4.1200   1.2220   4.5040   1.0080 -0.3840000 1.584000 
1 1 1   21    1    0 o   10.190   0.1629   10.080   0.2775   10.290   0.1706 -0.2061000 0.3258000 
1 1 1   21    1    1 o   11.350   0.1599   11.450   0.2317   11.250   0.2204 0.2083000 0.3197000 
1 1 1   21    1    2 o   32.640   0.2241   32.830   0.3495   32.450   0.2806 0.3797000 0.4482000 
1 1 1   21    1    3 o   25.680   0.1898   25.700   0.2957   25.670   0.2381 0.3883000E-01 0.3797000 
1 1 1   21    1    4 o   11.880   0.1766   11.820   0.2763   11.950   0.2201 -0.1370000 0.3533000 
1 1 1   21    1    5 o   3.9430   0.5121   3.7250   0.7743   4.1610   0.6705 -0.4362000 1.024000 
1 1 1   21    1    6 o   4.7480   0.4551   4.8250   0.6462   4.6700   0.6411 0.1547000 0.9103000 
1 1 1   21    1    7 o   10.610   0.1791   10.340   0.2358   10.870   0.2695 -0.5331000 0.3581000 
1 1 1   21    1    8 f   33.740   0.2038   33.730   0.2666   33.750   0.3083 -0.1291000E-01 0.4076000 
1 1 1   21    1    9 o   18.170   0.1664   18.130   0.2164   18.200   0.2528 -0.6380000E-01 0.3328000 
1 1 1   21    1   10 o   31.520   0.2010   31.800   0.2649   31.240   0.3023 0.5545000 0.4019000 
1 1 1   21    1   11 o   30.130   0.1990   30.240   0.2615   30.020   0.3000 0.2237000 0.3980000 
1 1 1   21    1   12 o   33.600   0.2156   33.470   0.2810   33.740   0.3271 -0.2647000 0.4313000 
1 1 1   21    1   13 o   15.690   0.2108   15.430   0.2766   15.950   0.3182 -0.5256000 0.4216000 
1 1 1   21    1   14 o   4.1620   0.8428   3.8270   1.2070   4.4970   1.1770 -0.6698000 1.686000 
1 1 1   21    1   15 o   17.580   0.2683   17.440   0.4179   17.710   0.3366 -0.2702000 0.5365000 
1 1 1   21    1   16 o   22.900   0.2269   23.060   0.3187   22.740   0.3230 0.3165000 0.4537000 
1 1 1   21    1   17 o   14.480   0.2657   14.310   0.3766   14.650   0.3748 -0.3399000 0.5313000 
1 1 1   21    1   18 o   21.380   0.4114   21.500   0.5917   21.260   0.5716 0.2420000 0.8227000 
1 1 1   21    1   19 o   8.6580   0.3969   8.6520   0.5650   8.6640   0.5575 -0.1117000E-01 0.7937000 
1 1 1   21    1   20 o   4.5650   0.7210   4.7520   0.9826   4.3780   1.0550 0.3741000 1.442000 
1 1 1   21    1   21 f   6.3560   0.5167   6.3010   0.7343   6.4110   0.7270 -0.1102000 1.033000 
1 1 1   21    1   22 o   2.9220   0.7869   3.0900   1.1280   2.7550   1.0970 0.3353000 1.574000 
1 1 1   21    1   23 o   10.570   0.3434   10.960   0.4748   10.170   0.4962 0.7941000 0.6868000 
1 1 1   21    1   24 o   3.4950   0.7482   2.6300   1.0710   4.3600   1.0450 -1.731000 1.496000 
1 1 1   21    1   25 o   6.2610   0.5365   5.9150   0.8066   6.6070   0.7078 -0.6914000 1.073000 
1 1 1   21    1   26 o   3.4580   0.8627   4.1660   1.2630   2.7500   1.1750 1.416000 1.725000 
1 1 1   21    1   27 o   2.7090   0.7898   2.6960   1.1150   2.7230   1.1190 -0.2687000E-01 1.580000 
1 1 1   21    1   28 o   2.1150   0.6910   2.0700   0.9624   2.1600   0.9918 -0.9069000E-01 1.382000 
1 1 1   21    1   29 f   1.9830   0.6644   1.9850   0.9401   1.9810   0.9392 0.3507000E-02 1.329000 
1 1 1   21    1   30 f   1.9590   0.6961   2.0260   1.0140   1.8920   0.9535 0.1337000 1.392000 
1 1 1   21    3    0 o   12.160   0.1588   11.960   0.2237   12.360   0.2256 -0.4010000 0.3177000 
1 1 1   21    3    1 o   23.650   0.1779   23.940   0.2789   23.360   0.2209 0.5773000 0.3558000 
1 1 1   21    3    2 o   17.730   0.1586   18.000   0.2496   17.460   0.1959 0.5418000 0.3173000 
1 1 1   21    3    3 f   16.660   0.1440   16.650   0.2044   16.680   0.2028 -0.2820000E-01 0.2879000 
1 1 1   21    3    4 o   17.030   0.1635   16.940   0.2136   17.120   0.2475 -0.1773000 0.3269000 
1 1 1   21    3    5 o   18.850   0.2305   18.970   0.2748   18.740   0.3701 0.2304000 0.4610000 
1 1 1   21    3    6 o   9.9720   0.2420   10.320   0.3381   9.6200   0.3463 0.7038000 0.4840000 
1 1 1   21    3    7 o   16.350   0.1675   16.490   0.2380   16.210   0.2356 0.2820000 0.3349000 
1 1 1   21    3    8 o   19.850   0.1736   19.820   0.2448   19.880   0.2462 -0.5796000E-01 0.3472000 
1 1 1   21    3    9 o   13.780   0.1945   13.680   0.2780   13.870   0.2721 -0.1878000 0.3890000 
1 1 1   21    3   10 o   11.300   0.2328   11.440   0.3284   11.160   0.3301 0.2750000 0.4656000 
1 1 1   21    3   11 o   27.310   0.2055   27.140   0.2912   27.480   0.2902 -0.3367000 0.4111000 
1 1 1   21    3   12 o   32.170   0.2263   32.120   0.3202   32.220   0.3197 -0.1019000 0.4525000 
1 1 1   21    3   13 o   6.6440   0.4321   6.5500   0.6063   6.7390   0.6158 -0.1898000 0.8642000 
1 1 1   21    3   14 o   6.6820   0.5805   7.5530   0.6033   5.8110   0.9919 1.742000 1.161000 
1 1 1   21    3   15 o   10.480   0.3098   10.220   0.4070   10.730   0.4671 -0.5106000 0.6195000 
1 1 1   21    3   16 o   10.340   0.3050   10.280   0.4014   10.410   0.4593 -0.1282000 0.6099000 
1 1 1   21    3   17 o   12.650   0.2692   13.030   0.3504   12.270   0.4089 0.7568000 0.5385000 
1 1 1   21    3   18 o   3.0800   0.8776   3.6320   1.2960   2.5290   1.1830 1.103000 1.755000 
1 1 1   21    3   19 o   11.140   0.3021   11.950   0.3724   10.340   0.4758 1.604000 0.6042000 
1 1 1   21    3   20 o   6.9020   0.4461   6.7570   0.6046   7.0470   0.6562 -0.2900000 0.8923000 
1 1 1   21    3   21 o   3.6410   0.7301   4.2570   0.9494   3.0250   1.1090 1.232000 1.460000 
1 1 1   21    3   22 o   6.1410   0.5124   6.3490   0.6549   5.9330   0.7883 0.4163000 1.025000 
1 1 1   21    3   23 o   2.0440   0.6578   1.9540   0.8950   2.1350   0.9643 -0.1805000 1.316000 
1 1 1   21    3   24 o   2.5630   0.7260   2.1440   0.9388   2.9810   1.1080 -0.8365000 1.452000 
1 1 1   21    3   25 o   2.9590   0.7746   2.5700   1.0580   3.3490   1.1320 -0.7788000 1.549000 
1 1 1   21    3   26 o   1.7680   0.6126   1.7500   0.8514   1.7860   0.8811 -0.3552000E-01 1.225000 
1 1 1   21    3   27 o   3.3760   0.7694   3.9410   1.0480   2.8100   1.1260 1.131000 1.539000 
1 1 1   21    3   28 o   2.0190   0.6628   1.7500   0.8378   2.2880   1.0270 -0.5382000 1.326000 
1 1 1   21    3   29 o   2.0630   0.6807   1.7530   0.8571   2.3730   1.0580 -0.6200000 1.361000 
1 1 1   21    3   30 o   2.0950   0.7369   2.4850   1.2030   1.7060   0.8520 0.7792000 1.474000 
1 1 1   21    5    0 o   26.460   0.1616   26.240   0.2421   26.680   0.2142 -0.4460000 0.3233000 
1 1 1   21    5    1 o   3.5640   0.3879   4.0110   0.4713   3.1160   0.6161 0.8956000 0.7757000 
1 1 1   21    5    2 f   10.760   0.1690   10.880   0.2257   10.650   0.2516 0.2253000 0.3380000 
1 1 1   21    5    3 o   30.990   0.2197   31.060   0.2816   30.930   0.3374 0.1327000 0.4395000 
1 1 1   21    5    4 o   39.050   0.2401   39.060   0.3397   39.030   0.3395 0.3592000E-01 0.4803000 
1 1 1   21    5    5 o   8.6880   0.2716   8.5980   0.3931   8.7770   0.3749 -0.1790000 0.5432000 
1 1 1   21    5    6 o   11.500   0.1922   11.480   0.2783   11.530   0.2653 -0.5277000E-01 0.3845000 
1 1 1   21    5    7 o   32.440   0.2145   32.400   0.3041   32.490   0.3027 -0.8919000E-01 0.4291000 
1 1 1   21    5    8 o   20.770   0.1809   20.750   0.2545   20.780   0.2573 -0.3172000E-01 0.3619000 
1 1 1   21    5    9 o   37.410   0.2419   37.110   0.3399   37.720   0.3442 -0.6101000 0.4837000 
1 1 1   21    5   10 o   18.480   0.1971   17.970   0.2786   19.000   0.2789 -1.023000 0.3942000 
1 1 1   21    5   11 o   15.870   0.2132   16.240   0.3004   15.500   0.3025 0.7366000 0.4263000 
1 1 1   21    5   12 o   12.380   0.2701   12.360   0.4054   12.410   0.3570 -0.5307000E-01 0.5402000 
1 1 1   21    5   13 o   8.7170   0.5268   8.6270   0.8328   8.8070   0.6453 -0.1805000 1.054000 
1 1 1   21    5   14 o   7.4830   0.4395   6.9350   0.6556   8.0320   0.5855 -1.096000 0.8790000 
1 1 1   21    5   15 o   4.3840   0.7038   3.4760   1.1180   5.2910   0.8549 -1.816000 1.408000 
1 1 1   21    5   16 o   15.730   0.2509   15.890   0.3565   15.570   0.3532 0.3159000 0.5018000 
1 1 1   21    5   17 o   10.110   0.3778   9.3920   0.5285   10.830   0.5401 -1.436000 0.7557000 
1 1 1   21    5   18 o   11.880   0.3510   11.590   0.4769   12.170   0.5151 -0.5814000 0.7020000 
1 1 1   21    5   19 o   7.1180   0.4362   6.4000   0.6426   7.8370   0.5900 -1.437000 0.8724000 
1 1 1   21    5   20 o   15.690   0.2404   15.720   0.3193   15.660   0.3596 0.5678000E-01 0.4809000 
1 1 1   21    5   21 o   4.6470   0.6662   4.1770   0.9739   5.1180   0.9094 -0.9405000 1.332000 
1 1 1   21    5   22 o   3.1950   0.7598   3.4630   1.0520   2.9260   1.0970 0.5373000 1.520000 
1 1 1   21    5   23 o   3.8390   0.7347   3.2680   1.0660   4.4100   1.0110 -1.142000 1.469000 
1 1 1   21    5   24 o   3.7390   0.7393   3.9590   0.9868   3.5200   1.1010 0.4395000 1.479000 
1 1 1   21    5   25 o   3.0980   0.8567   3.2410   1.2140   2.9550   1.2090 0.2860000 1.713000 
1 1 1   21    5   26 o   3.1280   0.7726   2.4870   1.0240   3.7680   1.1570 -1.281000 1.545000 
1 1 1   21    5   27 o   2.3270   0.7199   2.2090   0.9741   2.4450   1.0600 -0.2362000 1.440000 
1 1 1   21    5   28 o   2.4130   0.7058   3.0320   1.1110   1.7940   0.8706 1.238000 1.412000 
1 1 1   21    5   29 o   2.3260   0.7787   2.6480   1.1930   2.0050   1.0010 0.6437000 1.557000 
1 1 1   21    5   30 o   2.5070   0.7409   1.8780   0.8869   3.1360   1.1870 -1.257000 1.482000 
1 1 1   21    7    0 o   23.520   0.1584   23.860   0.2393   23.180   0.2077 0.6732000 0.3168000 
1 1 1   21    7    1 o   12.520   0.1548   12.460   0.2291   12.580   0.2082 -0.1241000 0.3096000 
1 1 1   21    7    2 o   41.340   0.2528   41.460   0.3585   41.220   0.3566 0.2359000 0.5057000 
1 1 1   21    7    3 o   37.740   0.4106   37.740   0.4106  ?   ?       ?      ? 
1 1 1   21    7    4 o   42.630   0.3220   42.700   0.4559   42.560   0.4549 0.1377000 0.6440000 
1 1 1   21    7    5 o   9.7790   0.2202   9.6510   0.3168   9.9070   0.3060 -0.2562000 0.4405000 
1 1 1   21    7    6 o   21.120   0.1785   21.470   0.2540   20.770   0.2510 0.7011000 0.3571000 
1 1 1   21    7    7 o   26.850   0.1972   26.870   0.2797   26.840   0.2780 0.3146000E-01 0.3944000 
1 1 1   21    7    8 o   10.890   0.2366   11.190   0.3326   10.600   0.3366 0.5847000 0.4732000 
1 1 1   21    7    9 f   26.940   0.2067   26.800   0.2951   27.090   0.2896 -0.2907000 0.4134000 
1 1 1   21    7   10 o   36.710   0.2450   36.670   0.3483   36.750   0.3445 -0.7870000E-01 0.4899000 
1 1 1   21    7   11 o   28.690   0.2391   28.510   0.3643   28.880   0.3098 -0.3724000 0.4782000 
1 1 1   21    7   12 o   14.730   0.4366  ?   ?    14.730   0.4366      ?      ? 
1 1 1   21    7   13 o   8.7830   0.4747   8.9350   0.6633   8.6300   0.6794 0.3050000 0.9495000 
1 1 1   21    7   14 o   12.200   0.2884   12.240   0.4054   12.150   0.4103 0.8906000E-01 0.5768000 
1 1 1   21    7   15 o   5.1060   0.6626   4.5470   1.0440   5.6640   0.8163 -1.117000 1.325000 
1 1 1   21    7   16 o   13.230   0.2806   13.550   0.3957   12.900   0.3980 0.6540000 0.5612000 
1 1 1   21    7   17 o   6.3390   0.8004   7.9500   0.7879   4.7280   1.3930 3.221000 1.601000 
1 1 1   21    7   18 o   8.1920   0.4161   8.0110   0.6102   8.3740   0.5658 -0.3630000 0.8322000 
1 1 1   21    7   19 o   12.580   0.2946   12.480   0.4267   12.670   0.4063 -0.1948000 0.5892000 
1 1 1   21    7   20 o   7.5870   0.4446   8.0740   0.6047   7.1000   0.6519 0.9749000 0.8892000 
1 1 1   21    7   21 o   8.8630   0.3651   8.9900   0.4853   8.7350   0.5455 0.2552000 0.7302000 
1 1 1   21    7   22 o   1.7650   0.5964   1.6540   0.7984   1.8760   0.8860 -0.2227000 1.193000 
1 1 1   21    7   23 o   2.4910   0.7242   2.1390   0.9430   2.8430   1.0990 -0.7045000 1.448000 
1 1 1   21    7   24 o   3.6380   0.7925   3.6520   1.1350   3.6250   1.1060 0.2737000E-01 1.585000 
1 1 1   21    7   25 o   3.1460   0.8716   3.1380   1.2120   3.1530   1.2530 -0.1493000E-01 1.743000 
1 1 1   21    7   26 o   3.5130   0.7021   4.6190   0.9392   2.4080   1.0440 2.211000 1.404000 
1 1 1   21    7   27 o   1.6830   0.5805   1.5550   0.7665   1.8110   0.8720 -0.2560000 1.161000 
1 1 1   21    7   28 o   3.9340   0.7670   4.6940   0.9874   3.1740   1.1740 1.520000 1.534000 
1 1 1   21    7   29 o   2.1550   0.7419   2.0740   1.0070   2.2350   1.0900 -0.1611000 1.484000 
1 1 1   21    9    0 o   26.820   0.2147   26.430   0.3289   27.200   0.2762 -0.7736000 0.4295000 
1 1 1   21    9    1 o   23.690   0.2057   23.310   0.3152   24.070   0.2644 -0.7531000 0.4114000 
1 1 1   21    9    2 o   37.390   0.2231   38.070   0.3406   36.710   0.2884 1.357000 0.4463000 
1 1 1   21    9    3 o   44.270   0.2725   44.810   0.3897   43.730   0.3809 1.082000 0.5450000 
1 1 1   21    9    4 o   6.9590   0.3098   6.5310   0.4688   7.3870   0.4052 -0.8558000 0.6197000 
1 1 1   21    9    5 o   6.0600   0.3729   6.0900   0.5215   6.0300   0.5333 0.5933000E-01 0.7459000 
1 1 1   21    9    6 o   22.980   0.1947   23.030   0.2725   22.940   0.2781 0.9327000E-01 0.3894000 
1 1 1   21    9    7 o   13.490   0.2217   13.500   0.3143   13.480   0.3128 0.2100000E-01 0.4434000 
1 1 1   21    9    8 o   39.330   0.2553   39.560   0.3625   39.110   0.3597 0.4568000 0.5107000 
1 1 1   21    9    9 f   11.350   0.2596   11.390   0.3689   11.320   0.3655 0.6816000E-01 0.5193000 
1 1 1   21    9   10 o   38.670   0.2833   38.710   0.4351   38.640   0.3628 0.6610000E-01 0.5665000 
1 1 1   21    9   11 o   23.900   0.2739   23.690   0.3884   24.120   0.3862 -0.4258000 0.5477000 
1 1 1   21    9   12 o   14.870   0.3203   14.820   0.4661   14.910   0.4395 -0.8681000E-01 0.6407000 
1 1 1   21    9   13 o   6.8760   0.4987   6.6460   0.7622   7.1060   0.6434 -0.4595000 0.9974000 
1 1 1   21    9   14 o   12.660   0.2975   12.600   0.4347   12.720   0.4061 -0.1204000 0.5949000 
1 1 1   21    9   15 o   31.130   0.2691   30.890   0.3478   31.370   0.4107 -0.4719000 0.5382000 
1 1 1   21    9   16 o   10.310   0.3882   10.210   0.5332   10.410   0.5643 -0.1996000 0.7764000 
1 1 1   21    9   17 o   23.790   0.2870   23.740   0.4182   23.840   0.3933 -0.9896000E-01 0.5741000 
1 1 1   21    9   18 o   12.650   0.2957   13.040   0.4238   12.260   0.4124 0.7883000 0.5913000 
1 1 1   21    9   19 o   11.220   0.3234   11.660   0.4562   10.770   0.4586 0.8928000 0.6469000 
1 1 1   21    9   20 o   5.4260   0.6176   5.6280   0.8523   5.2240   0.8941 0.4035000 1.235000 
1 1 1   21    9   21 o   3.8610   0.7653   4.5640   1.0430   3.1580   1.1200 1.406000 1.531000 
1 1 1   21    9   22 o   1.8970   0.6328   1.8460   0.8792   1.9480   0.9103 -0.1019000 1.266000 
1 1 1   21    9   23 o   2.9500   0.7802   2.7360   1.0910   3.1640   1.1160 -0.4276000 1.560000 
1 1 1   21    9   24 o   3.9990   0.8695   5.4520   1.3190   2.5450   1.1330 2.906000 1.739000 
1 1 1   21    9   25 o   2.6950   0.7414   2.0910   0.9352   3.2990   1.1510 -1.208000 1.483000 
1 1 1   21    9   26 f   2.1990   0.6934   2.3490   1.0050   2.0500   0.9554 0.2985000 1.387000 
1 1 1   21    9   27 o   2.0470   0.6696   2.0050   0.9262   2.0890   0.9672 -0.8392000E-01 1.339000 
1 1 1   21    9   28 o   2.5500   0.8384   2.3880   1.1140   2.7130   1.2530 -0.3255000 1.677000 
1 1 1   21    9   29 o   2.3090   0.7247   2.4610   1.0540   2.1560   0.9954 0.3040000 1.449000 
1 1 1   21   11    0 o   23.090   0.1783   22.820   0.2676   23.360   0.2358 -0.5427000 0.3567000 
1 1 1   21   11    1 o   32.630   0.2078   32.750   0.3136   32.510   0.2727 0.2326000 0.4156000 
1 1 1   21   11    2 o   7.0700   0.3172   6.9920   0.4765   7.1480   0.4188 -0.1564000 0.6344000 
1 1 1   21   11    3 o   41.650   0.2477   41.290   0.3712   42.010   0.3279 -0.7155000 0.4953000 
1 1 1   21   11    4 o   54.470   0.3304   54.490   0.4675   54.450   0.4670 0.4010000E-01 0.6608000 
1 1 1   21   11    5 o   20.550   0.3525   20.550   0.3525  ?   ?       ?      ? 
1 1 1   21   11    6 o   15.400   0.2306   15.470   0.3465   15.320   0.3044 0.1475000 0.4612000 
1 1 1   21   11    7 o   5.0860   0.5707   5.2660   0.8338   4.9050   0.7796 0.3604000 1.141000 
1 1 1   21   11    8 o   17.060   0.2371   16.770   0.3540   17.350   0.3156 -0.5762000 0.4742000 
1 1 1   21   11    9 o   8.9890   0.3489   9.4850   0.4744   8.4920   0.5116 0.9929000 0.6977000 
1 1 1   21   11   10 o   30.890   0.2914   30.600   0.4137   31.180   0.4104 -0.5769000 0.5828000 
1 1 1   21   11   11 o   3.1270   0.7834   3.4560   1.1390   2.7970   1.0760 0.6590000 1.567000 
1 1 1   21   11   12 o   18.860   0.2343   19.330   0.3351   18.390   0.3275 0.9338000 0.4686000 
1 1 1   21   11   13 o   18.830   0.2371   18.960   0.3402   18.700   0.3302 0.2676000 0.4741000 
1 1 1   21   11   14 o   16.260   0.2762   16.510   0.3652   16.020   0.4144 0.4932000 0.5523000 
1 1 1   21   11   15 o   4.7400   0.8533   4.8320   1.2580   4.6480   1.1530 0.1833000 1.707000 
1 1 1   21   11   16 o   18.650   0.3059   18.570   0.4587   18.730   0.4048 -0.1648000 0.6118000 
1 1 1   21   11   17 o   12.970   0.2958   12.990   0.4331   12.950   0.4031 0.4617000E-01 0.5917000 
1 1 1   21   11   18 o   13.810   0.2846   13.620   0.4215   14.000   0.3825 -0.3802000 0.5692000 
1 1 1   21   11   19 o   8.4060   0.4166   8.1740   0.6320   8.6380   0.5428 -0.4634000 0.8331000 
1 1 1   21   11   20 o   6.0570   0.5858   7.1960   0.6974   4.9180   0.9415 2.278000 1.172000 
1 1 1   21   11   21 o   4.0570   0.7751   4.1000   1.1290   4.0140   1.0620 0.8602000E-01 1.550000 
1 1 1   21   11   22 o   9.9610   0.3601   9.5560   0.5426   10.370   0.4735 -0.8111000 0.7202000 
1 1 1   21   11   23 o   2.9120   0.8081   3.3600   1.2250   2.4640   1.0540 0.8958000 1.616000 
1 1 1   21   11   24 o   8.0540   0.5736   7.4500   0.8738   8.6580   0.7434 -1.208000 1.147000 
1 1 1   21   11   25 o   3.9810   0.8191   4.1520   1.1470   3.8090   1.1700 0.3432000 1.638000 
1 1 1   21   11   26 o   5.2630   0.6947   5.4240   0.9599   5.1020   1.0040 0.3220000 1.389000 
1 1 1   21   11   27 o   2.1450   0.7111   2.1050   0.9799   2.1850   1.0310 -0.8088000E-01 1.422000 
1 1 1   21   11   28 o   2.7460   0.8234   2.9350   1.1920   2.5560   1.1370 0.3785000 1.647000 
1 1 1   21   13    0 o   26.990   0.1827   27.040   0.2597   26.940   0.2569 0.1040000 0.3653000 
1 1 1   21   13    1 o   10.430   0.2533   10.670   0.3730   10.180   0.3426 0.4854000 0.5065000 
1 1 1   21   13    2 o   9.2020   0.2836   8.8720   0.4273   9.5310   0.3728 -0.6596000 0.5671000 
1 1 1   21   13    3 o   20.180   0.2219   20.210   0.3337   20.150   0.2926 0.5124000E-01 0.4438000 
1 1 1   21   13    4 o   10.860   0.2971   10.510   0.4525   11.200   0.3853 -0.6944000 0.5943000 
1 1 1   21   13    5 o   18.990   0.2349   18.870   0.3531   19.120   0.3099 -0.2449000 0.4697000 
1 1 1   21   13    6 o   15.130   0.2417   15.050   0.3396   15.210   0.3439 -0.1584000 0.4833000 
1 1 1   21   13    7 f   5.6250   0.5657   5.9850   0.7267   5.2660   0.8671 0.7187000 1.131000 
1 1 1   21   13    8 o   37.450   0.4551   37.450   0.4551  ?   ?       ?      ? 
1 1 1   21   13    9 o   13.560   0.3170   13.540   0.4944   13.570   0.3967 -0.3938000E-01 0.6339000 
1 1 1   21   13   10 o   18.840   0.2396   18.830   0.3412   18.860   0.3366 -0.2394000E-01 0.4792000 
1 1 1   21   13   11 o   22.760   0.2295   22.780   0.3293   22.740   0.3198 0.3892000E-01 0.4591000 
1 1 1   21   13   12 o   3.0250   0.8105   2.6590   1.0910   3.3910   1.1990 -0.7320000 1.621000 
1 1 1   21   13   13 o   11.450   0.3189   11.300   0.4669   11.600   0.4345 -0.3037000 0.6378000 
1 1 1   21   13   14 o   12.100   0.3822   12.560   0.5513   11.640   0.5295 0.9217000 0.7644000 
1 1 1   21   13   15 o   6.6560   0.5028   6.9910   0.7031   6.3210   0.7189 0.6704000 1.006000 
1 1 1   21   13   16 o   2.7810   0.7573   3.3190   1.1510   2.2430   0.9842 1.076000 1.515000 
1 1 1   21   13   17 o   8.3110   0.4079   8.5920   0.5834   8.0290   0.5702 0.5629000 0.8158000 
1 1 1   21   13   18 o   4.8000   0.6989   4.6990   1.0440   4.9000   0.9290 -0.2009000 1.398000 
1 1 1   21   13   19 o   8.9920   0.3895   8.7190   0.5911   9.2660   0.5074 -0.5470000 0.7790000 
1 1 1   21   13   20 o   2.6550   0.7646   2.7410   1.1100   2.5690   1.0510 0.1721000 1.529000 
1 1 1   21   13   21 o   2.6410   0.7664   2.7970   1.1250   2.4850   1.0410 0.3115000 1.533000 
1 1 1   21   13   22 f   3.6830   0.8258   3.4640   1.2150   3.9030   1.1190 -0.4390000 1.652000 
1 1 1   21   13   23 o   2.9460   0.8751   2.9310   1.2380   2.9600   1.2370 -0.2883000E-01 1.750000 
1 1 1   21   13   24 o   2.5480   0.7409   1.9520   0.9265   3.1450   1.1570 -1.193000 1.482000 
1 1 1   21   13   25 o   2.2130   0.7103   2.1260   0.9843   2.3000   1.0240 -0.1740000 1.421000 
1 1 1   21   13   26 o   1.8310   0.6312   1.7830   0.8670   1.8800   0.9176 -0.9629000E-01 1.262000 
1 1 1   21   13   27 o   2.5750   0.8074   2.1860   1.0540   2.9650   1.2240 -0.7791000 1.615000 
1 1 1   21   15    0 o   32.350   0.2519   33.070   0.4128   31.630   0.2889 1.437000 0.5038000 
1 1 1   21   15    1 o   18.830   0.2363   19.500   0.3802   18.160   0.2806 1.340000 0.4725000 
1 1 1   21   15    2 o   27.010   0.2102   27.170   0.3183   26.840   0.2745 0.3291000 0.4204000 
1 1 1   21   15    3 o   36.860   0.2392   36.720   0.3608   37.000   0.3140 -0.2799000 0.4783000 
1 1 1   21   15    4 o   9.7060   0.3169   10.150   0.4648   9.2640   0.4310 0.8842000 0.6338000 
1 1 1   21   15    5 o   21.620   0.2922   21.930   0.4008   21.300   0.4253 0.6331000 0.5844000 
1 1 1   21   15    6 o   8.7840   0.5996  ?   ?    8.7840   0.5996      ?      ? 
1 1 1   21   15    7 o   38.820   0.2681   38.800   0.3791   38.840   0.3793 -0.3992000E-01 0.5362000 
1 1 1   21   15    8 o   29.150   0.2380   29.260   0.3385   29.040   0.3347 0.2176000 0.4760000 
1 1 1   21   15    9 o   26.280   0.2538   26.630   0.3329   25.920   0.3833 0.7129000 0.5077000 
1 1 1   21   15   10 o   8.9480   0.4085   9.2890   0.5323   8.6070   0.6197 0.6812000 0.8170000 
1 1 1   21   15   11 o   10.270   0.3484   10.490   0.4918   10.060   0.4937 0.4292000 0.6969000 
1 1 1   21   15   12 o   9.4590   0.4829   9.1090   0.7235   9.8090   0.6397 -0.7005000 0.9658000 
1 1 1   21   15   13 o   9.6900   0.4550   10.180   0.6600   9.2030   0.6266 0.9730000 0.9101000 
1 1 1   21   15   14 o   3.1650   0.7341   4.1840   1.1090   2.1470   0.9617 2.037000 1.468000 
1 1 1   21   15   15 o   2.7860   0.6998   1.8330   0.8788   3.7380   1.0890 -1.905000 1.400000 
1 1 1   21   15   16 o   6.4210   0.5406   5.6760   0.8723   7.1670   0.6389 -1.491000 1.081000 
1 1 1   21   15   17 o   3.6970   0.7634   4.4800   1.0670   2.9130   1.0920 1.567000 1.527000 
1 1 1   21   15   18 o   7.2030   0.4711   7.5360   0.6653   6.8690   0.6670 0.6677000 0.9421000 
1 1 1   21   15   19 o   3.0680   0.8027   3.3370   1.1760   2.8000   1.0920 0.5369000 1.605000 
1 1 1   21   15   20 o   6.9470   0.5270   7.0960   0.8088   6.7980   0.6757 0.2976000 1.054000 
1 1 1   21   15   21 f   4.0120   0.9222   3.8820   1.3160   4.1420   1.2920 -0.2597000 1.844000 
1 1 1   21   15   22 f   6.5410   0.6447   5.6790   1.1030   7.4020   0.6681 -1.723000 1.289000 
1 1 1   21   15   23 o   3.9540   0.7850   4.6670   1.0710   3.2410   1.1480 1.425000 1.570000 
1 1 1   21   15   24 o   4.2070   0.8041   3.8380   1.1830   4.5750   1.0890 -0.7374000 1.608000 
1 1 1   21   15   25 f   2.2620   0.7314   1.7950   0.8743   2.7290   1.1730 -0.9348000 1.463000 
1 1 1   21   15   26 o   1.8800   0.6591   2.1580   1.0440   1.6020   0.8046 0.5559000 1.318000 
1 1 1   21   17    0 o   26.100   0.2645   26.020   0.4132   26.190   0.3303 -0.1650000 0.5290000 
1 1 1   21   17    1 o   13.410   0.4398   13.460   0.7787   13.360   0.4092 0.1043000 0.8797000 
1 1 1   21   17    2 o   12.670   0.5104   11.970   0.8918   13.370   0.4967 -1.394000 1.021000 
1 1 1   21   17    3 o   12.990   0.2624   13.160   0.3933   12.810   0.3474 0.3493000 0.5247000 
1 1 1   21   17    4 o   7.9790   0.3885   8.1160   0.5759   7.8430   0.5216 0.2729000 0.7770000 
1 1 1   21   17    5 o   19.820   0.2337   19.840   0.3343   19.810   0.3266 0.2972000E-01 0.4674000 
1 1 1   21   17    6 o   11.330   0.3169   11.900   0.4422   10.750   0.4542 1.145000 0.6339000 
1 1 1   21   17    7 o   16.430   0.2510   16.520   0.3598   16.340   0.3500 0.1798000 0.5020000 
1 1 1   21   17    8 o   9.1650   0.3583   8.8240   0.5496   9.5060   0.4598 -0.6826000 0.7166000 
1 1 1   21   17    9 o   2.5060   0.7391   2.8150   1.1000   2.1970   0.9871 0.6182000 1.478000 
1 1 1   21   17   10 o   8.7850   0.4923   9.0370   0.7201   8.5320   0.6713 0.5048000 0.9845000 
1 1 1   21   17   11 o   8.4080   0.4219   8.3790   0.5998   8.4370   0.5936 -0.5803000E-01 0.8439000 
1 1 1   21   17   12 o   11.250   0.3316   11.200   0.4720   11.310   0.4660 -0.1069000 0.6633000 
1 1 1   21   17   13 o   3.0660   0.7858   2.5830   1.0760   3.5490   1.1460 -0.9659000 1.572000 
1 1 1   21   17   14 o   9.6620   0.3696   9.8380   0.5232   9.4860   0.5224 0.3516000 0.7393000 
1 1 1   21   17   15 o   11.360   0.3272   11.680   0.4674   11.030   0.4581 0.6528000 0.6545000 
1 1 1   21   17   16 o   4.3620   0.7066   3.1500   1.1500   5.5740   0.8209 -2.424000 1.413000 
1 1 1   21   17   17 o   3.5300   0.8062   3.5440   1.1700   3.5160   1.1090 0.2853000E-01 1.612000 
1 1 1   21   17   18 o   3.2480   0.8311   3.7350   1.2580   2.7610   1.0860 0.9733000 1.662000 
1 1 1   21   17   19 f   4.0040   0.8317   3.8650   1.2700   4.1430   1.0740 -0.2773000 1.663000 
1 1 1   21   17   20 o   4.1280   0.7541   5.8800   1.0410   2.3760   1.0910 3.504000 1.508000 
1 1 1   21   17   21 o   2.2460   0.7059   2.6260   1.1000   1.8650   0.8845 0.7611000 1.412000 
1 1 1   21   17   22 o   2.6450   0.7580   2.1820   0.9996   3.1070   1.1400 -0.9251000 1.516000 
1 1 1   21   17   23 o   2.2720   0.7157   2.0410   0.9539   2.5020   1.0670 -0.4605000 1.431000 
1 1 1   21   17   24 f   2.8180   0.8240   2.4540   1.0770   3.1820   1.2480 -0.7278000 1.648000 
1 1 1   21   17   25 o   2.3500   0.7964   2.2410   1.0750   2.4580   1.1760 -0.2179000 1.593000 
1 1 1   21   19    0 o   5.1930   0.6499   5.9330   0.7871   4.4530   1.0340 1.480000 1.300000 
1 1 1   21   19    1 o   9.8830   0.3130   9.8380   0.4511   9.9280   0.4340 -0.8950000E-01 0.6260000 
1 1 1   21   19    2 o   19.420   0.2771   18.500   0.4719   20.330   0.2905 -1.829000 0.5542000 
1 1 1   21   19    3 o   11.680   0.4988   11.470   0.9208   11.890   0.3835 -0.4217000 0.9975000 
1 1 1   21   19    4 o   16.740   0.3953   16.620   0.7261   16.870   0.3127 -0.2436000 0.7906000 
1 1 1   21   19    5 o   11.770   0.3515   11.260   0.5892   12.270   0.3835 -1.005000 0.7031000 
1 1 1   21   19    6 o   16.540   0.3027   16.290   0.4713   16.780   0.3801 -0.4841000 0.6055000 
1 1 1   21   19    7 o   5.1150   0.7872   4.7510   1.2810   5.4780   0.9148 -0.7274000 1.574000 
1 1 1   21   19    8 o   4.8790   0.6744   4.4990   1.0870   5.2590   0.7986 -0.7603000 1.349000 
1 1 1   21   19    9 o   15.320   0.2561   15.020   0.3945   15.630   0.3267 -0.6132000 0.5123000 
1 1 1   21   19   10 o   4.5040   0.7431   4.8110   1.0160   4.1960   1.0840 0.6149000 1.486000 
1 1 1   21   19   11 o   7.9450   0.4572   8.8130   0.5757   7.0780   0.7104 1.735000 0.9144000 
1 1 1   21   19   12 o   10.710   0.3522   10.830   0.4902   10.600   0.5057 0.2346000 0.7043000 
1 1 1   21   19   13 o   12.300   0.3170   12.510   0.4367   12.100   0.4595 0.4035000 0.6339000 
1 1 1   21   19   14 o   3.0390   0.8000   3.1470   1.1480   2.9300   1.1150 0.2174000 1.600000 
1 1 1   21   19   15 o   5.5930   0.6281   6.1010   0.8184   5.0850   0.9530 1.016000 1.256000 
1 1 1   21   19   16 o   2.1120   0.6885   1.9940   0.9559   2.2310   0.9911 -0.2367000 1.377000 
1 1 1   21   19   17 o   2.4960   0.7626   3.0750   1.2320   1.9170   0.8998 1.158000 1.525000 
1 1 1   21   19   18 o   4.4410   0.8945   5.1980   1.2010   3.6840   1.3260 1.514000 1.789000 
1 1 1   21   19   19 o   3.2910   0.7294   2.1970   1.0090   4.3850   1.0540 -2.188000 1.459000 
1 1 1   21   19   20 o   3.6640   0.8192   3.2930   1.1780   4.0350   1.1380 -0.7414000 1.638000 
1 1 1   21   19   21 o   5.0290   0.7246   4.8530   1.0760   5.2050   0.9707 -0.3522000 1.449000 
1 1 1   21   19   22 o   4.5450   0.8098   5.1340   1.0150   3.9560   1.2620 1.178000 1.620000 
1 1 1   21   19   23 o   1.7730   0.6253   1.8880   0.9362   1.6580   0.8291 0.2305000 1.251000 
1 1 1   21   21    0 o   5.4290   0.6482   4.6730   1.0260   6.1860   0.7923 -1.513000 1.296000 
1 1 1   21   21    1 o   16.180   0.2680   16.390   0.3754   15.960   0.3826 0.4341000 0.5360000 
1 1 1   21   21    2 o   5.2870   0.7626   6.3490   1.0530   4.2250   1.1030 2.124000 1.525000 
1 1 1   21   21    3 o   6.3430   0.6244   6.7950   0.9349   5.8920   0.8280 0.9033000 1.249000 
1 1 1   21   21    4 o   5.2920   0.5997   5.3350   0.9161   5.2490   0.7742 0.8605000E-01 1.199000 
1 1 1   21   21    5 o   9.5650   0.4396   8.8540   0.7699   10.280   0.4248 -1.423000 0.8793000 
1 1 1   21   21    6 o   3.9170   0.8556   3.3120   1.4450   4.5220   0.9169 -1.210000 1.711000 
1 1 1   21   21    7 o   5.7370   0.8682   4.7140   1.6290   6.7610   0.6002 -2.047000 1.736000 
1 1 1   21   21    8 o   10.050   0.3877   10.320   0.6419   9.7760   0.4348 0.5478000 0.7753000 
1 1 1   21   21    9 o   2.3050   0.7074   2.6510   1.0980   1.9590   0.8923 0.6922000 1.415000 
1 1 1   21   21   10 o   8.1020   0.4057   8.4390   0.6003   7.7650   0.5458 0.6735000 0.8113000 
1 1 1   21   21   11 o   2.2620   0.6707   3.1210   1.1450   1.4020   0.6981 1.719000 1.341000 
1 1 1   21   21   12 o   7.6380   0.4628   7.4050   0.6862   7.8700   0.6213 -0.4650000 0.9257000 
1 1 1   21   21   13 o   7.0060   0.5525   6.9000   0.8463   7.1130   0.7106 -0.2137000 1.105000 
1 1 1   21   21   14 o   4.4000   0.8278   4.7310   1.2020   4.0700   1.1380 0.6605000 1.656000 
1 1 1   21   21   15 o   5.4980   0.6801   5.4220   0.9961   5.5750   0.9263 -0.1535000 1.360000 
1 1 1   21   21   16 o   6.3430   0.7721   6.2690   1.0680   6.4180   1.1160 -0.1490000 1.544000 
1 1 1   21   21   17 o   5.8320   0.6508   5.2360   1.0490   6.4290   0.7699 -1.193000 1.302000 
1 1 1   21   21   18 o   3.4330   0.8272   3.0300   1.1780   3.8370   1.1620 -0.8068000 1.654000 
1 1 1   21   21   19 o   3.2130   0.7928   2.5090   1.0880   3.9160   1.1540 -1.407000 1.586000 
1 1 1   21   21   20 o   3.8750   0.8639   4.1970   1.1770   3.5520   1.2650 0.6456000 1.728000 
1 1 1   21   21   21 f   2.6950   0.8311   3.3560   1.3460   2.0340   0.9755 1.322000 1.662000 
1 1 1   21   23    0 o   6.3870   0.4625   5.6710   0.7113   7.1040   0.5913 -1.433000 0.9250000 
1 1 1   21   23    1 o   14.230   0.2471   14.120   0.3549   14.350   0.3439 -0.2320000 0.4942000 
1 1 1   21   23    2 o   3.0810   0.7739   2.8550   1.1260   3.3060   1.0620 -0.4512000 1.548000 
1 1 1   21   23    3 o   3.1040   0.7712   3.5890   1.1490   2.6190   1.0290 0.9700000 1.542000 
1 1 1   21   23    4 o   9.2230   0.3522   9.3470   0.5328   9.0980   0.4610 0.2489000 0.7045000 
1 1 1   21   23    5 o   16.590   0.2469   16.920   0.3711   16.250   0.3259 0.6697000 0.4939000 
1 1 1   21   23    6 o   5.1420   0.6284   5.2700   0.9408   5.0150   0.8332 0.2541000 1.257000 
1 1 1   21   23    7 o   3.2820   0.7471   4.1290   1.1080   2.4350   1.0020 1.694000 1.494000 
1 1 1   21   23    8 o   7.5140   0.4512   7.1230   0.7211   7.9040   0.5424 -0.7812000 0.9023000 
1 1 1   21   23    9 o   7.4440   0.6347  ?   ?    7.4440   0.6347      ?      ? 
1 1 1   21   23   10 o   5.7750   0.8172  ?   ?    5.7750   0.8172      ?      ? 
1 1 1   21   23   11 o   3.1460   1.0820  ?   ?    3.1460   1.0820      ?      ? 
1 1 1   21   23   12 o   2.8830   0.7799   3.3260   1.1840   2.4400   1.0160 0.8858000 1.560000 
1 1 1   21   23   13 o   2.4920   0.7820   2.4980   1.1240   2.4860   1.0880 0.1179000E-01 1.564000 
1 1 1   21   23   14 o   2.9120   0.8856   2.7570   1.1970   3.0670   1.3060 -0.3096000 1.771000 
1 1 1   21   23   15 o   2.7100   0.7935   2.9420   1.1720   2.4790   1.0700 0.4631000 1.587000 
1 1 1   21   23   16 o   4.3170   0.7922   5.2610   1.0280   3.3720   1.2050 1.889000 1.584000 
1 1 1   21   23   17 o   4.4930   0.8625   3.6850   1.2290   5.3010   1.2110 -1.616000 1.725000 
1 1 1   21   23   18 o   2.2800   0.7237   2.8050   1.1550   1.7550   0.8719 1.050000 1.447000 
1 1 1   21   23   19 o   2.3950   0.7880   2.7860   1.2380   2.0040   0.9753 0.7819000 1.576000 
1 1 1   21   25    0 o   10.620   0.2982   10.570   0.4225   10.670   0.4208 -0.1088000 0.5963000 
1 1 1   21   25    1 o   7.9450   0.4390   7.8870   0.6209   8.0030   0.6209 -0.1154000 0.8781000 
1 1 1   21   25    2 o   3.1610   0.8210   2.7700   1.1840   3.5520   1.1370 -0.7820000 1.642000 
1 1 1   21   25    3 o   4.4600   0.8206   5.0420   1.2040   3.8770   1.1160 1.165000 1.641000 
1 1 1   21   25    4 o   3.8560   0.7666   2.8980   1.1850   4.8150   0.9732 -1.918000 1.533000 
1 1 1   21   25    5 o   2.7150   0.7282   1.9130   0.9223   3.5180   1.1270 -1.605000 1.456000 
1 1 1   21   25    6 o   5.6500   0.5800   5.7140   0.8915   5.5860   0.7423 0.1282000 1.160000 
1 1 1   21   25    7 o   5.2440   0.6483   4.5720   1.0820   5.9160   0.7137 -1.345000 1.297000 
1 1 1   21   25    8 o   2.5670   0.7507   2.7840   1.1250   2.3500   0.9944 0.4341000 1.501000 
1 1 1   21   25    9 o   3.3720   0.7953   3.2070   1.1700   3.5370   1.0780 -0.3297000 1.591000 
1 1 1   21   25   10 o   3.0660   0.8464   3.5670   1.2870   2.5660   1.1000 1.000000 1.693000 
1 1 1   21   25   11 o   3.6330   0.8672   3.2310   1.2660   4.0350   1.1860 -0.8045000 1.734000 
1 1 1   21   25   12 o   3.9410   0.8577   3.1200   1.4350   4.7630   0.9402 -1.644000 1.715000 
1 1 1   21   25   13 o   2.9060   0.8557   2.6990   1.2990   3.1120   1.1140 -0.4136000 1.711000 
1 1 1   21   25   14 o   4.7590   0.9605   4.1780   1.6570   5.3400   0.9721 -1.162000 1.921000 
1 1 1   21   25   15 o   3.7190   0.9025   3.9780   1.3600   3.4600   1.1870 0.5176000 1.805000 
1 1 1   21   25   16 o   2.9120   0.8034   2.8540   1.1610   2.9710   1.1110 -0.1169000 1.607000 
1 1 1   21   27    0 o   5.1890   0.5920   4.9990   0.8835   5.3790   0.7882 -0.3801000 1.184000 
1 1 1   21   27    1 o   4.3620   0.6974   4.0670   1.0570   4.6580   0.9105 -0.5909000 1.395000 
1 1 1   21   27    2 o   2.7980   0.7851   3.0790   1.1840   2.5170   1.0320 0.5620000 1.570000 
1 1 1   21   27    3 f   6.5000   0.6279   4.6170   1.1390   8.3830   0.5280 -3.766000 1.256000 
1 1 1   21   27    4 o   7.7880   0.4870   8.1370   0.6651   7.4380   0.7116 0.6989000 0.9740000 
1 1 1   21   27    5 o   2.8790   0.8414   3.1150   1.2720   2.6430   1.1010 0.4716000 1.683000 
1 1 1   21   27    6 o   3.0170   0.8448   3.0450   1.2480   2.9880   1.1390 0.5750000E-01 1.690000 
1 1 1   21   27    7 o   2.4300   0.7367   2.4910   1.0830   2.3690   0.9989 0.1216000 1.473000 
1 1 1   21   27    8 o   2.8030   0.7842   3.1550   1.1810   2.4510   1.0310 0.7038000 1.568000 
1 1 1   21   27    9 o   3.1850   0.7490   2.0170   0.9893   4.3520   1.1250 -2.335000 1.498000 
1 1 1   21   27   10 o   5.1730   0.7293   4.3570   1.1760   5.9890   0.8631 -1.632000 1.459000 
1 1 1   21   27   11 o   2.0010   0.6646   1.7390   0.8532   2.2640   1.0190 -0.5251000 1.329000 
1 1 1   21   27   12 o   2.7220   0.7744   3.1430   1.1810   2.3000   1.0020 0.8433000 1.549000 
1 1 1   21   29    0 o   2.6800   0.7825   2.5170   1.0790   2.8440   1.1340 -0.3269000 1.565000 
1 1 1   21   29    1 o   1.8120   0.6148   1.4650   0.7390   2.1600   0.9828 -0.6941000 1.230000 
1 1 1   21   29    2 o   3.3450   0.8338   3.1510   1.2010   3.5400   1.1570 -0.3888000 1.668000 
1 1 1   21   29    3 o   1.9580   0.6405   1.3780   0.7002   2.5380   1.0730 -1.159000 1.281000 
1 1 1   21   29    4 o   2.3090   0.7211   2.0930   0.9729   2.5260   1.0650 -0.4326000 1.442000 
1 1 1   21   29    5 o   1.8880   0.6312   1.9480   0.9241   1.8280   0.8602 0.1201000 1.262000 
1 1 1   21   29    6 o   1.7680   0.6032   2.0590   0.9586   1.4770   0.7324 0.5815000 1.206000 
1 1 1   21   29    7 o   2.8700   0.8685   2.7410   1.2010   2.9990   1.2550 -0.2574000 1.737000 
1 1 1   22    0    0 o   10.360   0.3117   10.360   0.3117   10.360   0.3117 0.000000 0.000000 
1 1 1   22    0    1 o   10.850   0.2434   10.850   0.2434   10.850   0.2434 0.000000 0.000000 
1 1 1   22    0    2 o   23.490   0.2221   23.490   0.2221   23.490   0.2221 0.000000 0.000000 
1 1 1   22    0    3 o   13.410   0.2011   13.410   0.2011   13.410   0.2011 0.000000 0.000000 
1 1 1   22    0    4 o   16.750   0.2090   16.750   0.2090   16.750   0.2090 0.000000 0.000000 
1 1 1   22    0    5 o   16.530   0.3985   16.530   0.3985   16.530   0.3985 0.000000 0.000000 
1 1 1   22    0    6 o   9.3870   0.2878   9.3870   0.2878   9.3870   0.2878 0.000000 0.000000 
1 1 1   22    0    7 o   20.090   0.2399   20.090   0.2399   20.090   0.2399 0.000000 0.000000 
1 1 1   22    0    8 o   7.8050   0.3818   7.8050   0.3818   7.8050   0.3818 0.000000 0.000000 
1 1 1   22    0    9 o   3.7060   0.9364   3.7060   0.9364   3.7060   0.9364 0.000000 0.000000 
1 1 1   22    0   10 o   9.8850   0.3621   9.8850   0.3621   9.8850   0.3621 0.000000 0.000000 
1 1 1   22    0   11 o   23.540   0.2777   23.540   0.2777   23.540   0.2777 0.000000 0.000000 
1 1 1   22    0   12 o   8.2270   0.4917   8.2270   0.4917   8.2270   0.4917 0.000000 0.000000 
1 1 1   22    0   13 o   42.240   0.4666   42.240   0.4666   42.240   0.4666 0.000000 0.000000 
1 1 1   22    0   14 o   44.090   0.4875   44.090   0.4875   44.090   0.4875 0.000000 0.000000 
1 1 1   22    0   15 o   21.950   0.3166   21.950   0.3166   21.950   0.3166 0.000000 0.000000 
1 1 1   22    0   16 o   19.250   0.3255   19.250   0.3255   19.250   0.3255 0.000000 0.000000 
1 1 1   22    0   17 o   23.800   0.3188   23.800   0.3188   23.800   0.3188 0.000000 0.000000 
1 1 1   22    0   18 o   4.7410   1.8030   4.7410   1.8030   4.7410   1.8030 0.000000 0.000000 
1 1 1   22    0   19 o   10.880   0.4651   10.880   0.4651   10.880   0.4651 0.000000 0.000000 
1 1 1   22    0   20 o   2.7650   1.3580   2.7650   1.3580   2.7650   1.3580 0.000000 0.000000 
1 1 1   22    0   21 o   4.8860   1.0740   4.8860   1.0740   4.8860   1.0740 0.000000 0.000000 
1 1 1   22    0   22 o   1.9270   1.1900   1.9270   1.1900   1.9270   1.1900 0.000000 0.000000 
1 1 1   22    0   23 o   2.8020   1.3930   2.8020   1.3930   2.8020   1.3930 0.000000 0.000000 
1 1 1   22    0   24 o   1.0380   0.7552   1.0380   0.7552   1.0380   0.7552 0.000000 0.000000 
1 1 1   22    0   25 o   5.0350   1.0540   5.0350   1.0540   5.0350   1.0540 0.000000 0.000000 
1 1 1   22    0   26 o   3.6730   1.5660   3.6730   1.5660   3.6730   1.5660 0.000000 0.000000 
1 1 1   22    0   27 o   2.0320   1.2510   2.0320   1.2510   2.0320   1.2510 0.000000 0.000000 
1 1 1   22    0   28 o   2.4830   1.3730   2.4830   1.3730   2.4830   1.3730 0.000000 0.000000 
1 1 1   22    0   29 o   1.5710   1.0650   1.5710   1.0650   1.5710   1.0650 0.000000 0.000000 
1 1 1   22    0   30 o   2.2130   1.3710   2.2130   1.3710   2.2130   1.3710 0.000000 0.000000 
1 1 1   22    2    0 o   46.000   0.4683   46.000   0.4683  ?   ?       ?      ? 
1 1 1   22    2    1 o   5.7440   0.2604   5.0880   0.4030   6.4000   0.3299 -1.312000 0.5208000 
1 1 1   22    2    2 o   13.160   0.1597   13.020   0.2559   13.310   0.1913 -0.2829000 0.3195000 
1 1 1   22    2    3 o   16.620   0.1431   16.680   0.2040   16.550   0.2008 0.1314000 0.2862000 
1 1 1   22    2    4 o   23.440   0.1650   23.780   0.2343   23.090   0.2325 0.6936000 0.3301000 
1 1 1   22    2    5 o   17.210   0.2298   17.670   0.2744   16.740   0.3687 0.9316000 0.4597000 
1 1 1   22    2    6 o   16.610   0.2010   16.450   0.2866   16.770   0.2819 -0.3190000 0.4020000 
1 1 1   22    2    7 o   30.800   0.2042   31.290   0.2928   30.310   0.2846 0.9827000 0.4084000 
1 1 1   22    2    8 f   13.140   0.1911   12.840   0.2768   13.440   0.2637 -0.5987000 0.3823000 
1 1 1   22    2    9 o   25.400   0.1917   25.220   0.2702   25.580   0.2720 -0.3559000 0.3834000 
1 1 1   22    2   10 o   7.3630   0.3064   7.0900   0.4154   7.6370   0.4505 -0.5475000 0.6128000 
1 1 1   22    2   11 o   37.630   0.2293   37.670   0.3007   37.580   0.3463 0.8865000E-01 0.4586000 
1 1 1   22    2   12 o   30.060   0.2058   30.200   0.2695   29.910   0.3110 0.2863000 0.4115000 
1 1 1   22    2   13 o   27.370   0.2405   27.140   0.3009   27.590   0.3752 -0.4474000 0.4809000 
1 1 1   22    2   14 f   22.290   0.2470   22.220   0.3163   22.350   0.3794 -0.1233000 0.4939000 
1 1 1   22    2   15 o   22.800   0.2097   22.680   0.2738   22.920   0.3176 -0.2471000 0.4194000 
1 1 1   22    2   16 o   9.4720   0.3359   8.7770   0.4598   10.170   0.4899 -1.390000 0.6719000 
1 1 1   22    2   17 o   7.3140   0.4240   6.7500   0.6067   7.8780   0.5926 -1.128000 0.8481000 
1 1 1   22    2   18 o   3.4640   0.9485   3.4270   1.2650   3.5020   1.4140 -0.7465000E-01 1.897000 
1 1 1   22    2   19 o   8.4540   0.3734   8.8080   0.4744   8.1000   0.5766 0.7079000 0.7467000 
1 1 1   22    2   20 o   6.5150   0.4755   6.1490   0.6737   6.8800   0.6711 -0.7318000 0.9509000 
1 1 1   22    2   21 o   2.1790   0.6781   2.2710   0.9689   2.0870   0.9489 0.1831000 1.356000 
1 1 1   22    2   22 o   2.7400   0.7468   2.4560   1.0040   3.0240   1.1050 -0.5677000 1.494000 
1 1 1   22    2   23 o   4.4040   0.7120   3.1500   1.1340   5.6570   0.8611 -2.507000 1.424000 
1 1 1   22    2   24 o   6.0090   0.5571   6.6830   0.6807   5.3360   0.8822 1.347000 1.114000 
1 1 1   22    2   25 o   2.6490   0.7749   2.4030   1.0770   2.8950   1.1150 -0.4918000 1.550000 
1 1 1   22    2   26 o   3.7390   0.8700   3.7020   1.1630   3.7750   1.2940 -0.7356000E-01 1.740000 
1 1 1   22    2   27 o   2.8880   0.8061   2.6670   1.1120   3.1100   1.1680 -0.4425000 1.612000 
1 1 1   22    2   28 o   2.5270   0.7599   2.2850   1.0240   2.7690   1.1230 -0.4837000 1.520000 
1 1 1   22    2   29 o   2.1590   0.7274   1.9420   0.9477   2.3760   1.1040 -0.4339000 1.455000 
1 1 1   22    2   30 o   2.4850   0.7459   3.1900   1.2020   1.7800   0.8833 1.409000 1.492000 
1 1 1   22    4    0 o   11.910   0.1724   11.840   0.2397   11.980   0.2479 -0.1409000 0.3448000 
1 1 1   22    4    1 o   6.1450   0.2087   5.4750   0.3193   6.8160   0.2690 -1.341000 0.4175000 
1 1 1   22    4    2 o   32.560   0.2033   32.560   0.2874   32.570   0.2876 -0.2804000E-02 0.4066000 
1 1 1   22    4    3 o   5.7730   0.2686   5.5380   0.3743   6.0080   0.3854 -0.4696000 0.5372000 
1 1 1   22    4    4 o   15.890   0.1673   16.140   0.2230   15.650   0.2494 0.4877000 0.3345000 
1 1 1   22    4    5 o   14.470   0.2075   14.970   0.2966   13.960   0.2902 1.007000 0.4150000 
1 1 1   22    4    6 o   30.920   0.2035   31.390   0.2916   30.450   0.2838 0.9334000 0.4069000 
1 1 1   22    4    7 o   32.720   0.2142   32.800   0.3037   32.640   0.3020 0.1626000 0.4283000 
1 1 1   22    4    8 o   40.040   0.2512   40.310   0.3577   39.780   0.3528 0.5299000 0.5025000 
1 1 1   22    4    9 o   31.550   0.2150   31.730   0.3059   31.370   0.3023 0.3589000 0.4301000 
1 1 1   22    4   10 o   16.260   0.2014   15.910   0.2871   16.610   0.2825 -0.6966000 0.4027000 
1 1 1   22    4   11 o   31.360   0.2213   31.500   0.3138   31.210   0.3121 0.2903000 0.4426000 
1 1 1   22    4   12 o   27.470   0.2132   27.280   0.3008   27.660   0.3020 -0.3833000 0.4263000 
1 1 1   22    4   13 o   35.610   0.3652   36.220   0.5968   35.000   0.4211 1.220000 0.7304000 
1 1 1   22    4   14 o   25.770   0.2235   25.530   0.3151   26.010   0.3169 -0.4830000 0.4469000 
1 1 1   22    4   15 o   11.500   0.2834   11.560   0.3694   11.430   0.4300 0.1384000 0.5669000 
1 1 1   22    4   16 o   13.640   0.2552   13.570   0.3371   13.700   0.3833 -0.1231000 0.5105000 
1 1 1   22    4   17 o   22.700   0.2407   22.720   0.2880   22.680   0.3857 0.4299000E-01 0.4814000 
1 1 1   22    4   18 o   23.420   0.3453   23.780   0.4099   23.060   0.5559 0.7168000 0.6907000 
1 1 1   22    4   19 o   7.6740   0.4073   7.7280   0.5478   7.6190   0.6030 0.1092000 0.8147000 
1 1 1   22    4   20 o   11.490   0.2883   11.480   0.3823   11.490   0.4317 -0.1087000E-01 0.5767000 
1 1 1   22    4   21 o   7.1150   0.4329   6.6260   0.6136   7.6040   0.6108 -0.9776000 0.8658000 
1 1 1   22    4   22 o   4.1260   0.6775   2.8840   1.0480   5.3670   0.8593 -2.483000 1.355000 
1 1 1   22    4   23 o   7.1050   0.4398   6.9910   0.5973   7.2190   0.6456 -0.2280000 0.8795000 
1 1 1   22    4   24 o   7.2570   0.4299   7.1450   0.5771   7.3680   0.6372 -0.2230000 0.8597000 
1 1 1   22    4   25 o   2.7520   0.8010   2.1450   1.0010   3.3590   1.2510 -1.214000 1.602000 
1 1 1   22    4   26 o   3.4680   0.7932   3.5330   1.0840   3.4030   1.1580 0.1304000 1.586000 
1 1 1   22    4   27 f   2.4620   0.7384   2.3440   1.0040   2.5800   1.0830 -0.2358000 1.477000 
1 1 1   22    4   28 o   2.2330   0.7045   2.3540   1.0160   2.1120   0.9763 0.2427000 1.409000 
1 1 1   22    4   29 o   2.6850   0.8701   2.6480   1.1910   2.7230   1.2690 -0.7519000E-01 1.740000 
1 1 1   22    4   30 o   1.9050   0.6407   1.7120   0.8302   2.0980   0.9760 -0.3858000 1.281000 
1 1 1   22    6    0 o   14.510   0.1455   14.520   0.2064   14.510   0.2050 0.5659000E-02 0.2909000 
1 1 1   22    6    1 o   16.770   0.1604   16.840   0.2120   16.700   0.2409 0.1442000 0.3209000 
1 1 1   22    6    2 o   27.630   0.1851   27.930   0.2635   27.330   0.2599 0.6017000 0.3701000 
1 1 1   22    6    3 o   21.530   0.1884   21.020   0.2321   22.040   0.2968 -1.022000 0.3768000 
1 1 1   22    6    4 o   23.250   0.3095   23.250   0.3095  ?   ?       ?      ? 
1 1 1   22    6    5 o   40.270   0.2497   40.370   0.3543   40.170   0.3520 0.1964000 0.4994000 
1 1 1   22    6    6 o   23.540   0.1984   23.760   0.3039   23.320   0.2552 0.4367000 0.3968000 
1 1 1   22    6    7 o   55.310   0.3311   55.660   0.4716   54.960   0.4647 0.7003000 0.6621000 
1 1 1   22    6    8 o   23.560   0.1914   23.630   0.2729   23.500   0.2685 0.1337000 0.3828000 
1 1 1   22    6    9 o   43.200   0.2712   43.170   0.3844   43.220   0.3827 -0.4324000E-01 0.5424000 
1 1 1   22    6   10 o   21.900   0.1985   22.070   0.2815   21.730   0.2799 0.3441000 0.3970000 
1 1 1   22    6   11 o   19.690   0.2066   19.460   0.2929   19.930   0.2915 -0.4673000 0.4132000 
1 1 1   22    6   12 o   30.920   0.2483   30.720   0.3784   31.130   0.3218 -0.4113000 0.4967000 
1 1 1   22    6   13 o   34.550   0.3036   34.190   0.4294   34.900   0.4293 -0.7158000 0.6072000 
1 1 1   22    6   14 o   29.280   0.2303   29.040   0.3252   29.520   0.3261 -0.4808000 0.4605000 
1 1 1   22    6   15 o   14.690   0.2588   14.060   0.3782   15.330   0.3535 -1.271000 0.5177000 
1 1 1   22    6   16 o   8.9930   0.3781   9.1740   0.5410   8.8120   0.5284 0.3615000 0.7563000 
1 1 1   22    6   17 o   12.500   0.3750   12.890   0.5321   12.120   0.5286 0.7656000 0.7500000 
1 1 1   22    6   18 o   3.4280   0.7819   2.2680   1.0560   4.5890   1.1540 -2.322000 1.564000 
1 1 1   22    6   19 o   2.4540   0.7213   2.4760   1.0060   2.4330   1.0340 0.4302000E-01 1.443000 
1 1 1   22    6   20 o   9.1340   0.3534   8.8710   0.4849   9.3980   0.5142 -0.5272000 0.7068000 
1 1 1   22    6   21 o   8.2440   0.3801   8.2540   0.5079   8.2340   0.5656 0.2071000E-01 0.7602000 
1 1 1   22    6   22 o   4.9110   0.6512   6.1080   0.6763   3.7150   1.1130 2.394000 1.302000 
1 1 1   22    6   23 o   2.3290   0.7003   1.9840   0.9033   2.6750   1.0700 -0.6912000 1.401000 
1 1 1   22    6   24 o   2.7010   0.7195   2.0440   0.9158   3.3580   1.1100 -1.314000 1.439000 
1 1 1   22    6   25 o   2.9980   0.8528   3.0820   1.2100   2.9140   1.2020 0.1685000 1.706000 
1 1 1   22    6   26 o   2.4660   0.7280   2.7500   1.0680   2.1820   0.9901 0.5675000 1.456000 
1 1 1   22    6   27 o   3.2910   0.7895   2.6910   1.0700   3.8910   1.1610 -1.200000 1.579000 
1 1 1   22    6   28 o   3.4640   0.8049   3.0230   1.1170   3.9040   1.1590 -0.8807000 1.610000 
1 1 1   22    6   29 o   2.0340   0.7111   1.9640   0.9668   2.1040   1.0430 -0.1396000 1.422000 
1 1 1   22    8    0 o   49.650   0.2785   49.660   0.4205   49.640   0.3652 0.1587000E-01 0.5570000 
1 1 1   22    8    1 o   44.220   0.2521   44.070   0.3797   44.360   0.3317 -0.2829000 0.5041000 
1 1 1   22    8    2 o   31.220   0.2551   31.210   0.3614   31.230   0.3601 -0.2070000E-01 0.5102000 
1 1 1   22    8    3 o   33.880   0.2215   33.900   0.3130   33.870   0.3135 0.2886000E-01 0.4430000 
1 1 1   22    8    4 o   29.100   0.2014   29.370   0.2872   28.840   0.2825 0.5238000 0.4028000 
1 1 1   22    8    5 o   36.170   0.2344   35.950   0.3298   36.400   0.3332 -0.4527000 0.4688000 
1 1 1   22    8    6 o   50.320   0.3062   50.300   0.4332   50.340   0.4328 -0.3390000E-01 0.6124000 
1 1 1   22    8    7 o   25.060   0.1970   25.200   0.2803   24.910   0.2769 0.2822000 0.3940000 
1 1 1   22    8    8 o   43.960   0.2760   43.920   0.3903   44.000   0.3905 -0.7342000E-01 0.5521000 
1 1 1   22    8    9 o   11.900   0.2446   11.560   0.3563   12.250   0.3352 -0.6945000 0.4892000 
1 1 1   22    8   10 o   11.420   0.2828   11.710   0.4141   11.130   0.3854 0.5822000 0.5657000 
1 1 1   22    8   11 o   14.930   0.3286  ?   ?    14.930   0.3286      ?      ? 
1 1 1   22    8   12 o   20.520   0.2912   20.240   0.4271   20.810   0.3960 -0.5692000 0.5824000 
1 1 1   22    8   13 o   5.0110   0.6639   5.7060   0.8272   4.3160   1.0390 1.389000 1.328000 
1 1 1   22    8   14 o   8.9200   0.3763   8.8930   0.5469   8.9470   0.5171 -0.5434000E-01 0.7526000 
1 1 1   22    8   15 o   2.7450   0.7681   2.4750   1.0580   3.0150   1.1140 -0.5397000 1.536000 
1 1 1   22    8   16 o   7.3480   0.5024   7.4110   0.6630   7.2850   0.7549 0.1257000 1.005000 
1 1 1   22    8   17 f   7.0650   0.6063   6.7910   0.9392   7.3380   0.7671 -0.5478000 1.213000 
1 1 1   22    8   18 o   6.8650   0.4911   6.8530   0.7097   6.8770   0.6791 -0.2419000E-01 0.9823000 
1 1 1   22    8   19 o   3.0050   0.7897   3.0350   1.1330   2.9750   1.1010 0.5929000E-01 1.579000 
1 1 1   22    8   20 o   2.2120   0.6971   2.0930   0.9570   2.3300   1.0140 -0.2365000 1.394000 
1 1 1   22    8   21 o   5.4240   0.6141   5.4270   0.8769   5.4200   0.8599 0.6941000E-02 1.228000 
1 1 1   22    8   22 o   6.0460   0.5647   5.5870   0.8802   6.5050   0.7078 -0.9185000 1.129000 
1 1 1   22    8   23 o   7.6520   0.4159   7.2650   0.5798   8.0390   0.5964 -0.7735000 0.8318000 
1 1 1   22    8   24 o   2.0040   0.6590   1.9050   0.8959   2.1030   0.9665 -0.1982000 1.318000 
1 1 1   22    8   25 o   2.6180   0.7950   2.6790   1.1050   2.5580   1.1430 0.1208000 1.590000 
1 1 1   22    8   26 o   2.5150   0.7311   1.9570   0.9038   3.0730   1.1500 -1.117000 1.462000 
1 1 1   22    8   27 o   1.8200   0.6155   1.8060   0.8612   1.8350   0.8795 -0.2882000E-01 1.231000 
1 1 1   22    8   28 o   2.9230   0.8449   2.5210   1.0960   3.3250   1.2860 -0.8047000 1.690000 
1 1 1   22    8   29 o   2.8680   0.8358   2.8730   1.1790   2.8620   1.1850 0.1033000E-01 1.672000 
1 1 1   22   10    0 o   34.200   0.2102   34.470   0.3182   33.930   0.2747 0.5438000 0.4203000 
1 1 1   22   10    1 f   38.310   0.2286   38.420   0.3451   38.200   0.2999 0.2223000 0.4571000 
1 1 1   22   10    2 o   18.310   0.1877   18.610   0.2598   18.010   0.2709 0.6019000 0.3754000 
1 1 1   22   10    3 o   45.930   0.2663   46.030   0.4017   45.840   0.3499 0.1952000 0.5327000 
1 1 1   22   10    4 o   56.290   0.3386   56.300   0.4796   56.290   0.4780 0.3906000E-02 0.6771000 
1 1 1   22   10    5 o   29.960   0.2144   30.020   0.3042   29.910   0.3021 0.1129000 0.4287000 
1 1 1   22   10    6 o   18.410   0.2409   18.350   0.3235   18.460   0.3571 -0.1065000 0.4819000 
1 1 1   22   10    7 o   34.540   0.2609   35.180   0.4033   33.890   0.3313 1.289000 0.5219000 
1 1 1   22   10    8 o   29.920   0.2430   29.700   0.3687   30.130   0.3167 -0.4284000 0.4861000 
1 1 1   22   10    9 o   26.000   0.2339   25.940   0.3560   26.060   0.3034 -0.1214000 0.4677000 
1 1 1   22   10   10 o   16.970   0.2284   17.120   0.3241   16.830   0.3220 0.2909000 0.4569000 
1 1 1   22   10   11 o   6.9140   0.6016   6.8200   0.8599   7.0070   0.8416 -0.1874000 1.203000 
1 1 1   22   10   12 o   31.310   0.2377   31.330   0.3383   31.290   0.3339 0.3277000E-01 0.4753000 
1 1 1   22   10   13 o   26.930   0.2290   26.720   0.3270   27.130   0.3206 -0.4115000 0.4579000 
1 1 1   22   10   14 o   17.210   0.2496   17.320   0.3571   17.100   0.3487 0.2197000 0.4991000 
1 1 1   22   10   15 o   15.280   0.2856   15.210   0.3870   15.350   0.4201 -0.1368000 0.5712000 
1 1 1   22   10   16 o   11.190   0.4184   10.890   0.6515   11.500   0.5252 -0.6143000 0.8368000 
1 1 1   22   10   17 o   11.210   0.3331   11.820   0.4782   10.600   0.4637 1.222000 0.6661000 
1 1 1   22   10   18 o   7.0570   0.4954   6.6540   0.7791   7.4600   0.6122 -0.8068000 0.9908000 
1 1 1   22   10   19 o   11.850   0.3149   12.000   0.4588   11.710   0.4316 0.2940000 0.6299000 
1 1 1   22   10   20 o   2.1080   0.6757   2.5230   1.0750   1.6930   0.8193 0.8308000 1.351000 
1 1 1   22   10   21 o   3.1260   0.7955   3.2300   1.1380   3.0210   1.1120 0.2093000 1.591000 
1 1 1   22   10   22 o   2.8840   0.7779   3.1950   1.1380   2.5730   1.0610 0.6228000 1.556000 
1 1 1   22   10   23 o   2.6010   0.7712   2.9950   1.1910   2.2070   0.9795 0.7886000 1.542000 
1 1 1   22   10   24 o   3.1350   0.8840   3.3770   1.2760   2.8930   1.2230 0.4844000 1.768000 
1 1 1   22   10   25 o   5.9610   0.6169   6.3570   0.8082   5.5650   0.9323 0.7917000 1.234000 
1 1 1   22   10   26 o   2.7830   0.7906   3.0900   1.1700   2.4760   1.0630 0.6139000 1.581000 
1 1 1   22   10   27 o   1.8970   0.6455   1.8340   0.8724   1.9600   0.9518 -0.1260000 1.291000 
1 1 1   22   10   28 o   2.2190   0.7459   2.2600   1.0760   2.1770   1.0330 0.8243000E-01 1.492000 
1 1 1   22   12    0 o   21.520   0.1838   21.650   0.2757   21.400   0.2433 0.2405000 0.3677000 
1 1 1   22   12    1 o   3.2780   0.6150   2.4690   0.9595   4.0870   0.7696 -1.618000 1.230000 
1 1 1   22   12    2 o   15.690   0.1967   15.640   0.2942   15.740   0.2612 -0.9994000E-01 0.3934000 
1 1 1   22   12    3 o   21.780   0.1895   22.310   0.2843   21.240   0.2505 1.072000 0.3789000 
1 1 1   22   12    4 o   16.390   0.2025   16.010   0.3000   16.770   0.2721 -0.7553000 0.4050000 
1 1 1   22   12    5 o   43.330   0.3071   43.410   0.4729   43.240   0.3918 0.1770000 0.6141000 
1 1 1   22   12    6 o   32.390   0.2549   32.140   0.3888   32.640   0.3298 -0.5051000 0.5098000 
1 1 1   22   12    7 o   30.920   0.2323   30.440   0.3281   31.390   0.3290 -0.9497000 0.4647000 
1 1 1   22   12    8 o   18.260   0.2309   18.240   0.3215   18.290   0.3316 -0.4898000E-01 0.4618000 
1 1 1   22   12    9 o   13.270   0.3497   13.750   0.4754   12.800   0.5130 0.9480000 0.6994000 
1 1 1   22   12   10 o   9.0370   0.3737   9.3070   0.5187   8.7670   0.5381 0.5400000 0.7474000 
1 1 1   22   12   11 o   19.910   0.2297   20.090   0.3293   19.730   0.3202 0.3649000 0.4593000 
1 1 1   22   12   12 o   15.500   0.2564   15.500   0.3683   15.490   0.3568 0.1005000E-01 0.5128000 
1 1 1   22   12   13 o   8.4370   0.4277   7.7820   0.6264   9.0920   0.5825 -1.310000 0.8554000 
1 1 1   22   12   14 o   9.9860   0.3498   10.310   0.4964   9.6640   0.4931 0.6445000 0.6996000 
1 1 1   22   12   15 o   6.7770   0.6693   5.6790   1.1350   7.8740   0.7096 -2.195000 1.339000 
1 1 1   22   12   16 o   16.680   0.2522   16.870   0.3642   16.500   0.3489 0.3695000 0.5044000 
1 1 1   22   12   17 o   2.3860   0.7112   1.9500   0.9197   2.8220   1.0850 -0.8720000 1.422000 
1 1 1   22   12   18 f   11.270   0.3285   11.490   0.4813   11.050   0.4472 0.4447000 0.6569000 
1 1 1   22   12   19 o   4.5900   0.7253   5.4690   0.9434   3.7110   1.1020 1.758000 1.451000 
1 1 1   22   12   20 o   3.3950   0.7751   2.7860   1.1210   4.0040   1.0700 -1.218000 1.550000 
1 1 1   22   12   21 o   9.8600   0.3597   9.3970   0.5424   10.320   0.4725 -0.9260000 0.7194000 
1 1 1   22   12   22 o   5.0570   0.7069   5.1440   1.0620   4.9710   0.9331 0.1728000 1.414000 
1 1 1   22   12   23 o   4.3270   0.7514   2.4100   1.0960   6.2430   1.0280 -3.833000 1.503000 
1 1 1   22   12   24 o   3.6600   0.8618   3.8090   1.2620   3.5120   1.1740 0.2974000 1.724000 
1 1 1   22   12   25 o   2.6600   0.7865   2.8540   1.1570   2.4660   1.0650 0.3884000 1.573000 
1 1 1   22   12   26 o   2.2050   0.7119   2.2490   1.0200   2.1610   0.9936 0.8792000E-01 1.424000 
1 1 1   22   12   27 o   2.1210   0.7250   2.4070   1.1160   1.8350   0.9252 0.5727000 1.450000 
1 1 1   22   14    0 o   11.780   0.3966   11.580   0.7039   11.980   0.3658 -0.3945000 0.7932000 
1 1 1   22   14    1 f   19.640   0.2334   18.940   0.3591   20.340   0.2982 -1.401000 0.4667000 
1 1 1   22   14    2 o   21.250   0.2301   21.530   0.3513   20.970   0.2972 0.5594000 0.4602000 
1 1 1   22   14    3 o   20.620   0.2044   20.840   0.3064   20.410   0.2706 0.4321000 0.4088000 
1 1 1   22   14    4 o   18.680   0.2482   19.110   0.4104   18.250   0.2792 0.8617000 0.4964000 
1 1 1   22   14    5 o   8.3440   0.3666   8.5330   0.5452   8.1550   0.4902 0.3776000 0.7332000 
1 1 1   22   14    6 o   17.150   0.2849   17.190   0.3408   17.120   0.4566 0.7546000E-01 0.5698000 
1 1 1   22   14    7 o   10.740   0.4359   10.940   0.5765   10.540   0.6539 0.4077000 0.8717000 
1 1 1   22   14    8 o   23.550   0.2276   23.540   0.3248   23.560   0.3189 -0.2158000E-01 0.4552000 
1 1 1   22   14    9 o   11.800   0.3016   11.810   0.4317   11.790   0.4213 0.1794000E-01 0.6032000 
1 1 1   22   14   10 o   9.3200   0.3776   9.5370   0.5150   9.1020   0.5524 0.4350000 0.7552000 
1 1 1   22   14   11 o   21.770   0.2533   22.160   0.3335   21.380   0.3814 0.7806000 0.5066000 
1 1 1   22   14   12 f   11.190   0.3262   11.630   0.4569   10.760   0.4655 0.8662000 0.6523000 
1 1 1   22   14   13 o   11.790   0.3944   11.890   0.5854   11.690   0.5288 0.2035000 0.7889000 
1 1 1   22   14   14 o   3.2100   0.8030   3.3050   1.1590   3.1160   1.1110 0.1887000 1.606000 
1 1 1   22   14   15 o   2.7300   0.7704   2.7080   1.0980   2.7510   1.0810 -0.4220000E-01 1.541000 
1 1 1   22   14   16 o   7.5080   0.4481   8.2420   0.5985   6.7730   0.6672 1.469000 0.8963000 
1 1 1   22   14   17 o   5.8410   0.5721   5.7160   0.8672   5.9670   0.7465 -0.2506000 1.144000 
1 1 1   22   14   18 o   6.8060   0.5018   6.6420   0.7663   6.9710   0.6479 -0.3292000 1.004000 
1 1 1   22   14   19 o   7.9860   0.4332   7.7390   0.6630   8.2320   0.5577 -0.4924000 0.8664000 
1 1 1   22   14   20 o   2.7190   0.7705   2.5750   1.0890   2.8630   1.0900 -0.2877000 1.541000 
1 1 1   22   14   21 o   2.2700   0.7191   2.2620   1.0370   2.2790   0.9961 -0.1688000E-01 1.438000 
1 1 1   22   14   22 o   3.7770   0.9161   3.8370   1.2930   3.7170   1.2980 0.1200000 1.832000 
1 1 1   22   14   23 o   4.1160   0.7970   4.0660   1.1360   4.1650   1.1180 -0.9964000E-01 1.594000 
1 1 1   22   14   24 o   2.0730   0.6756   1.7560   0.8577   2.3900   1.0440 -0.6335000 1.351000 
1 1 1   22   14   25 o   2.8270   0.7630   3.7210   1.2030   1.9320   0.9383 1.789000 1.526000 
1 1 1   22   14   26 o   2.0480   0.7133   2.3620   1.1240   1.7350   0.8788 0.6269000 1.427000 
1 1 1   22   16    0 o   8.5330   0.3350   8.6880   0.4805   8.3770   0.4668 0.3111000 0.6699000 
1 1 1   22   16    1 o   22.810   0.3364   22.480   0.6139   23.140   0.2753 -0.6626000 0.6728000 
1 1 1   22   16    2 o   12.640   0.4588   12.200   0.8529   13.080   0.3386 -0.8835000 0.9177000 
1 1 1   22   16    3 o   12.800   0.4591   13.040   0.8168   12.550   0.4196 0.4937000 0.9183000 
1 1 1   22   16    4 o   9.9070   0.4069   9.7180   0.6364   10.100   0.5073 -0.3774000 0.8138000 
1 1 1   22   16    5 o   9.9560   0.3265   9.6340   0.5086   10.280   0.4095 -0.6447000 0.6529000 
1 1 1   22   16    6 o   18.330   0.2449   18.980   0.3887   17.680   0.2981 1.291000 0.4898000 
1 1 1   22   16    7 o   24.010   0.2319   24.130   0.3293   23.890   0.3267 0.2439000 0.4638000 
1 1 1   22   16    8 o   14.300   0.3005   13.820   0.3985   14.790   0.4500 -0.9623000 0.6010000 
1 1 1   22   16    9 f   14.460   0.2706   14.830   0.3792   14.100   0.3861 0.7346000 0.5411000 
1 1 1   22   16   10 o   11.690   0.3079   12.090   0.4322   11.280   0.4388 0.8123000 0.6159000 
1 1 1   22   16   11 o   6.9880   0.6439   6.4220   1.0200   7.5540   0.7865 -1.132000 1.288000 
1 1 1   22   16   12 o   16.010   0.2684   15.950   0.3815   16.080   0.3776 -0.1287000 0.5367000 
1 1 1   22   16   13 o   5.4550   0.6364   5.8540   0.8439   5.0560   0.9529 0.7982000 1.273000 
1 1 1   22   16   14 o   8.0340   0.4396   9.1030   0.5552   6.9650   0.6818 2.138000 0.8792000 
1 1 1   22   16   15 o   8.9570   0.3830   8.8220   0.5689   9.0930   0.5131 -0.2710000 0.7661000 
1 1 1   22   16   16 o   12.420   0.3038   12.200   0.4444   12.630   0.4143 -0.4282000 0.6076000 
1 1 1   22   16   17 o   4.0770   0.7668   3.4690   1.1760   4.6840   0.9849 -1.214000 1.534000 
1 1 1   22   16   18 o   3.6380   0.7523   2.7770   1.1210   4.4990   1.0040 -1.723000 1.505000 
1 1 1   22   16   19 o   2.4610   0.7547   2.4260   1.0950   2.4960   1.0390 -0.6912000E-01 1.509000 
1 1 1   22   16   20 o   3.1920   0.8543   3.4480   1.1970   2.9350   1.2190 0.5133000 1.709000 
1 1 1   22   16   21 o   2.2770   0.7487   2.1640   1.0190   2.3890   1.0970 -0.2254000 1.497000 
1 1 1   22   16   22 o   3.0740   0.7522   2.2400   1.0060   3.9070   1.1190 -1.668000 1.504000 
1 1 1   22   16   23 o   2.0590   0.6776   2.0080   0.9463   2.1090   0.9702 -0.1011000 1.355000 
1 1 1   22   16   24 o   2.2520   0.7317   1.9210   0.9190   2.5830   1.1390 -0.6626000 1.463000 
1 1 1   22   16   25 o   2.7500   0.8514   2.9730   1.2750   2.5260   1.1280 0.4466000 1.703000 
1 1 1   22   18    0 o   4.4850   0.6431   3.8460   1.0000   5.1230   0.8087 -1.277000 1.286000 
1 1 1   22   18    1 o   11.430   0.3129   11.290   0.4579   11.570   0.4264 -0.2770000 0.6257000 
1 1 1   22   18    2 o   25.820   0.2318   25.810   0.3306   25.830   0.3249 -0.2352000E-01 0.4635000 
1 1 1   22   18    3 o   2.7970   0.7067   3.7980   1.1240   1.7950   0.8573 2.003000 1.413000 
1 1 1   22   18    4 o   7.7250   0.7695   6.8140   1.4380   8.6350   0.5485 -1.821000 1.539000 
1 1 1   22   18    5 o   9.3470   0.6838   8.1040   1.3030   10.590   0.4159 -2.486000 1.368000 
1 1 1   22   18    6 o   11.950   0.5108   11.300   0.9516   12.610   0.3714 -1.305000 1.022000 
1 1 1   22   18    7 o   3.5760   0.7626   3.1130   1.1470   4.0400   1.0050 -0.9265000 1.525000 
1 1 1   22   18    8 o   3.7130   0.8776   3.9430   1.3070   3.4830   1.1710 0.4602000 1.755000 
1 1 1   22   18    9 o   4.0130   0.8747   4.0580   1.3160   3.9690   1.1530 0.8912000E-01 1.749000 
1 1 1   22   18   10 o   8.5740   0.4189   8.5140   0.5999   8.6330   0.5849 -0.1184000 0.8379000 
1 1 1   22   18   11 o   13.340   0.2975   13.630   0.4188   13.060   0.4228 0.5644000 0.5951000 
1 1 1   22   18   12 o   9.2970   0.3874   9.2890   0.5492   9.3060   0.5465 -0.1662000E-01 0.7748000 
1 1 1   22   18   13 o   3.7700   0.7866   3.1070   1.1430   4.4340   1.0810 -1.327000 1.573000 
1 1 1   22   18   14 o   4.7220   0.7218   4.5440   1.0500   4.8990   0.9907 -0.3548000 1.444000 
1 1 1   22   18   15 o   3.0160   0.7957   3.3020   1.1590   2.7310   1.0910 0.5710000 1.591000 
1 1 1   22   18   16 o   3.3010   0.8029   3.6090   1.1640   2.9920   1.1060 0.6176000 1.606000 
1 1 1   22   18   17 f   2.2230   0.7030   1.9180   0.9304   2.5280   1.0540 -0.6102000 1.406000 
1 1 1   22   18   18 o   4.8860   0.7068   4.8400   1.0660   4.9310   0.9290 -0.9094000E-01 1.414000 
1 1 1   22   18   19 o   4.0730   0.9291   3.8340   1.3130   4.3120   1.3150 -0.4784000 1.858000 
1 1 1   22   18   20 f   2.8390   0.7730   2.3280   1.0370   3.3500   1.1460 -1.022000 1.546000 
1 1 1   22   18   21 f   2.9530   0.8030   2.7620   1.1320   3.1440   1.1390 -0.3818000 1.606000 
1 1 1   22   18   22 o   2.3720   0.7481   2.0300   0.9521   2.7150   1.1540 -0.6856000 1.496000 
1 1 1   22   18   23 f   1.9820   0.6703   1.8980   0.9110   2.0650   0.9834 -0.1670000 1.341000 
1 1 1   22   18   24 o   2.6910   1.2300   2.6910   1.2300  ?   ?       ?      ? 
1 1 1   22   20    0 o   5.2240   0.5931   4.8170   0.9295   5.6310   0.7369 -0.8139000 1.186000 
1 1 1   22   20    1 o   11.920   0.2982   11.900   0.4531   11.940   0.3879 -0.3741000E-01 0.5965000 
1 1 1   22   20    2 o   12.740   0.2807   12.900   0.4189   12.580   0.3738 0.3262000 0.5614000 
1 1 1   22   20    3 o   11.960   0.2859   11.840   0.4257   12.070   0.3818 -0.2339000 0.5718000 
1 1 1   22   20    4 o   7.3790   0.5346   7.0940   0.8523   7.6640   0.6458 -0.5697000 1.069000 
1 1 1   22   20    5 o   5.9240   0.6851   5.4560   1.1300   6.3930   0.7750 -0.9375000 1.370000 
1 1 1   22   20    6 o   16.710   0.2495   16.620   0.3790   16.800   0.3246 -0.1864000 0.4991000 
1 1 1   22   20    7 o   4.9370   0.9383   5.1850   1.6530   4.6880   0.8889 0.4975000 1.877000 
1 1 1   22   20    8 o   10.220   0.6150   9.2050   1.1640   11.230   0.3974 -2.028000 1.230000 
1 1 1   22   20    9 o   3.8380   0.9770   5.0450   1.6610   2.6310   1.0290 2.415000 1.954000 
1 1 1   22   20   10 o   6.5450   0.4929   6.7020   0.7465   6.3880   0.6439 0.3139000 0.9858000 
1 1 1   22   20   11 o   5.6420   0.6218   6.2660   0.7971   5.0180   0.9545 1.248000 1.244000 
1 1 1   22   20   12 o   2.8330   0.7895   2.6590   1.1000   3.0070   1.1320 -0.3482000 1.579000 
1 1 1   22   20   13 o   2.7810   0.7813   3.1260   1.1530   2.4360   1.0550 0.6900000 1.563000 
1 1 1   22   20   14 o   9.5260   0.3987   9.4990   0.5725   9.5540   0.5551 -0.5530000E-01 0.7975000 
1 1 1   22   20   15 o   4.0180   0.8500   4.3070   1.2650   3.7300   1.1350 0.5764000 1.700000 
1 1 1   22   20   16 f   2.5860   0.7717   2.5770   1.1050   2.5940   1.0780 -0.1685000E-01 1.543000 
1 1 1   22   20   17 o   2.8740   0.8503   3.3780   1.2990   2.3710   1.0980 1.008000 1.701000 
1 1 1   22   20   18 o   4.4350   0.7752   4.0790   1.1990   4.7900   0.9832 -0.7117000 1.550000 
1 1 1   22   20   19 o   4.6360   0.7714   4.8580   1.0930   4.4140   1.0890 0.4443000 1.543000 
1 1 1   22   20   20 o   2.3250   0.7228   2.8330   1.1520   1.8170   0.8728 1.016000 1.446000 
1 1 1   22   20   21 o   2.9670   0.8373   2.5970   1.1120   3.3380   1.2520 -0.7407000 1.675000 
1 1 1   22   20   22 f   2.7550   0.8541   2.8790   1.2610   2.6300   1.1520 0.2491000 1.708000 
1 1 1   22   22    0 o   7.2390   0.4083   6.9110   0.5932   7.5670   0.5613 -0.6565000 0.8167000 
1 1 1   22   22    1 o   11.980   0.2709   11.980   0.3823   11.970   0.3839 0.9045000E-02 0.5418000 
1 1 1   22   22    2 o   3.6240   0.7661   3.1920   1.1580   4.0560   1.0030 -0.8636000 1.532000 
1 1 1   22   22    3 f   9.1560   0.3549   9.2120   0.5284   9.1000   0.4739 0.1122000 0.7098000 
1 1 1   22   22    4 o   9.3870   0.3450   9.6920   0.5043   9.0820   0.4711 0.6097000 0.6901000 
1 1 1   22   22    5 o   2.2760   0.6824   1.9030   0.8983   2.6480   1.0270 -0.7448000 1.365000 
1 1 1   22   22    6 o   2.8750   0.7411   3.5230   1.1310   2.2280   0.9578 1.295000 1.482000 
1 1 1   22   22    7 o   10.240   0.3323   9.9220   0.5150   10.550   0.4202 -0.6314000 0.6647000 
1 1 1   22   22    8 o   6.5090   0.5020   6.7960   0.7635   6.2210   0.6520 0.5752000 1.004000 
1 1 1   22   22    9 o   8.9770   0.3759   8.5500   0.5996   9.4040   0.4535 -0.8543000 0.7518000 
1 1 1   22   22   10 o   2.5320   0.8112   2.7530   1.2910   2.3110   0.9825 0.4424000 1.622000 
1 1 1   22   22   11 o   7.5370   0.6404  ?   ?    7.5370   0.6404      ?      ? 
1 1 1   22   22   12 o   2.4120   1.0400  ?   ?    2.4120   1.0400      ?      ? 
1 1 1   22   22   13 o   5.6030   0.6822   6.5820   0.8098   4.6240   1.0980 1.958000 1.364000 
1 1 1   22   22   14 o   4.8590   0.7704   5.0650   1.0490   4.6530   1.1290 0.4118000 1.541000 
1 1 1   22   22   15 o   4.1390   0.9433   4.8690   1.2740   3.4100   1.3910 1.459000 1.887000 
1 1 1   22   22   16 o   3.7450   0.7789   4.9010   1.0950   2.5900   1.1080 2.311000 1.558000 
1 1 1   22   22   17 o   5.2970   0.7271   6.3260   0.8770   4.2680   1.1600 2.058000 1.454000 
1 1 1   22   22   18 o   2.0210   0.6815   2.0970   0.9816   1.9450   0.9456 0.1525000 1.363000 
1 1 1   22   22   19 o   2.3200   0.7525   2.0250   0.9808   2.6160   1.1420 -0.5912000 1.505000 
1 1 1   22   22   20 o   2.0150   0.7036   2.0200   0.9935   2.0100   0.9965 0.9572000E-02 1.407000 
1 1 1   22   24    0 o   9.0150   0.3362   8.7970   0.4836   9.2320   0.4671 -0.4355000 0.6724000 
1 1 1   22   24    1 o   9.9870   0.3137   10.090   0.4372   9.8870   0.4499 0.1999000 0.6273000 
1 1 1   22   24    2 o   10.390   0.3399   10.090   0.5327   10.680   0.4224 -0.5898000 0.6799000 
1 1 1   22   24    3 o   9.1520   0.3724   9.3060   0.5731   8.9980   0.4757 0.3078000 0.7449000 
1 1 1   22   24    4 o   9.2390   0.3654   8.4920   0.5848   9.9850   0.4382 -1.492000 0.7307000 
1 1 1   22   24    5 o   6.8830   0.4941   5.9350   0.8319   7.8310   0.5335 -1.896000 0.9883000 
1 1 1   22   24    6 o   6.7460   0.5513   6.7850   0.8591   6.7080   0.6913 0.7749000E-01 1.103000 
1 1 1   22   24    7 o   10.110   0.3866   10.410   0.5805   9.8010   0.5108 0.6107000 0.7732000 
1 1 1   22   24    8 o   11.880   0.3493   12.400   0.5295   11.360   0.4558 1.035000 0.6987000 
1 1 1   22   24    9 o   4.6210   0.7153   4.1950   1.1630   5.0480   0.8338 -0.8525000 1.431000 
1 1 1   22   24   10 o   3.1210   0.7869   3.3880   1.1630   2.8540   1.0600 0.5340000 1.574000 
1 1 1   22   24   11 o   5.2380   0.6998   5.1190   0.9982   5.3560   0.9810 -0.2365000 1.400000 
1 1 1   22   24   12 o   4.2920   0.8752   4.6490   1.2600   3.9360   1.2150 0.7125000 1.750000 
1 1 1   22   24   13 o   2.4840   0.8401   3.2180   1.4560   1.7500   0.8388 1.468000 1.680000 
1 1 1   22   24   14 o   2.1870   0.7455   2.3850   1.1760   1.9900   0.9162 0.3953000 1.491000 
1 1 1   22   24   15 o   2.6360   0.8517   2.5900   1.2570   2.6830   1.1490 -0.9329000E-01 1.703000 
1 1 1   22   24   16 o   2.9460   0.8633   2.3040   1.1440   3.5880   1.2930 -1.284000 1.727000 
1 1 1   22   24   17 o   2.8430   0.8173   3.2140   1.2140   2.4720   1.0950 0.7426000 1.635000 
1 1 1   22   26    0 o   3.1210   0.7709   2.8670   1.1210   3.3740   1.0590 -0.5074000 1.542000 
1 1 1   22   26    1 o   4.1550   0.7072   4.2770   0.9990   4.0330   1.0010 0.2435000 1.414000 
1 1 1   22   26    2 o   9.8900   0.3853   10.320   0.5416   9.4610   0.5481 0.8584000 0.7706000 
1 1 1   22   26    3 o   2.7800   0.7703   3.0910   1.1610   2.4690   1.0120 0.6212000 1.541000 
1 1 1   22   26    4 o   3.8560   0.7727   3.9740   1.1390   3.7390   1.0440 0.2352000 1.545000 
1 1 1   22   26    5 o   3.0530   0.7823   2.9260   1.1340   3.1800   1.0780 -0.2545000 1.565000 
1 1 1   22   26    6 o   3.7210   0.7602   3.2000   1.1510   4.2410   0.9938 -1.041000 1.520000 
1 1 1   22   26    7 o   2.8510   0.7882   2.3040   1.0290   3.3990   1.1940 -1.096000 1.576000 
1 1 1   22   26    8 o   3.8410   0.8886   4.3230   1.3100   3.3600   1.2000 0.9629000 1.777000 
1 1 1   22   26    9 o   5.4570   0.7683   5.4920   1.1720   5.4220   0.9942 0.7022000E-01 1.537000 
1 1 1   22   26   10 o   3.3140   0.8067   3.4090   1.1920   3.2180   1.0880 0.1913000 1.613000 
1 1 1   22   26   11 o   2.9080   0.7868   2.3740   1.0640   3.4420   1.1590 -1.068000 1.574000 
1 1 1   22   26   12 o   2.4630   0.7569   2.5580   1.1000   2.3680   1.0400 0.1893000 1.514000 
1 1 1   22   26   13 o   2.5110   0.7518   2.9610   1.1720   2.0610   0.9422 0.8994000 1.504000 
1 1 1   22   26   14 o   2.5960   0.7640   3.0160   1.1720   2.1760   0.9805 0.8404000 1.528000 
1 1 1   22   28    0 f   3.1120   0.8253   2.8070   1.1350   3.4160   1.1980 -0.6091000 1.651000 
1 1 1   22   28    1 o   2.1070   0.7033   2.2210   1.0440   1.9930   0.9422 0.2277000 1.407000 
1 1 1   22   28    2 o   3.2860   0.8637   3.0000   1.2470   3.5710   1.1950 -0.5716000 1.727000 
1 1 1   22   28    3 o   3.6150   0.8838   3.4820   1.3140   3.7480   1.1820 -0.2657000 1.768000 
1 1 1   22   28    4 o   2.0280   0.6647   2.1320   0.9841   1.9250   0.8938 0.2068000 1.329000 
1 1 1   22   28    5 o   3.1530   0.8223   3.0740   1.1740   3.2320   1.1520 -0.1581000 1.645000 
1 1 1   22   28    6 o   6.0130   0.6117   6.2820   0.8481   5.7440   0.8816 0.5388000 1.223000 
1 1 1   22   28    7 f   2.8960   0.8010   3.1390   1.1700   2.6530   1.0950 0.4864000 1.602000 
1 1 1   22   28    8 o   3.3520   0.7918   4.1260   1.1480   2.5770   1.0910 1.550000 1.584000 
1 1 1   22   28    9 o   3.6620   0.8210   3.6940   1.2110   3.6300   1.1090 0.6458000E-01 1.642000 
1 1 1   23    1    0 o   46.050   0.4043   46.040   0.6601   46.060   0.4671 -0.2243000E-01 0.8087000 
1 1 1   23    1    1 o   25.970   0.1869   26.110   0.2921   25.830   0.2332 0.2815000 0.3738000 
1 1 1   23    1    2 o   36.950   0.2501   37.090   0.3894   36.820   0.3139 0.2632000 0.5002000 
1 1 1   23    1    3 o   11.550   0.1949   11.640   0.2730   11.460   0.2783 0.1749000 0.3898000 
1 1 1   23    1    4 o   26.690   0.2003   26.670   0.3118   26.710   0.2514 -0.3151000E-01 0.4006000 
1 1 1   23    1    5 o   18.040   0.2847   18.020   0.4134   18.060   0.3917 -0.3841000E-01 0.5694000 
1 1 1   23    1    6 o   14.620   0.1677   14.950   0.2400   14.290   0.2342 0.6586000 0.3354000 
1 1 1   23    1    7 o   8.4690   0.2425   8.4460   0.3453   8.4930   0.3406 -0.4734000E-01 0.4850000 
1 1 1   23    1    8 o   29.570   0.2027   29.910   0.2893   29.240   0.2839 0.6685000 0.4053000 
1 1 1   23    1    9 o   13.370   0.2047   13.430   0.2884   13.300   0.2907 0.1307000 0.4095000 
1 1 1   23    1   10 o   27.460   0.2042   27.180   0.2872   27.740   0.2904 -0.5613000 0.4084000 
1 1 1   23    1   11 f   20.860   0.1989   20.870   0.2808   20.840   0.2818 0.3112000E-01 0.3979000 
1 1 1   23    1   12 o   14.570   0.2283   14.650   0.3204   14.480   0.3252 0.1675000 0.4566000 
1 1 1   23    1   13 o   38.960   0.3137   38.730   0.4409   39.190   0.4465 -0.4639000 0.6275000 
1 1 1   23    1   14 o   26.180   0.2245   26.640   0.3160   25.720   0.3190 0.9249000 0.4490000 
1 1 1   23    1   15 o   20.070   0.2292   20.400   0.3227   19.750   0.3255 0.6476000 0.4584000 
1 1 1   23    1   16 o   11.470   0.3130   11.190   0.4535   11.750   0.4316 -0.5583000 0.6260000 
1 1 1   23    1   17 o   2.3550   0.7231   2.4870   1.0530   2.2220   0.9908 0.2643000 1.446000 
1 1 1   23    1   18 o   17.200   0.4507   17.540   0.6374   16.860   0.6375 0.6773000 0.9015000 
1 1 1   23    1   19 o   4.2890   0.7488   4.3290   1.0560   4.2500   1.0620 0.7915000E-01 1.498000 
1 1 1   23    1   20 o   6.7070   0.4894   6.5620   0.7093   6.8510   0.6745 -0.2894000 0.9788000 
1 1 1   23    1   21 o   4.3850   0.7418   4.2290   1.0670   4.5410   1.0310 -0.3125000 1.484000 
1 1 1   23    1   22 o   2.2280   0.7020   1.9920   0.9275   2.4630   1.0540 -0.4706000 1.404000 
1 1 1   23    1   23 o   5.2060   0.6758   5.1700   0.9689   5.2410   0.9425 -0.7148000E-01 1.352000 
1 1 1   23    1   24 o   3.3920   0.7903   3.1470   1.1120   3.6380   1.1230 -0.4910000 1.581000 
1 1 1   23    1   25 o   2.3780   0.7411   1.8120   0.8881   2.9430   1.1870 -1.131000 1.482000 
1 1 1   23    1   26 o   2.7870   0.7426   3.6440   1.1690   1.9300   0.9159 1.713000 1.485000 
1 1 1   23    1   27 o   3.1060   0.8191   3.4030   1.1850   2.8090   1.1310 0.5934000 1.638000 
1 1 1   23    1   28 o   2.0350   0.6621   1.4960   0.7482   2.5740   1.0930 -1.077000 1.324000 
1 1 1   23    1   29 o   2.4710   0.8467   2.5720   1.2380   2.3710   1.1550 0.2007000 1.693000 
1 1 1   23    1   30 o   2.9540   0.8082   3.4260   1.2050   2.4820   1.0770 0.9437000 1.616000 
1 1 1   23    3    0 o   25.110   0.2012   25.270   0.2850   24.960   0.2841 0.3138000 0.4024000 
1 1 1   23    3    1 o   21.570   0.1703   22.260   0.2708   20.880   0.2067 1.380000 0.3407000 
1 1 1   23    3    2 o   25.060   0.1666   25.130   0.2362   24.980   0.2349 0.1482000 0.3331000 
1 1 1   23    3    3 o   19.640   0.1523   19.360   0.2155   19.930   0.2153 -0.5676000 0.3046000 
1 1 1   23    3    4 o   17.950   0.1675   17.980   0.2172   17.930   0.2551 0.4412000E-01 0.3350000 
1 1 1   23    3    5 o   23.600   0.2128   24.210   0.3052   22.990   0.2968 1.217000 0.4257000 
1 1 1   23    3    6 o   30.530   0.2016   30.590   0.2864   30.480   0.2839 0.1053000 0.4033000 
1 1 1   23    3    7 o   26.190   0.1878   26.210   0.2662   26.180   0.2651 0.2764000E-01 0.3757000 
1 1 1   23    3    8 o   4.3400   0.4969   4.4200   0.7059   4.2610   0.6996 0.1588000 0.9938000 
1 1 1   23    3    9 o   2.2150   0.6317   2.0420   0.8689   2.3890   0.9172 -0.3475000 1.263000 
1 1 1   23    3   10 o   30.270   0.2137   30.190   0.3024   30.350   0.3020 -0.1652000 0.4274000 
1 1 1   23    3   11 o   12.370   0.2725   11.790   0.3522   12.960   0.4159 -1.171000 0.5450000 
1 1 1   23    3   12 o   37.470   0.2331   36.990   0.3020   37.950   0.3551 -0.9627000 0.4662000 
1 1 1   23    3   13 o   4.8120   0.7660   4.3520   1.1260   5.2720   1.0390 -0.9193000 1.532000 
1 1 1   23    3   14 o   24.850   0.2076   24.770   0.2714   24.920   0.3142 -0.1470000 0.4152000 
1 1 1   23    3   15 o   23.920   0.2080   24.020   0.2722   23.830   0.3145 0.1917000 0.4159000 
1 1 1   23    3   16 o   12.880   0.2687   12.800   0.3535   12.960   0.4049 -0.1530000 0.5375000 
1 1 1   23    3   17 o   11.870   0.2895   12.160   0.3693   11.580   0.4459 0.5801000 0.5790000 
1 1 1   23    3   18 o   12.590   0.4498   12.330   0.5455   12.860   0.7152 -0.5311000 0.8995000 
1 1 1   23    3   19 o   12.570   0.2761   12.890   0.3583   12.240   0.4202 0.6542000 0.5522000 
1 1 1   23    3   20 o   5.5270   0.5697   4.5830   0.8980   6.4710   0.7014 -1.887000 1.139000 
1 1 1   23    3   21 o   2.0270   0.6526   2.0930   0.9303   1.9610   0.9155 0.1321000 1.305000 
1 1 1   23    3   22 o   3.3460   0.7697   3.1110   1.0620   3.5800   1.1150 -0.4687000 1.539000 
1 1 1   23    3   23 f   4.4840   0.6981   4.4480   0.9347   4.5210   1.0370 -0.7301000E-01 1.396000 
1 1 1   23    3   24 o   3.0790   0.6851   4.0760   0.9851   2.0810   0.9525 1.994000 1.370000 
1 1 1   23    3   25 o   3.3910   0.8723   2.9880   1.1950   3.7950   1.2720 -0.8071000 1.745000 
1 1 1   23    3   26 o   2.0540   0.6643   2.2130   0.9740   1.8940   0.9037 0.3184000 1.329000 
1 1 1   23    3   27 o   2.6440   0.7676   2.5420   1.0460   2.7460   1.1240 -0.2035000 1.535000 
1 1 1   23    3   28 o   2.2910   0.7214   2.0660   0.9632   2.5150   1.0740 -0.4494000 1.443000 
1 1 1   23    3   29 o   2.5580   0.8670   2.5100   1.2190   2.6060   1.2340 -0.9689000E-01 1.734000 
1 1 1   23    3   30 o   2.3110   0.7937   2.2820   1.0880   2.3400   1.1560 -0.5846000E-01 1.587000 
1 1 1   23    5    0 o   16.700   0.1540   16.890   0.2523   16.520   0.1767 0.3651000 0.3080000 
1 1 1   23    5    1 o   9.5770   0.1921   9.8730   0.2312   9.2810   0.3069 0.5914000 0.3843000 
1 1 1   23    5    2 o   18.110   0.1635   17.920   0.2131   18.300   0.2480 -0.3796000 0.3270000 
1 1 1   23    5    3 o   9.2700   0.1886   9.5590   0.2590   8.9800   0.2742 0.5794000 0.3771000 
1 1 1   23    5    4 o   11.190   0.2241   11.230   0.3174   11.160   0.3163 0.7092000E-01 0.4481000 
1 1 1   23    5    5 o   39.270   0.3000   39.150   0.4242   39.390   0.4244 -0.2460000 0.6000000 
1 1 1   23    5    6 o   12.270   0.1925   12.070   0.2806   12.470   0.2635 -0.4028000 0.3849000 
1 1 1   23    5    7 o   22.800   0.1834   22.720   0.2611   22.880   0.2577 -0.1689000 0.3669000 
1 1 1   23    5    8 o   26.440   0.1964   26.640   0.2788   26.240   0.2767 0.4002000 0.3928000 
1 1 1   23    5    9 o   25.260   0.1989   25.080   0.2813   25.440   0.2812 -0.3618000 0.3977000 
1 1 1   23    5   10 o   35.610   0.2372   35.850   0.3385   35.380   0.3325 0.4736000 0.4745000 
1 1 1   23    5   11 o   32.420   0.2271   32.500   0.3226   32.340   0.3198 0.1597000 0.4543000 
1 1 1   23    5   12 o   20.130   0.2265   20.210   0.3432   20.050   0.2957 0.1615000 0.4530000 
1 1 1   23    5   13 o   9.2740   0.4392   8.8320   0.6494   9.7170   0.5914 -0.8856000 0.8784000 
1 1 1   23    5   14 o   14.850   0.2555   14.390   0.3626   15.310   0.3601 -0.9147000 0.5111000 
1 1 1   23    5   15 o   16.420   0.2459   15.810   0.3548   17.030   0.3406 -1.218000 0.4918000 
1 1 1   23    5   16 f   8.9700   0.3782   8.6980   0.5542   9.2410   0.5148 -0.5432000 0.7564000 
1 1 1   23    5   17 o   2.6160   0.7702   2.8790   1.1190   2.3540   1.0590 0.5253000 1.540000 
1 1 1   23    5   18 o   5.6700   0.6840   4.1870   1.1310   7.1530   0.7700 -2.966000 1.368000 
1 1 1   23    5   19 o   11.950   0.2866   12.050   0.3800   11.850   0.4293 0.2025000 0.5733000 
1 1 1   23    5   20 o   11.200   0.2988   11.180   0.4026   11.210   0.4416 -0.2424000E-01 0.5976000 
1 1 1   23    5   21 o   6.7570   0.4584   6.3070   0.6508   7.2070   0.6457 -0.9000000 0.9167000 
1 1 1   23    5   22 o   9.4670   0.3474   9.8650   0.4475   9.0690   0.5317 0.7963000 0.6949000 
1 1 1   23    5   23 o   1.8820   0.6220   1.9170   0.8840   1.8470   0.8753 0.6992000E-01 1.244000 
1 1 1   23    5   24 o   6.1880   0.5004   6.0470   0.6850   6.3290   0.7297 -0.2812000 1.001000 
1 1 1   23    5   25 o   2.9090   0.8372   3.1590   1.2150   2.6590   1.1520 0.4993000 1.674000 
1 1 1   23    5   26 o   2.5720   0.7534   2.4750   1.0310   2.6700   1.0990 -0.1954000 1.507000 
1 1 1   23    5   27 o   1.8770   0.6275   2.0810   0.9472   1.6720   0.8234 0.4099000 1.255000 
1 1 1   23    5   28 o   2.9800   0.7991   3.2050   1.1300   2.7550   1.1300 0.4495000 1.598000 
1 1 1   23    5   29 f   2.3550   0.7891   2.6470   1.1990   2.0640   1.0270 0.5834000 1.578000 
1 1 1   23    7    0 o   54.430   0.3015   54.580   0.4563   54.280   0.3941 0.2990000 0.6029000 
1 1 1   23    7    1 o   35.130   0.2073   35.080   0.3121   35.190   0.2729 -0.1097000 0.4146000 
1 1 1   23    7    2 o   42.260   0.2582   41.920   0.3627   42.610   0.3677 -0.6949000 0.5165000 
1 1 1   23    7    3 o   57.230   0.4165   57.130   0.5884   57.330   0.5897 -0.2026000 0.8331000 
1 1 1   23    7    4 o   25.140   0.1859   25.220   0.2631   25.070   0.2628 0.1528000 0.3719000 
1 1 1   23    7    5 o   18.530   0.1772   18.870   0.2499   18.180   0.2514 0.6981000 0.3544000 
1 1 1   23    7    6 o   48.690   0.2962   49.000   0.4219   48.380   0.4158 0.6216000 0.5924000 
1 1 1   23    7    7 o   21.440   0.1877   21.430   0.2667   21.450   0.2641 -0.2148000E-01 0.3753000 
1 1 1   23    7    8 o   18.450   0.1942   18.520   0.2747   18.380   0.2747 0.1354000 0.3885000 
1 1 1   23    7    9 o   14.060   0.2228   14.080   0.3248   14.040   0.3051 0.4298000E-01 0.4456000 
1 1 1   23    7   10 f   6.1500   0.4498   5.8830   0.6797   6.4180   0.5894 -0.5348000 0.8997000 
1 1 1   23    7   11 o   4.6010   0.6656   4.5790   0.9814   4.6240   0.8994 -0.4491000E-01 1.331000 
1 1 1   23    7   12 o   2.3940   0.7627   2.3080   1.0540   2.4800   1.1030 -0.1725000 1.525000 
1 1 1   23    7   13 o   22.710   0.2224   22.330   0.3145   23.090   0.3145 -0.7584000 0.4447000 
1 1 1   23    7   14 o   6.6900   0.4958   7.1540   0.6569   6.2260   0.7427 0.9277000 0.9915000 
1 1 1   23    7   15 o   3.8370   0.7605   3.2710   1.1390   4.4030   1.0080 -1.132000 1.521000 
1 1 1   23    7   16 o   15.190   0.2865   15.500   0.3694   14.870   0.4381 0.6255000 0.5731000 
1 1 1   23    7   17 f   6.9730   0.5942   7.3730   0.8438   6.5720   0.8369 0.8009000 1.188000 
1 1 1   23    7   18 o   3.2790   0.7935   3.0070   1.1370   3.5510   1.1070 -0.5444000 1.587000 
1 1 1   23    7   19 o   9.2760   0.3793   8.8960   0.5694   9.6560   0.5013 -0.7600000 0.7586000 
1 1 1   23    7   20 o   3.6160   0.7940   3.3420   1.1520   3.8890   1.0930 -0.5465000 1.588000 
1 1 1   23    7   21 o   5.5010   0.5847   5.8840   0.7150   5.1170   0.9252 0.7668000 1.169000 
1 1 1   23    7   22 o   11.820   0.3136   12.280   0.4370   11.370   0.4500 0.9092000 0.6273000 
1 1 1   23    7   23 o   2.5560   0.7370   2.4520   1.0080   2.6590   1.0760 -0.2067000 1.474000 
1 1 1   23    7   24 o   3.6640   0.7484   4.6060   1.0160   2.7220   1.0990 1.884000 1.497000 
1 1 1   23    7   25 o   5.1250   0.7710   4.4330   1.1120   5.8170   1.0680 -1.384000 1.542000 
1 1 1   23    7   26 o   2.8870   0.6769   4.0370   1.0580   1.7370   0.8451 2.300000 1.354000 
1 1 1   23    7   27 o   2.2870   0.7124   2.4650   1.0400   2.1100   0.9744 0.3555000 1.425000 
1 1 1   23    7   28 o   4.6510   0.8457   4.8780   1.0700   4.4240   1.3100 0.4546000 1.691000 
1 1 1   23    7   29 o   2.3300   0.7494   2.4840   1.0990   2.1770   1.0190 0.3073000 1.499000 
1 1 1   23    9    0 o   21.950   0.2290   22.740   0.3133   21.170   0.3340 1.565000 0.4580000 
1 1 1   23    9    1 o   51.510   0.3478   51.700   0.5398   51.330   0.4388 0.3690000 0.6956000 
1 1 1   23    9    2 o   13.880   0.2153   13.890   0.3039   13.860   0.3050 0.2603000E-01 0.4306000 
1 1 1   23    9    3 o   29.920   0.2500   30.630   0.3523   29.210   0.3547 1.420000 0.5000000 
1 1 1   23    9    4 o   73.790   0.4332   73.770   0.6127   73.800   0.6126 -0.2838000E-01 0.8664000 
1 1 1   23    9    5 o   13.420   0.2088   13.110   0.2979   13.740   0.2925 -0.6378000 0.4175000 
1 1 1   23    9    6 o   19.150   0.1960   18.950   0.2750   19.360   0.2795 -0.4072000 0.3921000 
1 1 1   23    9    7 o   6.5290   0.3962   7.1780   0.5128   5.8800   0.6040 1.297000 0.7923000 
1 1 1   23    9    8 o   8.5600   0.3203   8.9920   0.4416   8.1280   0.4642 0.8646000 0.6407000 
1 1 1   23    9    9 o   19.820   0.2242   19.640   0.3384   19.990   0.2941 -0.3565000 0.4484000 
1 1 1   23    9   10 o   21.890   0.2293   21.920   0.3458   21.850   0.3013 0.7703000E-01 0.4587000 
1 1 1   23    9   11 o   3.7450   0.8665   3.1580   1.2300   4.3320   1.2200 -1.174000 1.733000 
1 1 1   23    9   12 o   2.3500   0.7226   2.3520   1.0300   2.3480   1.0140 0.4482000E-02 1.445000 
1 1 1   23    9   13 o   12.190   0.2994   12.760   0.4258   11.620   0.4210 1.137000 0.5988000 
1 1 1   23    9   14 o   17.570   0.2451   17.770   0.3574   17.370   0.3355 0.3965000 0.4902000 
1 1 1   23    9   15 o   5.7420   0.6591   6.2380   0.8267   5.2450   1.0270 0.9935000 1.318000 
1 1 1   23    9   16 o   9.2030   0.6282  ?   ?    9.2030   0.6282      ?      ? 
1 1 1   23    9   17 o   11.880   0.3099   11.700   0.4556   12.070   0.4201 -0.3673000 0.6197000 
1 1 1   23    9   18 o   8.6350   0.4018   8.7740   0.5802   8.4960   0.5561 0.2776000 0.8037000 
1 1 1   23    9   19 o   4.1690   0.7643   4.1670   1.1100   4.1710   1.0520 -0.3923000E-02 1.529000 
1 1 1   23    9   20 o   3.5470   0.7938   4.0420   1.1270   3.0520   1.1180 0.9899000 1.588000 
1 1 1   23    9   21 o   2.3730   0.7110   2.8270   1.0990   1.9190   0.9020 0.9072000 1.422000 
1 1 1   23    9   22 o   4.2090   0.7562   3.9040   1.1080   4.5130   1.0290 -0.6098000 1.512000 
1 1 1   23    9   23 o   2.0820   0.6843   2.4110   1.0760   1.7530   0.8451 0.6577000 1.369000 
1 1 1   23    9   24 o   2.5540   0.7961   2.8250   1.1860   2.2840   1.0630 0.5414000 1.592000 
1 1 1   23    9   25 o   4.0340   0.7339   3.0360   1.0910   5.0320   0.9816 -1.996000 1.468000 
1 1 1   23    9   26 o   2.9340   0.7856   3.2310   1.1230   2.6370   1.0990 0.5944000 1.571000 
1 1 1   23    9   27 o   3.5540   0.8102   3.5270   1.1180   3.5820   1.1730 -0.5504000E-01 1.620000 
1 1 1   23    9   28 o   2.3360   0.7896   2.0010   0.9762   2.6710   1.2410 -0.6699000 1.579000 
1 1 1   23   11    0 o   42.290   0.2486   41.830   0.3725   42.750   0.3293 -0.9148000 0.4972000 
1 1 1   23   11    1 o   35.760   0.2212   35.880   0.3340   35.640   0.2900 0.2397000 0.4424000 
1 1 1   23   11    2 o   35.470   0.2211   35.610   0.3338   35.330   0.2899 0.2794000 0.4421000 
1 1 1   23   11    3 o   27.900   0.1963   28.170   0.2956   27.630   0.2584 0.5336000 0.3926000 
1 1 1   23   11    4 o   20.740   0.1976   20.850   0.2797   20.620   0.2792 0.2315000 0.3952000 
1 1 1   23   11    5 o   35.540   0.2392   35.900   0.3415   35.180   0.3350 0.7170000 0.4784000 
1 1 1   23   11    6 f   28.770   0.2177   28.600   0.3083   28.940   0.3076 -0.3363000 0.4355000 
1 1 1   23   11    7 o   34.090   0.2612   33.520   0.3959   34.660   0.3409 -1.141000 0.5225000 
1 1 1   23   11    8 o   23.100   0.2333   22.750   0.3497   23.440   0.3088 -0.6844000 0.4666000 
1 1 1   23   11    9 o   12.460   0.2771   12.550   0.3942   12.370   0.3894 0.1782000 0.5542000 
1 1 1   23   11   10 o   18.000   0.4221  ?   ?    18.000   0.4221      ?      ? 
1 1 1   23   11   11 o   5.7680   0.5770   5.3180   0.8991   6.2190   0.7234 -0.9012000 1.154000 
1 1 1   23   11   12 o   9.2090   0.3622   9.2120   0.5306   9.2060   0.4931 0.5759000E-02 0.7243000 
1 1 1   23   11   13 o   16.470   0.2702   16.520   0.3566   16.420   0.4061 0.1009000 0.5404000 
1 1 1   23   11   14 o   12.670   0.3156   13.030   0.4102   12.320   0.4798 0.7079000 0.6313000 
1 1 1   23   11   15 o   7.9000   0.5383   7.4280   0.8486   8.3720   0.6624 -0.9441000 1.077000 
1 1 1   23   11   16 o   13.150   0.2905   13.140   0.4278   13.150   0.3930 -0.1253000E-01 0.5809000 
1 1 1   23   11   17 o   14.000   0.2823   14.500   0.4061   13.510   0.3923 0.9900000 0.5646000 
1 1 1   23   11   18 o   8.0580   0.4293   8.0390   0.6346   8.0770   0.5783 -0.3824000E-01 0.8586000 
1 1 1   23   11   19 o   3.0400   0.8027   3.2300   1.1760   2.8500   1.0930 0.3802000 1.605000 
1 1 1   23   11   20 o   2.3200   0.6995   1.8400   0.8887   2.8000   1.0800 -0.9603000 1.399000 
1 1 1   23   11   21 o   2.6610   0.7628   2.6800   1.0960   2.6420   1.0610 0.3746000E-01 1.526000 
1 1 1   23   11   22 o   5.1850   0.7252   5.2330   1.1280   5.1380   0.9118 0.9514000E-01 1.450000 
1 1 1   23   11   23 o   4.0370   0.9862   4.0890   1.4810   3.9850   1.3020 0.1042000 1.972000 
1 1 1   23   11   24 o   4.1900   0.7913   3.6830   1.1720   4.6970   1.0640 -1.014000 1.583000 
1 1 1   23   11   25 o   3.2360   0.7755   4.0990   1.1480   2.3740   1.0440 1.725000 1.551000 
1 1 1   23   11   26 o   2.2950   0.7251   2.6720   1.1260   1.9190   0.9138 0.7524000 1.450000 
1 1 1   23   11   27 o   3.0220   0.8921   3.6240   1.3600   2.4200   1.1550 1.204000 1.784000 
1 1 1   23   13    0 o   31.330   0.3235   31.370   0.5849   31.280   0.2765 0.8881000E-01 0.6470000 
1 1 1   23   13    1 o   14.290   0.3586   13.860   0.6609   14.720   0.2788 -0.8593000 0.7173000 
1 1 1   23   13    2 o   40.800   0.3734   40.090   0.6692   41.510   0.3315 -1.425000 0.7468000 
1 1 1   23   13    3 o   44.000   0.3122   43.700   0.4792   44.300   0.4002 -0.6009000 0.6243000 
1 1 1   23   13    4 o   16.310   0.2407   16.690   0.3597   15.930   0.3200 0.7626000 0.4814000 
1 1 1   23   13    5 o   24.890   0.2200   25.070   0.3165   24.710   0.3057 0.3655000 0.4400000 
1 1 1   23   13    6 f   15.620   0.2455   15.060   0.3547   16.180   0.3396 -1.123000 0.4911000 
1 1 1   23   13    7 o   29.360   0.2316   29.000   0.3284   29.710   0.3266 -0.7090000 0.4632000 
1 1 1   23   13    8 o   7.7010   0.5775   6.8850   0.8681   8.5170   0.7618 -1.632000 1.155000 
1 1 1   23   13    9 o   13.340   0.2817   13.220   0.4000   13.450   0.3969 -0.2331000 0.5635000 
1 1 1   23   13   10 o   21.980   0.2292   21.960   0.3258   21.990   0.3223 -0.3155000E-01 0.4583000 
1 1 1   23   13   11 o   21.700   0.2505   21.810   0.3301   21.590   0.3769 0.2130000 0.5010000 
1 1 1   23   13   12 o   12.730   0.3111   12.880   0.4127   12.580   0.4658 0.2989000 0.6223000 
1 1 1   23   13   13 o   31.540   0.2457   31.610   0.3511   31.470   0.3439 0.1389000 0.4915000 
1 1 1   23   13   14 o   3.1240   0.7936   2.2040   1.0390   4.0440   1.2000 -1.840000 1.587000 
1 1 1   23   13   15 o   4.7620   0.6972   4.6350   1.0390   4.8890   0.9300 -0.2547000 1.394000 
1 1 1   23   13   16 o   9.9910   0.3547   9.4290   0.5454   10.550   0.4536 -1.124000 0.7094000 
1 1 1   23   13   17 o   4.1380   0.7597   4.5550   1.0590   3.7210   1.0900 0.8332000 1.519000 
1 1 1   23   13   18 o   5.4120   0.6211   5.0730   0.9739   5.7500   0.7713 -0.6763000 1.242000 
1 1 1   23   13   19 o   2.7040   0.7599   3.1850   1.1600   2.2240   0.9815 0.9618000 1.520000 
1 1 1   23   13   20 o   7.9100   0.4381   7.5420   0.6737   8.2790   0.5603 -0.7362000 0.8762000 
1 1 1   23   13   21 o   3.6570   0.8210   3.6880   1.2130   3.6250   1.1060 0.6254000E-01 1.642000 
1 1 1   23   13   22 o   3.5880   0.9060   3.9570   1.3030   3.2190   1.2590 0.7377000 1.812000 
1 1 1   23   13   23 f   3.7160   0.8110   4.0770   1.1390   3.3540   1.1540 0.7234000 1.622000 
1 1 1   23   13   24 f   1.8580   0.6273   1.5970   0.7928   2.1200   0.9723 -0.5231000 1.255000 
1 1 1   23   13   25 o   2.3320   0.7274   1.9070   0.9142   2.7560   1.1320 -0.8486000 1.455000 
1 1 1   23   13   26 o   3.1570   0.8457   2.3660   1.0640   3.9470   1.3150 -1.580000 1.691000 
1 1 1   23   13   27 o   1.8890   0.9407   1.8890   0.9407  ?   ?       ?      ? 
1 1 1   23   15    0 o   12.780   0.2382   12.580   0.3482   12.990   0.3252 -0.4150000 0.4765000 
1 1 1   23   15    1 o   9.7470   0.3223   9.5580   0.5027   9.9350   0.4035 -0.3761000 0.6446000 
1 1 1   23   15    2 o   23.930   0.3353   23.890   0.6122   23.980   0.2737 -0.9127000E-01 0.6706000 
1 1 1   23   15    3 o   36.560   0.3664   36.210   0.6619   36.910   0.3147 -0.7071000 0.7329000 
1 1 1   23   15    4 o   15.010   0.4030   14.940   0.7424   15.090   0.3140 -0.1539000 0.8061000 
1 1 1   23   15    5 o   10.570   0.4004   9.4030   0.6583   11.730   0.4561 -2.327000 0.8009000 
1 1 1   23   15    6 o   5.4330   0.7460   4.4820   1.2410   6.3830   0.8290 -1.901000 1.492000 
1 1 1   23   15    7 o   7.9560   0.4235   7.5770   0.6216   8.3340   0.5754 -0.7573000 0.8470000 
1 1 1   23   15    8 o   13.160   0.2842   13.080   0.4074   13.240   0.3963 -0.1578000 0.5683000 
1 1 1   23   15    9 o   7.8040   0.4566   7.6260   0.6225   7.9820   0.6682 -0.3563000 0.9133000 
1 1 1   23   15   10 o   26.610   0.2573   26.440   0.3348   26.790   0.3907 -0.3525000 0.5146000 
1 1 1   23   15   11 o   3.7350   0.7927   4.0710   1.1020   3.4000   1.1400 0.6710000 1.585000 
1 1 1   23   15   12 o   6.1670   0.7163   5.5650   1.1610   6.7700   0.8392 -1.205000 1.433000 
1 1 1   23   15   13 o   3.3930   0.7642   2.6330   1.0830   4.1540   1.0780 -1.521000 1.528000 
1 1 1   23   15   14 f   8.8430   0.3985   8.4690   0.5932   9.2170   0.5322 -0.7485000 0.7970000 
1 1 1   23   15   15 o   4.1250   0.7660   4.3690   1.0740   3.8810   1.0930 0.4879000 1.532000 
1 1 1   23   15   16 o   3.9910   0.7807   4.0720   1.1220   3.9110   1.0860 0.1609000 1.561000 
1 1 1   23   15   17 o   7.2620   0.4658   7.4910   0.6677   7.0320   0.6497 0.4596000 0.9316000 
1 1 1   23   15   18 o   4.3440   0.7842   3.7320   1.1490   4.9550   1.0680 -1.223000 1.568000 
1 1 1   23   15   19 o   12.320   0.3120   12.430   0.4619   12.200   0.4194 0.2247000 0.6239000 
1 1 1   23   15   20 o   2.6050   0.7810   3.0870   1.2340   2.1220   0.9575 0.9649000 1.562000 
1 1 1   23   15   21 o   2.1390   0.7176   1.9160   0.9344   2.3610   1.0890 -0.4451000 1.435000 
1 1 1   23   15   22 o   4.1310   0.6851   2.5310   1.0780   5.7310   0.8460 -3.201000 1.370000 
1 1 1   23   15   23 o   1.8490   0.6267   1.9640   0.9289   1.7340   0.8414 0.2302000 1.253000 
1 1 1   23   15   24 o   6.2080   0.5933   6.3380   0.8217   6.0790   0.8559 0.2597000 1.187000 
1 1 1   23   15   25 o   2.9060   0.8377   2.8090   1.1460   3.0040   1.2220 -0.1952000 1.675000 
1 1 1   23   17    0 o   14.650   0.2689   14.620   0.3755   14.670   0.3850 -0.5320000E-01 0.5379000 
1 1 1   23   17    1 f   8.0080   0.4872   7.5040   0.7740   8.5110   0.5919 -1.007000 0.9744000 
1 1 1   23   17    2 o   5.6610   0.6968   4.7650   1.1730   6.5570   0.7524 -1.792000 1.394000 
1 1 1   23   17    3 o   12.530   0.2888   12.720   0.4503   12.350   0.3617 0.3727000 0.5776000 
1 1 1   23   17    4 o   8.5140   0.3913   8.1900   0.5754   8.8380   0.5303 -0.6483000 0.7825000 
1 1 1   23   17    5 o   13.240   0.4640   13.080   0.8415   13.400   0.3914 -0.3195000 0.9281000 
1 1 1   23   17    6 o   5.0750   0.9506   5.1720   1.6470   4.9780   0.9492 0.1939000 1.901000 
1 1 1   23   17    7 o   4.3730   0.9408   4.1860   1.6400   4.5590   0.9232 -0.3723000 1.882000 
1 1 1   23   17    8 o   2.3110   0.7114   2.2570   1.0120   2.3650   1.0000 -0.1081000 1.423000 
1 1 1   23   17    9 o   7.0260   0.4985   6.8350   0.7247   7.2180   0.6847 -0.3832000 0.9970000 
1 1 1   23   17   10 o   6.7090   0.6919   5.4630   1.1770   7.9540   0.7279 -2.490000 1.384000 
1 1 1   23   17   11 o   6.9780   0.4901   7.0830   0.6927   6.8730   0.6936 0.2105000 0.9803000 
1 1 1   23   17   12 f   5.0370   0.6940   4.6330   1.0610   5.4410   0.8948 -0.8079000 1.388000 
1 1 1   23   17   13 o   2.9350   0.7785   2.5090   1.0660   3.3600   1.1350 -0.8505000 1.557000 
1 1 1   23   17   14 o   3.7960   0.7980   4.0480   1.1230   3.5430   1.1340 0.5051000 1.596000 
1 1 1   23   17   15 o   8.1820   0.4289   8.7310   0.5903   7.6320   0.6223 1.099000 0.8578000 
1 1 1   23   17   16 o   2.6270   0.7306   2.0540   0.9538   3.1990   1.1070 -1.144000 1.461000 
1 1 1   23   17   17 o   3.5660   0.7622   4.3940   1.0730   2.7370   1.0830 1.657000 1.524000 
1 1 1   23   17   18 o   4.6300   0.7955   4.4040   1.2780   4.8570   0.9476 -0.4528000 1.591000 
1 1 1   23   17   19 o   5.3940   0.6730   6.3080   0.8615   4.4790   1.0340 1.829000 1.346000 
1 1 1   23   17   20 o   2.8810   0.8612   2.9690   1.2360   2.7930   1.1990 0.1761000 1.722000 
1 1 1   23   17   21 o   2.4220   0.7050   3.2730   1.1770   1.5710   0.7766 1.702000 1.410000 
1 1 1   23   17   22 o   2.1940   0.7020   2.4960   1.0770   1.8910   0.9005 0.6052000 1.404000 
1 1 1   23   17   23 o   1.9000   0.6470   1.9170   0.9151   1.8820   0.9148 0.3418000E-01 1.294000 
1 1 1   23   17   24 o   1.9360   0.6715   1.9800   0.9748   1.8920   0.9239 0.8772000E-01 1.343000 
1 1 1   23   19    0 o   9.2750   0.3260   8.8510   0.4796   9.7000   0.4418 -0.8487000 0.6521000 
1 1 1   23   19    1 o   10.840   0.3163   10.330   0.4943   11.340   0.3948 -1.003000 0.6326000 
1 1 1   23   19    2 o   2.8810   0.7672   2.8940   1.1130   2.8690   1.0560 0.2486000E-01 1.534000 
1 1 1   23   19    3 o   10.340   0.3185   10.190   0.4776   10.500   0.4214 -0.3076000 0.6369000 
1 1 1   23   19    4 o   18.510   0.2305   18.720   0.3433   18.300   0.3078 0.4215000 0.4611000 
1 1 1   23   19    5 o   12.390   0.2823   12.430   0.4182   12.350   0.3793 0.8588000E-01 0.5646000 
1 1 1   23   19    6 o   7.5340   0.5397   7.2090   0.8715   7.8580   0.6369 -0.6494000 1.079000 
1 1 1   23   19    7 o   9.7800   0.4346   9.3220   0.7156   10.240   0.4936 -0.9150000 0.8693000 
1 1 1   23   19    8 o   11.040   0.5574   10.050   1.0440   12.040   0.3901 -1.983000 1.115000 
1 1 1   23   19    9 o   12.530   0.4850   12.260   0.8980   12.800   0.3665 -0.5388000 0.9699000 
1 1 1   23   19   10 o   3.2140   0.9594   4.2180   1.6430   2.2090   0.9902 2.010000 1.919000 
1 1 1   23   19   11 o   2.6720   0.7372   3.5760   1.2010   1.7690   0.8550 1.807000 1.474000 
1 1 1   23   19   12 o   7.1040   0.5118   7.7970   0.6443   6.4100   0.7954 1.386000 1.024000 
1 1 1   23   19   13 o   3.2260   0.8143   3.4500   1.1680   3.0020   1.1350 0.4487000 1.629000 
1 1 1   23   19   14 o   5.4110   0.6580   4.7110   1.0460   6.1100   0.7981 -1.399000 1.316000 
1 1 1   23   19   15 o   8.7420   0.4101   8.5650   0.6068   8.9200   0.5518 -0.3550000 0.8202000 
1 1 1   23   19   16 o   2.0340   0.6781   2.1350   1.0070   1.9340   0.9081 0.2003000 1.356000 
1 1 1   23   19   17 o   1.9410   0.6450   1.8470   0.8922   2.0360   0.9317 -0.1893000 1.290000 
1 1 1   23   19   18 o   3.7550   0.8738   2.6030   1.1660   4.9070   1.3020 -2.303000 1.748000 
1 1 1   23   19   19 o   2.2180   0.7090   2.5240   1.0940   1.9120   0.9026 0.6121000 1.418000 
1 1 1   23   19   20 o   2.9530   0.7670   2.1830   1.0070   3.7240   1.1570 -1.541000 1.534000 
1 1 1   23   19   21 o   2.3050   0.7410   2.2110   1.0150   2.3990   1.0800 -0.1880000 1.482000 
1 1 1   23   19   22 o   2.1950   0.7191   2.2240   1.0170   2.1660   1.0170 0.5826000E-01 1.438000 
1 1 1   23   21    0 o   9.3490   0.3829   9.2670   0.5417   9.4320   0.5414 -0.1641000 0.7658000 
1 1 1   23   21    1 o   11.710   0.3805   11.770   0.6024   11.650   0.4650 0.1224000 0.7610000 
1 1 1   23   21    2 o   7.0320   0.5909   6.7140   0.9618   7.3500   0.6865 -0.6353000 1.182000 
1 1 1   23   21    3 o   2.5980   0.7702   3.2290   1.2340   1.9660   0.9214 1.263000 1.540000 
1 1 1   23   21    4 o  10.0000   0.3359   9.3970   0.5221   10.600   0.4227 -1.206000 0.6718000 
1 1 1   23   21    5 o   7.8380   0.4068   8.1410   0.5917   7.5360   0.5583 0.6059000 0.8135000 
1 1 1   23   21    6 o   12.830   0.2794   12.730   0.4216   12.930   0.3669 -0.2018000 0.5589000 
1 1 1   23   21    7 o   2.2790   0.6986   2.5530   1.0660   2.0040   0.9029 0.5491000 1.397000 
1 1 1   23   21    8 o   3.0600   0.7136   2.3270   1.0270   3.7930   0.9913 -1.466000 1.427000 
1 1 1   23   21    9 o   3.3830   0.7863   3.3540   1.1750   3.4110   1.0450 -0.5654000E-01 1.573000 
1 1 1   23   21   10 o   3.2390   0.7019   2.2790   1.0210   4.1980   0.9633 -1.920000 1.404000 
1 1 1   23   21   11 o   3.9970   0.8203   3.1280   1.3950   4.8660   0.8629 -1.738000 1.641000 
1 1 1   23   21   12 o   4.4180   0.8622   3.3320   1.4790   5.5040   0.8869 -2.172000 1.724000 
1 1 1   23   21   13 o   3.7330   1.1820  ?   ?    3.7330   1.1820      ?      ? 
1 1 1   23   21   14 o   2.7650   0.8808   2.9000   1.3710   2.6300   1.1050 0.2696000 1.762000 
1 1 1   23   21   15 f   3.8080   0.8451   4.0050   1.1940   3.6110   1.1970 0.3935000 1.690000 
1 1 1   23   21   16 o   2.5340   0.8034   2.8500   1.2140   2.2190   1.0530 0.6304000 1.607000 
1 1 1   23   21   17 o   3.0060   0.7810   2.4150   1.0620   3.5980   1.1460 -1.182000 1.562000 
1 1 1   23   21   18 o   2.3900   0.7171   1.8210   0.8829   2.9590   1.1300 -1.138000 1.434000 
1 1 1   23   21   19 o   1.9410   0.6581   2.1540   1.0020   1.7270   0.8532 0.4273000 1.316000 
1 1 1   23   21   20 o   2.6190   0.7988   2.6480   1.1270   2.5910   1.1330 0.5738000E-01 1.598000 
1 1 1   23   23    0 o   6.2900   0.4675   6.2480   0.6609   6.3320   0.6614 -0.8405000E-01 0.9350000 
1 1 1   23   23    1 o   2.8110   0.7340   2.2680   1.0130   3.3550   1.0620 -1.087000 1.468000 
1 1 1   23   23    2 o   13.480   0.2820   13.250   0.4352   13.710   0.3586 -0.4584000 0.5639000 
1 1 1   23   23    3 o   3.4510   0.7600   3.0770   1.1280   3.8250   1.0190 -0.7480000 1.520000 
1 1 1   23   23    4 o   9.9690   0.3329   10.170   0.4983   9.7650   0.4417 0.4083000 0.6659000 
1 1 1   23   23    5 o   5.5160   0.5957   5.4530   0.9212   5.5790   0.7555 -0.1261000 1.191000 
1 1 1   23   23    6 o   5.8560   0.5407   6.1920   0.7740   5.5210   0.7553 0.6706000 1.081000 
1 1 1   23   23    7 f   9.1400   0.3621   9.0060   0.5532   9.2730   0.4674 -0.2675000 0.7242000 
1 1 1   23   23    8 o   12.930   0.3211   13.330   0.5125   12.540   0.3869 0.7900000 0.6421000 
1 1 1   23   23    9 o   9.8020   0.4031   9.7550   0.6178   9.8490   0.5179 -0.9397000E-01 0.8062000 
1 1 1   23   23   10 f   3.4590   0.7988   4.5260   1.2210   2.3930   1.0310 2.133000 1.598000 
1 1 1   23   23   11 o   2.7260   0.7702   2.8910   1.1450   2.5610   1.0300 0.3301000 1.540000 
1 1 1   23   23   12 o   2.3560   0.7247   2.4630   1.0680   2.2490   0.9798 0.2141000 1.449000 
1 1 1   23   23   13 o   6.8190   0.6221   6.6190   0.9642   7.0190   0.7863 -0.3998000 1.244000 
1 1 1   23   23   14 o   3.6580   0.9596   3.8270   1.3300   3.4890   1.3840 0.3373000 1.919000 
1 1 1   23   23   15 o   3.2540   0.9756   3.8900   1.6070   2.6170   1.1070 1.273000 1.951000 
1 1 1   23   23   16 o   3.0530   0.8273   2.2170   1.1090   3.8900   1.2280 -1.673000 1.655000 
1 1 1   23   23   17 o   2.5490   0.8547   2.7290   1.3100   2.3700   1.0980 0.3591000 1.709000 
1 1 1   23   23   18 o   2.2000   0.7344   2.7110   1.2080   1.6890   0.8348 1.022000 1.469000 
1 1 1   23   25    0 o   11.960   0.3144   11.770   0.4428   12.150   0.4463 -0.3790000 0.6287000 
1 1 1   23   25    1 o   3.9570   0.8275   3.4240   1.2750   4.4890   1.0550 -1.065000 1.655000 
1 1 1   23   25    2 o   6.0360   0.6480   5.8920   1.0390   6.1800   0.7749 -0.2872000 1.296000 
1 1 1   23   25    3 o   5.2850   0.7208   5.6020   1.0680   4.9670   0.9685 0.6348000 1.442000 
1 1 1   23   25    4 o   3.6630   0.8299   3.4980   1.2190   3.8280   1.1270 -0.3297000 1.660000 
1 1 1   23   25    5 o   3.2130   0.7841   3.3400   1.1510   3.0860   1.0650 0.2534000 1.568000 
1 1 1   23   25    6 o   4.8490   0.6738   5.5970   0.9028   4.1020   1.0010 1.495000 1.348000 
1 1 1   23   25    7 o   2.0490   0.6627   2.0270   0.9468   2.0710   0.9276 -0.4402000E-01 1.325000 
1 1 1   23   25    8 o   2.2960   0.7116   2.5650   1.0850   2.0260   0.9207 0.5394000 1.423000 
1 1 1   23   25    9 o   1.7980   0.6074   1.6330   0.8071   1.9630   0.9080 -0.3303000 1.215000 
1 1 1   23   25   10 o   2.0610   0.6934   2.3430   1.0820   1.7780   0.8678 0.5653000 1.387000 
1 1 1   23   25   11 o   2.2700   0.7317   2.4790   1.1250   2.0600   0.9366 0.4189000 1.463000 
1 1 1   23   25   12 o   2.0640   0.6743   2.1980   1.0070   1.9290   0.8970 0.2696000 1.349000 
1 1 1   23   25   13 o   2.0560   0.6740   1.7210   0.8484   2.3910   1.0480 -0.6693000 1.348000 
1 1 1   23   25   14 o   4.9400   0.7477   6.1030   0.9150   3.7760   1.1830 2.327000 1.495000 
1 1 1   23   25   15 o   3.6670   0.8270   3.6580   1.2090   3.6760   1.1290 -0.1708000E-01 1.654000 
1 1 1   23   27    0 o   2.7670   0.7511   2.8260   1.0710   2.7090   1.0530 0.1168000 1.502000 
1 1 1   23   27    1 o   6.6340   0.5688   5.5690   0.9759   7.6990   0.5845 -2.130000 1.138000 
1 1 1   23   27    2 f   2.3120   0.7234   2.4560   1.0800   2.1680   0.9626 0.2887000 1.447000 
1 1 1   23   27    3 o   6.0080   0.5879   5.7440   0.9484   6.2720   0.6949 -0.5280000 1.176000 
1 1 1   23   27    4 o   2.4740   0.7578   2.3890   1.0490   2.5590   1.0940 -0.1703000 1.516000 
1 1 1   23   27    5 o   4.9510   0.7993   5.5160   1.1610   4.3870   1.0990 1.130000 1.599000 
1 1 1   23   27    6 o   2.1890   0.7197   2.6180   1.1580   1.7600   0.8556 0.8579000 1.439000 
1 1 1   23   27    7 o   5.9100   0.5937   6.1530   0.8758   5.6680   0.8017 0.4845000 1.187000 
1 1 1   23   27    8 o   8.0740   0.4737   7.3100   0.7302   8.8380   0.6037 -1.528000 0.9474000 
1 1 1   23   27    9 o   3.6420   0.8337   4.0530   1.1850   3.2300   1.1740 0.8233000 1.667000 
1 1 1   23   27   10 o   6.4160   0.5850   6.6010   0.8282   6.2310   0.8263 0.3697000 1.170000 
1 1 1   23   27   11 o   2.5880   0.7603   2.4220   1.0690   2.7530   1.0820 -0.3309000 1.521000 
1 1 1   23   29    0 o   1.6920   0.5871   1.6110   0.7985   1.7730   0.8608 -0.1619000 1.174000 
1 1 1   23   29    1 o   2.3930   0.7233   1.7930   0.8749   2.9930   1.1520 -1.200000 1.447000 
1 1 1   23   29    2 f   2.1420   0.7002   2.2710   1.0320   2.0140   0.9466 0.2568000 1.400000 
1 1 1   23   29    3 f   2.0300   0.6722   2.0990   0.9756   1.9600   0.9251 0.1395000 1.344000 
1 1 1   23   29    4 o   3.5740   0.7934   3.4350   1.1690   3.7120   1.0730 -0.2776000 1.587000 
1 1 1   23   29    5 o   2.3460   0.7169   2.7380   1.1140   1.9540   0.9023 0.7837000 1.434000 
1 1 1   24    0    0 o   18.210   0.3270   18.210   0.3270   18.210   0.3270 0.000000 0.000000 
1 1 1   24    0    1 o   3.8590   0.6331   3.8590   0.6331   3.8590   0.6331 0.000000 0.000000 
1 1 1   24    0    2 o   10.580   0.2154   10.580   0.2154   10.580   0.2154 0.000000 0.000000 
1 1 1   24    0    3 o   3.9180   0.5566   3.9180   0.5566   3.9180   0.5566 0.000000 0.000000 
1 1 1   24    0    4 o   10.230   0.2501   10.230   0.2501   10.230   0.2501 0.000000 0.000000 
1 1 1   24    0    5 o   31.430   0.5021   31.430   0.5021   31.430   0.5021 0.000000 0.000000 
1 1 1   24    0    6 o   24.800   0.2545   24.800   0.2545   24.800   0.2545 0.000000 0.000000 
1 1 1   24    0    7 o   44.470   0.3832   44.470   0.3832   44.470   0.3832 0.000000 0.000000 
1 1 1   24    0    8 o   24.520   0.2646   24.520   0.2646   24.520   0.2646 0.000000 0.000000 
1 1 1   24    0    9 o   50.030   0.4289   50.030   0.4289   50.030   0.4289 0.000000 0.000000 
1 1 1   24    0   10 o   7.6300   0.4757   7.6300   0.4757   7.6300   0.4757 0.000000 0.000000 
1 1 1   24    0   11 o   33.210   0.3219   33.210   0.3219   33.210   0.3219 0.000000 0.000000 
1 1 1   24    0   12 o   9.7640   0.4305   9.7640   0.4305   9.7640   0.4305 0.000000 0.000000 
1 1 1   24    0   13 o   26.290   0.3703   26.290   0.3703   26.290   0.3703 0.000000 0.000000 
1 1 1   24    0   14 o   5.8290   0.8031   5.8290   0.8031   5.8290   0.8031 0.000000 0.000000 
1 1 1   24    0   15 o   1.6720   1.0900   1.6720   1.0900   1.6720   1.0900 0.000000 0.000000 
1 1 1   24    0   16 o   2.7380   1.3620   2.7380   1.3620   2.7380   1.3620 0.000000 0.000000 
1 1 1   24    0   17 o   20.810   0.3210   20.810   0.3210   20.810   0.3210 0.000000 0.000000 
1 1 1   24    0   18 o   13.890   0.7023   13.890   0.7023   13.890   0.7023 0.000000 0.000000 
1 1 1   24    0   19 o   4.5970   1.1730   4.5970   1.1730   4.5970   1.1730 0.000000 0.000000 
1 1 1   24    0   20 o   1.7080   1.1030   1.7080   1.1030   1.7080   1.1030 0.000000 0.000000 
1 1 1   24    0   21 o   2.5900   1.3340   2.5900   1.3340   2.5900   1.3340 0.000000 0.000000 
1 1 1   24    0   22 o   7.2040   0.6867   7.2040   0.6867   7.2040   0.6867 0.000000 0.000000 
1 1 1   24    0   23 o   4.6980   1.1840   4.6980   1.1840   4.6980   1.1840 0.000000 0.000000 
1 1 1   24    0   24 o   2.8890   1.3760   2.8890   1.3760   2.8890   1.3760 0.000000 0.000000 
1 1 1   24    0   25 o   5.5470   1.1940   5.5470   1.1940   5.5470   1.1940 0.000000 0.000000 
1 1 1   24    0   26 o   1.4950   1.0230   1.4950   1.0230   1.4950   1.0230 0.000000 0.000000 
1 1 1   24    0   27 o   2.4950   1.3710   2.4950   1.3710   2.4950   1.3710 0.000000 0.000000 
1 1 1   24    0   28 o   1.4640   1.0070   1.4640   1.0070   1.4640   1.0070 0.000000 0.000000 
1 1 1   24    0   29 o   1.7060   1.2150   1.7060   1.2150   1.7060   1.2150 0.000000 0.000000 
1 1 1   24    2    0 o   12.040   0.1592   11.920   0.2280   12.160   0.2224 -0.2427000 0.3184000 
1 1 1   24    2    1 o   43.820   0.2592   43.710   0.3658   43.930   0.3673 -0.2250000 0.5184000 
1 1 1   24    2    2 o   12.570   0.1666   12.450   0.2668   12.700   0.1995 -0.2490000 0.3332000 
1 1 1   24    2    3 o   11.610   0.1547   12.020   0.2139   11.200   0.2235 0.8153000 0.3094000 
1 1 1   24    2    4 o   15.590   0.1667   15.660   0.2166   15.510   0.2534 0.1431000 0.3334000 
1 1 1   24    2    5 o   5.5790   0.4058   5.9200   0.5173   5.2370   0.6253 0.6840000 0.8116000 
1 1 1   24    2    6 o   25.830   0.1833   25.720   0.2594   25.940   0.2589 -0.2211000 0.3665000 
1 1 1   24    2    7 o   11.890   0.1970   11.900   0.2815   11.880   0.2758 0.1772000E-01 0.3940000 
1 1 1   24    2    8 o   38.270   0.2424   38.720   0.3467   37.820   0.3388 0.8997000 0.4848000 
1 1 1   24    2    9 o   22.910   0.1762   23.160   0.2324   22.670   0.2649 0.4957000 0.3524000 
1 1 1   24    2   10 o   12.950   0.2083   13.080   0.2713   12.830   0.3162 0.2416000 0.4166000 
1 1 1   24    2   11 o   21.130   0.1863   21.320   0.2458   20.940   0.2799 0.3845000 0.3725000 
1 1 1   24    2   12 f   28.850   0.2035   28.620   0.2655   29.080   0.3085 -0.4623000 0.4070000 
1 1 1   24    2   13 o   23.580   0.2623   23.590   0.3669   23.580   0.3749 0.1484000E-02 0.5246000 
1 1 1   24    2   14 o   11.000   0.2921   10.840   0.3796   11.150   0.4441 -0.3146000 0.5842000 
1 1 1   24    2   15 o   5.1150   0.6096   4.5570   0.8888   5.6730   0.8345 -1.115000 1.219000 
1 1 1   24    2   16 o   6.9590   0.4540   7.2590   0.5569   6.6580   0.7172 0.6008000 0.9081000 
1 1 1   24    2   17 f   10.710   0.3089   10.680   0.4083   10.730   0.4636 -0.4941000E-01 0.6178000 
1 1 1   24    2   18 o   3.1350   0.9243   2.5160   1.1270   3.7540   1.4650 -1.238000 1.849000 
1 1 1   24    2   19 o   4.6410   0.6713   4.1050   0.9940   5.1780   0.9025 -1.073000 1.343000 
1 1 1   24    2   20 o   7.5100   0.4171   7.7800   0.5245   7.2400   0.6486 0.5406000 0.8342000 
1 1 1   24    2   21 o   8.2050   0.4058   8.1470   0.5698   8.2630   0.5779 -0.1156000 0.8116000 
1 1 1   24    2   22 o   5.4390   0.6173   5.3520   0.8706   5.5270   0.8754 -0.1756000 1.235000 
1 1 1   24    2   23 f   5.2020   0.6488   4.8550   0.9749   5.5490   0.8563 -0.6943000 1.298000 
1 1 1   24    2   24 o   6.8820   0.4879   6.9300   0.6792   6.8340   0.7006 0.9663000E-01 0.9758000 
1 1 1   24    2   25 o   2.8740   0.8339   3.1730   1.2240   2.5750   1.1330 0.5983000 1.668000 
1 1 1   24    2   26 o   2.0990   0.6840   2.0120   0.9408   2.1850   0.9932 -0.1729000 1.368000 
1 1 1   24    2   27 o   3.4910   0.8400   3.8530   1.2050   3.1290   1.1710 0.7242000 1.680000 
1 1 1   24    2   28 o   1.8170   0.6214   1.8200   0.8797   1.8140   0.8779 0.5626000E-02 1.243000 
1 1 1   24    2   29 o   2.2980   0.7987   2.5770   1.2380   2.0190   1.0100 0.5583000 1.597000 
1 1 1   24    4    0 f   17.300   0.1754   17.550   0.2494   17.060   0.2466 0.4915000 0.3507000 
1 1 1   24    4    1 o   21.620   0.1541   21.410   0.2155   21.840   0.2205 -0.4256000 0.3083000 
1 1 1   24    4    2 o   15.060   0.1442   14.770   0.2037   15.350   0.2041 -0.5778000 0.2884000 
1 1 1   24    4    3 o   11.820   0.1973   11.490   0.3009   12.150   0.2552 -0.6620000 0.3945000 
1 1 1   24    4    4 o   18.200   0.1606   18.450   0.2296   17.950   0.2246 0.5072000 0.3213000 
1 1 1   24    4    5 o   3.3640   0.6260   2.7890   0.9453   3.9390   0.8209 -1.150000 1.252000 
1 1 1   24    4    6 o   45.330   0.2755   45.200   0.3894   45.460   0.3898 -0.2578000 0.5510000 
1 1 1   24    4    7 o   43.500   0.2677   43.640   0.3802   43.360   0.3771 0.2771000 0.5355000 
1 1 1   24    4    8 o   74.390   0.4359   74.770   0.6196   74.020   0.6132 0.7462000 0.8717000 
1 1 1   24    4    9 o   30.130   0.2342   30.750   0.3628   29.510   0.2964 1.238000 0.4685000 
1 1 1   24    4   10 o   31.680   0.2206   31.930   0.3142   31.420   0.3099 0.5081000 0.4413000 
1 1 1   24    4   11 o   21.340   0.2005   21.250   0.2855   21.430   0.2816 -0.1854000 0.4010000 
1 1 1   24    4   12 o   7.7140   0.4048   8.0480   0.5870   7.3800   0.5577 0.6685000 0.8097000 
1 1 1   24    4   13 o   6.5020   0.6307   5.6710   0.9986   7.3330   0.7708 -1.661000 1.261000 
1 1 1   24    4   14 o   14.760   0.2545   14.970   0.3510   14.550   0.3686 0.4213000 0.5090000 
1 1 1   24    4   15 o   10.730   0.3039   10.800   0.4025   10.660   0.4555 0.1415000 0.6079000 
1 1 1   24    4   16 o   17.600   0.2263   17.670   0.2960   17.530   0.3424 0.1422000 0.4526000 
1 1 1   24    4   17 o   6.0130   0.6780   7.3970   0.6616   4.6280   1.1840 2.769000 1.356000 
1 1 1   24    4   18 o   14.650   0.3015   14.370   0.3983   14.920   0.4528 -0.5526000 0.6030000 
1 1 1   24    4   19 o   14.060   0.2568   14.000   0.3458   14.110   0.3797 -0.1130000 0.5136000 
1 1 1   24    4   20 o   10.100   0.3209   10.100   0.4293   10.100   0.4771 -0.2395000E-02 0.6418000 
1 1 1   24    4   21 o   6.8380   0.4686   7.3960   0.5571   6.2810   0.7537 1.115000 0.9372000 
1 1 1   24    4   22 o   7.8400   0.4020   7.8840   0.5292   7.7950   0.6052 0.8883000E-01 0.8040000 
1 1 1   24    4   23 o   3.5740   0.7678   3.6690   1.0380   3.4780   1.1310 0.1914000 1.536000 
1 1 1   24    4   24 o   7.0900   0.4588   7.6150   0.5441   6.5660   0.7388 1.049000 0.9176000 
1 1 1   24    4   25 o   3.3410   0.8781   3.5930   1.2620   3.0890   1.2220 0.5035000 1.756000 
1 1 1   24    4   26 o   6.2420   0.5382   6.1050   0.7281   6.3790   0.7929 -0.2740000 1.076000 
1 1 1   24    4   27 o   2.2650   0.6977   2.6230   1.0590   1.9080   0.9086 0.7156000 1.395000 
1 1 1   24    4   28 o   2.4150   0.7400   2.6790   1.0690   2.1500   1.0230 0.5283000 1.480000 
1 1 1   24    4   29 o   2.0340   0.7102   2.1170   1.0280   1.9510   0.9806 0.1660000 1.420000 
1 1 1   24    6    0 o   6.7530   0.2210   6.8840   0.3130   6.6220   0.3121 0.2616000 0.4420000 
1 1 1   24    6    1 o   21.610   0.1948   22.070   0.2879   21.140   0.2623 0.9329000 0.3895000 
1 1 1   24    6    2 o   27.720   0.2122   27.230   0.2609   28.200   0.3347 -0.9724000 0.4243000 
1 1 1   24    6    3 f   26.240   0.1839   26.090   0.2586   26.390   0.2615 -0.3027000 0.3678000 
1 1 1   24    6    4 o   28.820   0.2427   28.640   0.3433   29.010   0.3432 -0.3763000 0.4855000 
1 1 1   24    6    5 o   18.420   0.1870   18.290   0.2476   18.560   0.2804 -0.2697000 0.3741000 
1 1 1   24    6    6 o   22.660   0.1836   22.790   0.2635   22.540   0.2559 0.2435000 0.3673000 
1 1 1   24    6    7 o   18.970   0.1861   19.190   0.2663   18.740   0.2600 0.4554000 0.3722000 
1 1 1   24    6    8 o   17.900   0.1938   17.920   0.2781   17.880   0.2701 0.3506000E-01 0.3877000 
1 1 1   24    6    9 o   32.610   0.2254   32.830   0.3223   32.390   0.3154 0.4392000 0.4509000 
1 1 1   24    6   10 o   11.490   0.2568   11.890   0.3565   11.080   0.3697 0.8098000 0.5136000 
1 1 1   24    6   11 o   38.240   0.2792   38.080   0.4280   38.400   0.3585 -0.3176000 0.5583000 
1 1 1   24    6   12 o   29.030   0.2826   29.160   0.4098   28.910   0.3892 0.2481000 0.5652000 
1 1 1   24    6   13 o   13.850   0.3311   14.120   0.4728   13.580   0.4638 0.5440000 0.6623000 
1 1 1   24    6   14 o   23.330   0.2247   23.310   0.3207   23.350   0.3147 -0.4586000E-01 0.4493000 
1 1 1   24    6   15 o   14.100   0.2668   14.820   0.3688   13.380   0.3857 1.447000 0.5337000 
1 1 1   24    6   16 o   8.3170   0.4340   8.2040   0.5865   8.4300   0.6400 -0.2260000 0.8681000 
1 1 1   24    6   17 o   5.7640   0.7456   6.6240   0.9530   4.9050   1.1470 1.719000 1.491000 
1 1 1   24    6   18 o   3.6100   0.7658   4.4160   1.0730   2.8030   1.0930 1.613000 1.532000 
1 1 1   24    6   19 o   14.080   0.2585   14.100   0.3483   14.070   0.3820 0.3498000E-01 0.5170000 
1 1 1   24    6   20 o   12.980   0.2730   13.270   0.3558   12.690   0.4140 0.5819000 0.5459000 
1 1 1   24    6   21 o   4.7620   0.6486   4.9490   0.8336   4.5760   0.9939 0.3737000 1.297000 
1 1 1   24    6   22 o   2.2290   0.6867   2.4260   1.0050   2.0320   0.9358 0.3939000 1.373000 
1 1 1   24    6   23 o   3.4220   0.6539   1.9460   0.8912   4.8970   0.9572 -2.951000 1.308000 
1 1 1   24    6   24 o   5.3870   0.6388   4.7520   1.0060   6.0230   0.7882 -1.270000 1.278000 
1 1 1   24    6   25 f   2.5790   0.7779   2.8630   1.1370   2.2950   1.0620 0.5685000 1.556000 
1 1 1   24    6   26 o   3.0540   0.7891   2.8110   1.0790   3.2960   1.1510 -0.4847000 1.578000 
1 1 1   24    6   27 o   3.4990   0.7656   2.5890   1.0610   4.4090   1.1040 -1.820000 1.531000 
1 1 1   24    6   28 o   2.3750   0.7611   2.3830   1.0550   2.3680   1.0980 0.1500000E-01 1.522000 
1 1 1   24    6   29 o   2.5200   0.7839   1.9800   0.9516   3.0600   1.2460 -1.080000 1.568000 
1 1 1   24    8    0 o   24.880   0.1789   24.810   0.2522   24.940   0.2537 -0.1263000 0.3578000 
1 1 1   24    8    1 o   23.740   0.1679   23.700   0.2525   23.770   0.2214 -0.6758000E-01 0.3358000 
1 1 1   24    8    2 o   26.320   0.2332   26.630   0.3348   26.020   0.3247 0.6040000 0.4664000 
1 1 1   24    8    3 o   50.130   0.3358   49.810   0.5164   50.450   0.4293 -0.6403000 0.6716000 
1 1 1   24    8    4 o   27.340   0.2325   27.450   0.3301   27.220   0.3276 0.2353000 0.4650000 
1 1 1   24    8    5 o   45.220   0.2792   45.070   0.3938   45.360   0.3958 -0.2893000 0.5583000 
1 1 1   24    8    6 o   8.3180   0.2927   8.6870   0.4009   7.9480   0.4265 0.7391000 0.5853000 
1 1 1   24    8    7 o   16.490   0.1986   16.330   0.2821   16.650   0.2797 -0.3231000 0.3973000 
1 1 1   24    8    8 o   38.310   0.2504   38.500   0.3564   38.110   0.3518 0.3834000 0.5008000 
1 1 1   24    8    9 o   21.700   0.2043   21.620   0.2880   21.790   0.2898 -0.1694000 0.4086000 
1 1 1   24    8   10 o   6.6070   0.4718   6.6010   0.7065   6.6130   0.6255 -0.1235000E-01 0.9436000 
1 1 1   24    8   11 o   12.160   0.2808   12.450   0.3953   11.860   0.3989 0.5896000 0.5616000 
1 1 1   24    8   12 o   24.360   0.2847   24.170   0.4164   24.550   0.3884 -0.3813000 0.5694000 
1 1 1   24    8   13 o   11.520   0.3098   11.730   0.4480   11.300   0.4279 0.4268000 0.6195000 
1 1 1   24    8   14 o   9.9030   0.3474   9.6820   0.5087   10.120   0.4733 -0.4411000 0.6949000 
1 1 1   24    8   15 o   6.1810   0.5848   6.1980   0.7799   6.1640   0.8717 0.3414000E-01 1.170000 
1 1 1   24    8   16 o   16.750   0.3081   17.340   0.4435   16.160   0.4278 1.178000 0.6161000 
1 1 1   24    8   17 o   4.4510   0.8659   4.7890   1.2320   4.1140   1.2170 0.6752000 1.732000 
1 1 1   24    8   18 o   6.2910   0.5304   6.4320   0.7488   6.1510   0.7513 0.2809000 1.061000 
1 1 1   24    8   19 o   9.0960   0.3757   9.0400   0.5510   9.1510   0.5109 -0.1105000 0.7514000 
1 1 1   24    8   20 o   9.4890   0.3778   8.9320   0.5739   10.050   0.4916 -1.114000 0.7556000 
1 1 1   24    8   21 o   11.090   0.3338   11.560   0.4654   10.620   0.4787 0.9380000 0.6676000 
1 1 1   24    8   22 o   3.3550   0.8063   3.5880   1.1510   3.1210   1.1300 0.4666000 1.613000 
1 1 1   24    8   23 o   2.6370   0.7470   2.7700   1.0600   2.5040   1.0530 0.2664000 1.494000 
1 1 1   24    8   24 o   4.4810   0.8505   5.1730   1.1070   3.7900   1.2920 1.382000 1.701000 
1 1 1   24    8   25 o   3.2600   0.7350   4.1420   1.0400   2.3780   1.0390 1.764000 1.470000 
1 1 1   24    8   26 o   2.0730   0.6706   2.2360   0.9866   1.9090   0.9084 0.3272000 1.341000 
1 1 1   24    8   27 o   1.8730   0.6305   1.7200   0.8344   2.0260   0.9456 -0.3060000 1.261000 
1 1 1   24    8   28 o   2.3770   0.8018   2.1440   1.0350   2.6110   1.2250 -0.4670000 1.604000 
1 1 1   24   10    0 o   47.210   0.4013   47.020   0.7197   47.400   0.3553 -0.3783000 0.8026000 
1 1 1   24   10    1 o   39.510   0.2828   39.160   0.4393   39.870   0.3561 -0.7036000 0.5655000 
1 1 1   24   10    2 o   48.020   0.2759   48.290   0.4184   47.760   0.3598 0.5307000 0.5518000 
1 1 1   24   10    3 o   29.420   0.2091   29.510   0.2963   29.330   0.2953 0.1796000 0.4183000 
1 1 1   24   10    4 o   30.370   0.2145   30.280   0.3043   30.450   0.3023 -0.1710000 0.4289000 
1 1 1   24   10    5 o   13.180   0.2236   13.180   0.3182   13.190   0.3142 -0.1890000E-01 0.4472000 
1 1 1   24   10    6 o   22.610   0.2030   22.760   0.2852   22.460   0.2888 0.3010000 0.4059000 
1 1 1   24   10    7 o   11.360   0.2680   11.280   0.3738   11.450   0.3841 -0.1671000 0.5359000 
1 1 1   24   10    8 o   13.330   0.2599   13.110   0.3957   13.560   0.3370 -0.4461000 0.5198000 
1 1 1   24   10    9 o   20.140   0.2179   20.200   0.3095   20.080   0.3067 0.1189000 0.4357000 
1 1 1   24   10   10 o   12.460   0.3590   12.270   0.5141   12.650   0.5011 -0.3840000 0.7179000 
1 1 1   24   10   11 o   6.5310   0.6487   5.7770   1.0250   7.2850   0.7953 -1.508000 1.297000 
1 1 1   24   10   12 o   18.780   0.2318   19.070   0.3301   18.490   0.3256 0.5723000 0.4636000 
1 1 1   24   10   13 o   12.750   0.2865   12.820   0.4098   12.670   0.4004 0.1537000 0.5729000 
1 1 1   24   10   14 o   2.6120   0.7754   2.5220   1.0670   2.7010   1.1250 -0.1793000 1.551000 
1 1 1   24   10   15 o   13.010   0.2934   12.880   0.4326   13.140   0.3966 -0.2589000 0.5868000 
1 1 1   24   10   16 o   5.4920   0.7736   5.5370   1.1850   5.4480   0.9943 0.8886000E-01 1.547000 
1 1 1   24   10   17 o   4.0330   0.7353   3.0250   1.1580   5.0400   0.9058 -2.014000 1.471000 
1 1 1   24   10   18 o   12.200   0.3067   12.230   0.4554   12.160   0.4110 0.6691000E-01 0.6135000 
1 1 1   24   10   19 o   10.120   0.3572   10.410   0.5139   9.8380   0.4964 0.5719000 0.7144000 
1 1 1   24   10   20 o   3.6850   0.7957   4.1540   1.1300   3.2170   1.1200 0.9377000 1.591000 
1 1 1   24   10   21 o   4.7420   0.7092   5.6680   0.9053   3.8160   1.0920 1.853000 1.418000 
1 1 1   24   10   22 o   7.3440   0.4670   6.8220   0.7223   7.8670   0.5922 -1.045000 0.9340000 
1 1 1   24   10   23 f   3.0910   0.7628   4.2100   1.2120   1.9720   0.9260 2.238000 1.526000 
1 1 1   24   10   24 o   3.4070   0.8719   4.0920   1.2870   2.7210   1.1770 1.371000 1.744000 
1 1 1   24   10   25 o   3.2390   0.8286   3.0110   1.1750   3.4670   1.1690 -0.4554000 1.657000 
1 1 1   24   10   26 o   2.2480   0.7088   2.3610   1.0250   2.1340   0.9797 0.2270000 1.418000 
1 1 1   24   10   27 o   2.3290   0.7527   2.3620   1.0590   2.2970   1.0700 0.6514000E-01 1.505000 
1 1 1   24   10   28 o   2.0830   0.7013   1.7260   0.8536   2.4400   1.1130 -0.7137000 1.403000 
1 1 1   24   12    0 o   24.700   0.1884   24.770   0.2839   24.640   0.2477 0.1389000 0.3768000 
1 1 1   24   12    1 o   31.510   0.3333   32.320   0.5878   30.710   0.3143 1.612000 0.6666000 
1 1 1   24   12    2 o   15.090   0.3525   14.920   0.6321   15.260   0.3121 -0.3423000 0.7049000 
1 1 1   24   12    3 o   45.130   0.4025   45.590   0.7262   44.670   0.3474 0.9268000 0.8050000 
1 1 1   24   12    4 o   20.540   0.2110   20.650   0.2950   20.440   0.3018 0.2079000 0.4220000 
1 1 1   24   12    5 o   39.530   0.2889   39.700   0.4462   39.370   0.3671 0.3263000 0.5778000 
1 1 1   24   12    6 o   7.3520   0.4298   7.9810   0.5935   6.7240   0.6219 1.257000 0.8596000 
1 1 1   24   12    7 o   16.630   0.2362   16.740   0.3393   16.520   0.3286 0.2208000 0.4723000 
1 1 1   24   12    8 o   34.710   0.2493   34.750   0.3537   34.660   0.3515 0.9019000E-01 0.4987000 
1 1 1   24   12    9 o   14.730   0.3377   14.100   0.4795   15.350   0.4757 -1.257000 0.6755000 
1 1 1   24   12   10 o   4.8540   0.6800   5.1640   0.9148   4.5440   1.0060 0.6206000 1.360000 
1 1 1   24   12   11 o   14.340   0.2625   14.010   0.3802   14.680   0.3622 -0.6632000 0.5251000 
1 1 1   24   12   12 f   12.220   0.3154   11.830   0.4317   12.600   0.4601 -0.7719000 0.6309000 
1 1 1   24   12   13 o   11.590   0.3328   11.680   0.4458   11.500   0.4942 0.1860000 0.6656000 
1 1 1   24   12   14 o   11.150   0.3954   10.900   0.6000   11.400   0.5152 -0.5026000 0.7909000 
1 1 1   24   12   15 o   12.010   0.3801   12.470   0.5533   11.560   0.5214 0.9132000 0.7602000 
1 1 1   24   12   16 o   11.840   0.3133   11.720   0.4525   11.960   0.4335 -0.2370000 0.6267000 
1 1 1   24   12   17 o   2.2700   0.7054   2.0640   0.9540   2.4770   1.0390 -0.4136000 1.411000 
1 1 1   24   12   18 o   7.8650   0.4511   7.6100   0.6879   8.1190   0.5837 -0.5089000 0.9022000 
1 1 1   24   12   19 o   5.6980   0.6394   4.5760   1.0910   6.8200   0.6676 -2.244000 1.279000 
1 1 1   24   12   20 o   2.0880   0.6718   1.9310   0.9155   2.2440   0.9834 -0.3128000 1.344000 
1 1 1   24   12   21 o   3.7120   0.7427   4.8430   1.0480   2.5810   1.0530 2.261000 1.485000 
1 1 1   24   12   22 o   2.7040   0.7773   2.5010   1.0980   2.9070   1.1000 -0.4063000 1.555000 
1 1 1   24   12   23 o   3.5960   0.8963   2.9090   1.2240   4.2830   1.3100 -1.374000 1.793000 
1 1 1   24   12   24 o   2.5700   0.7723   2.7050   1.1230   2.4360   1.0600 0.2691000 1.545000 
1 1 1   24   12   25 o   2.8100   0.8008   2.6490   1.1240   2.9710   1.1410 -0.3225000 1.602000 
1 1 1   24   12   26 o   3.0860   0.8323   2.2130   1.0180   3.9590   1.3170 -1.746000 1.665000 
1 1 1   24   12   27 o   2.0370   0.6942   1.7640   0.8842   2.3110   1.0700 -0.5471000 1.388000 
1 1 1   24   14    0 f   22.760   0.2341   23.130   0.3627   22.390   0.2959 0.7436000 0.4681000 
1 1 1   24   14    1 o   22.240   0.2287   22.370   0.3497   22.110   0.2950 0.2580000 0.4575000 
1 1 1   24   14    2 o   32.840   0.2605   33.300   0.4044   32.380   0.3286 0.9218000 0.5211000 
1 1 1   24   14    3 f   34.310   0.2548   33.160   0.4086   35.460   0.3045 -2.303000 0.5096000 
1 1 1   24   14    4 o   16.860   0.3760   17.460   0.6921   16.270   0.2941 1.190000 0.7520000 
1 1 1   24   14    5 o   13.270   0.4548   12.820   0.8464   13.720   0.3333 -0.9011000 0.9096000 
1 1 1   24   14    6 o   18.660   0.4053   18.550   0.6865   18.780   0.4312 -0.2369000 0.8107000 
1 1 1   24   14    7 o   17.640   0.3099   17.710   0.4337   17.570   0.4429 0.1366000 0.6199000 
1 1 1   24   14    8 o   33.400   0.2473   33.360   0.3511   33.450   0.3483 -0.8696000E-01 0.4945000 
1 1 1   24   14    9 o   6.2450   0.5531   6.0320   0.7974   6.4580   0.7666 -0.4253000 1.106000 
1 1 1   24   14   10 f   8.9840   0.4121   9.4480   0.5201   8.5200   0.6394 0.9284000 0.8242000 
1 1 1   24   14   11 o   14.710   0.2876   14.840   0.3796   14.580   0.4321 0.2616000 0.5752000 
1 1 1   24   14   12 o   11.770   0.3068   11.860   0.4414   11.680   0.4261 0.1825000 0.6135000 
1 1 1   24   14   13 o   11.780   0.3862   12.050   0.5718   11.500   0.5193 0.5521000 0.7724000 
1 1 1   24   14   14 o   5.4390   0.6266   5.1230   0.9513   5.7550   0.8158 -0.6326000 1.253000 
1 1 1   24   14   15 o   6.1740   0.5490   6.5810   0.7365   5.7670   0.8143 0.8142000 1.098000 
1 1 1   24   14   16 o   3.3830   0.7835   3.9900   1.1250   2.7760   1.0910 1.213000 1.567000 
1 1 1   24   14   17 o   7.1300   0.4776   7.4900   0.6706   6.7700   0.6802 0.7204000 0.9552000 
1 1 1   24   14   18 o   3.6620   0.7879   4.2920   1.1180   3.0320   1.1100 1.260000 1.576000 
1 1 1   24   14   19 o   6.5340   0.5234   6.5950   0.7701   6.4720   0.7090 0.1238000 1.047000 
1 1 1   24   14   20 o   6.9090   0.5599   6.6160   0.9216   7.2020   0.6362 -0.5861000 1.120000 
1 1 1   24   14   21 o   1.8870   0.6365   1.9400   0.9277   1.8340   0.8718 0.1063000 1.273000 
1 1 1   24   14   22 o   3.2000   0.8388   4.0010   1.2610   2.4000   1.1060 1.600000 1.678000 
1 1 1   24   14   23 o   2.3870   0.7410   2.3720   1.0520   2.4010   1.0440 -0.2810000E-01 1.482000 
1 1 1   24   14   24 o   3.2490   0.8259   3.0520   1.1750   3.4460   1.1610 -0.3937000 1.652000 
1 1 1   24   14   25 o   3.3800   0.8651   2.8790   1.1590   3.8810   1.2840 -1.003000 1.730000 
1 1 1   24   14   26 o   2.6360   0.8393   3.1350   1.3370   2.1380   1.0150 0.9970000 1.679000 
1 1 1   24   16    0 o   10.240   0.2803   10.290   0.4060   10.190   0.3867 0.9736000E-01 0.5607000 
1 1 1   24   16    1 o   11.010   0.2907   11.490   0.4294   10.530   0.3920 0.9590000 0.5814000 
1 1 1   24   16    2 o   31.170   0.2401   30.950   0.3343   31.390   0.3447 -0.4436000 0.4802000 
1 1 1   24   16    3 o   2.3210   0.7285   2.0120   0.9646   2.6290   1.0920 -0.6172000 1.457000 
1 1 1   24   16    4 o   12.490   0.3310   12.600   0.5016   12.380   0.4319 0.2127000 0.6619000 
1 1 1   24   16    5 o   13.620   0.2579   13.930   0.3823   13.310   0.3464 0.6114000 0.5159000 
1 1 1   24   16    6 o   8.7770   0.4502   8.7380   0.7612   8.8170   0.4812 -0.7917000E-01 0.9005000 
1 1 1   24   16    7 o   8.8260   0.6669   8.3240   1.2170   9.3280   0.5463 -1.004000 1.334000 
1 1 1   24   16    8 o   9.6520   0.6252   9.8990   1.0880   9.4060   0.6167 0.4924000 1.250000 
1 1 1   24   16    9 o   10.990   0.5514   10.610   1.0110   11.370   0.4400 -0.7624000 1.103000 
1 1 1   24   16   10 o   8.9300   0.3925   8.6980   0.5688   9.1620   0.5409 -0.4643000 0.7849000 
1 1 1   24   16   11 o   7.0790   0.6478   6.7090   0.9771   7.4490   0.8508 -0.7393000 1.296000 
1 1 1   24   16   12 o   10.100   0.3573   10.080   0.5123   10.120   0.4980 -0.4058000E-01 0.7145000 
1 1 1   24   16   13 o   8.2610   0.4124   8.4690   0.5843   8.0540   0.5821 0.4149000 0.8248000 
1 1 1   24   16   14 o   7.7470   0.4377   7.7100   0.6303   7.7840   0.6075 -0.7412000E-01 0.8755000 
1 1 1   24   16   15 o   6.9930   0.4844   7.3470   0.6683   6.6390   0.7014 0.7085000 0.9688000 
1 1 1   24   16   16 f   5.6740   0.6138   6.0920   0.8163   5.2560   0.9168 0.8367000 1.228000 
1 1 1   24   16   17 o   3.1980   0.7764   3.7690   1.1310   2.6270   1.0640 1.142000 1.553000 
1 1 1   24   16   18 f   5.3160   0.6491   5.8000   0.8831   4.8320   0.9516 0.9680000 1.298000 
1 1 1   24   16   19 o   4.6440   0.7858   5.0450   1.1740   4.2420   1.0450 0.8023000 1.572000 
1 1 1   24   16   20 f   2.9600   0.8767   2.8310   1.2190   3.0890   1.2610 -0.2580000 1.753000 
1 1 1   24   16   21 o   2.3470   0.7327   2.3350   1.0480   2.3580   1.0250 -0.2302000E-01 1.465000 
1 1 1   24   16   22 o   2.2120   0.7081   2.3850   1.0550   2.0400   0.9446 0.3453000 1.416000 
1 1 1   24   16   23 o   2.1890   0.6991   2.6080   1.1050   1.7690   0.8571 0.8393000 1.398000 
1 1 1   24   16   24 o   3.0090   0.8489   3.1100   1.1850   2.9080   1.2160 0.2017000 1.698000 
1 1 1   24   16   25 o   3.4200   1.5280   3.4200   1.5280  ?   ?       ?      ? 
1 1 1   24   18    0 o   10.600   0.3274   10.610   0.4695   10.580   0.4563 0.3329000E-01 0.6548000 
1 1 1   24   18    1 o   12.500   0.2905   12.360   0.4270   12.630   0.3940 -0.2720000 0.5810000 
1 1 1   24   18    2 o   15.740   0.2489   15.490   0.3615   15.980   0.3422 -0.4894000 0.4977000 
1 1 1   24   18    3 o   4.7360   0.6724   3.5820   1.1090   5.8890   0.7612 -2.306000 1.345000 
1 1 1   24   18    4 o   16.470   0.2584   16.460   0.4090   16.470   0.3160 -0.4110000E-02 0.5168000 
1 1 1   24   18    5 o   7.0920   0.4555   6.9610   0.6980   7.2230   0.5856 -0.2623000 0.9111000 
1 1 1   24   18    6 o   8.9820   0.3665   9.4640   0.5301   8.4990   0.5063 0.9649000 0.7331000 
1 1 1   24   18    7 o   12.890   0.2776   13.220   0.4085   12.560   0.3760 0.6642000 0.5552000 
1 1 1   24   18    8 o   4.7840   0.8059   4.5860   1.2750   4.9820   0.9859 -0.3964000 1.612000 
1 1 1   24   18    9 o   2.8030   0.8126   2.2540   1.0630   3.3530   1.2290 -1.099000 1.625000 
1 1 1   24   18   10 o   8.0210   0.7545   7.6470   1.3890   8.3940   0.5901 -0.7470000 1.509000 
1 1 1   24   18   11 o   5.5760   0.9173   4.6690   1.6720   6.4820   0.7547 -1.813000 1.835000 
1 1 1   24   18   12 o   4.6000   0.7717   2.8480   1.3460   6.3520   0.7552 -3.505000 1.543000 
1 1 1   24   18   13 o   5.2120   0.6854   4.4300   1.0940   5.9940   0.8258 -1.564000 1.371000 
1 1 1   24   18   14 o   7.1710   0.4925   7.5960   0.6719   6.7450   0.7202 0.8505000 0.9849000 
1 1 1   24   18   15 o   6.3910   0.5615   5.4650   0.9262   7.3180   0.6350 -1.852000 1.123000 
1 1 1   24   18   16 o   3.6940   0.7971   4.2810   1.1310   3.1080   1.1230 1.173000 1.594000 
1 1 1   24   18   17 o   5.3570   0.7041   5.7960   1.0400   4.9190   0.9499 0.8772000 1.408000 
1 1 1   24   18   18 o   3.0220   0.8066   3.2330   1.1840   2.8110   1.0960 0.4211000 1.613000 
1 1 1   24   18   19 o   2.4020   0.7809   2.5210   1.1360   2.2840   1.0720 0.2370000 1.562000 
1 1 1   24   18   20 o   4.0720   0.7184   2.6660   1.1230   5.4790   0.8959 -2.813000 1.437000 
1 1 1   24   18   21 o   2.5620   0.7666   2.4510   1.0760   2.6730   1.0930 -0.2218000 1.533000 
1 1 1   24   18   22 o   2.3360   0.7396   2.5260   1.0880   2.1470   1.0020 0.3790000 1.479000 
1 1 1   24   18   23 o   2.2040   0.7385   2.6170   1.1930   1.7920   0.8708 0.8255000 1.477000 
1 1 1   24   20    0 o   2.0860   0.6502   2.3800   0.9890   1.7920   0.8443 0.5877000 1.300000 
1 1 1   24   20    1 o   7.9110   0.4226   7.5230   0.6674   8.2990   0.5185 -0.7762000 0.8452000 
1 1 1   24   20    2 f   2.7870   0.7017   1.9710   0.9198   3.6020   1.0600 -1.631000 1.403000 
1 1 1   24   20    3 f   12.130   0.2837   12.460   0.4151   11.800   0.3869 0.6619000 0.5674000 
1 1 1   24   20    4 o   12.040   0.3580   11.640   0.5609   12.440   0.4449 -0.8060000 0.7160000 
1 1 1   24   20    5 o   7.2850   0.5537   6.7770   0.8998   7.7930   0.6454 -1.016000 1.107000 
1 1 1   24   20    6 o   7.1330   0.4598   6.9910   0.7033   7.2750   0.5926 -0.2840000 0.9197000 
1 1 1   24   20    7 f   11.290   0.3060   11.370   0.4604   11.210   0.4031 0.1552000 0.6119000 
1 1 1   24   20    8 o   7.4040   0.4336   7.7550   0.6279   7.0530   0.5982 0.7020000 0.8673000 
1 1 1   24   20    9 o   5.3990   0.5902   5.2530   0.9143   5.5450   0.7466 -0.2917000 1.180000 
1 1 1   24   20   10 o   3.0590   0.7727   3.4640   1.1540   2.6530   1.0280 0.8108000 1.545000 
1 1 1   24   20   11 o   2.0460   0.6725   2.1520   0.9857   1.9400   0.9150 0.2123000 1.345000 
1 1 1   24   20   12 o   2.8650   0.7949   2.6420   1.1000   3.0880   1.1480 -0.4460000 1.590000 
1 1 1   24   20   13 f   3.0830   0.8180   2.3360   1.1510   3.8300   1.1630 -1.494000 1.636000 
1 1 1   24   20   14 o   8.1760   0.6450  ?   ?    8.1760   0.6450      ?      ? 
1 1 1   24   20   15 o   6.6880   0.7432  ?   ?    6.6880   0.7432      ?      ? 
1 1 1   24   20   16 o   5.9890   0.6341   5.3710   1.0290   6.6070   0.7420 -1.237000 1.268000 
1 1 1   24   20   17 o   2.4910   0.7972   2.8220   1.2150   2.1590   1.0320 0.6626000 1.594000 
1 1 1   24   20   18 o   2.4690   0.7548   2.5710   1.0980   2.3670   1.0360 0.2040000 1.510000 
1 1 1   24   20   19 o   3.1980   0.8317   3.2690   1.2050   3.1280   1.1470 0.1412000 1.663000 
1 1 1   24   20   20 o   3.6780   0.8273   4.4900   1.1660   2.8660   1.1740 1.625000 1.655000 
1 1 1   24   20   21 o   1.8230   0.6238   1.7960   0.8760   1.8500   0.8883 -0.5372000E-01 1.248000 
1 1 1   24   22    0 o   2.8520   0.7458   2.6570   1.0360   3.0480   1.0730 -0.3905000 1.492000 
1 1 1   24   22    1 o   5.2820   0.6251   5.4880   0.9152   5.0770   0.8519 0.4100000 1.250000 
1 1 1   24   22    2 o   8.1350   0.4043   7.9820   0.6172   8.2880   0.5223 -0.3061000 0.8086000 
1 1 1   24   22    3 o   3.2860   0.7648   3.5860   1.1040   2.9860   1.0590 0.5997000 1.530000 
1 1 1   24   22    4 o   8.9690   0.3601   9.3390   0.5278   8.6000   0.4901 0.7384000 0.7202000 
1 1 1   24   22    5 o   6.8970   0.4505   7.0670   0.6662   6.7260   0.6065 0.3413000 0.9010000 
1 1 1   24   22    6 o   9.5240   0.3464   9.2890   0.5295   9.7580   0.4467 -0.4692000 0.6928000 
1 1 1   24   22    7 o   4.2690   0.7268   3.6250   1.1720   4.9140   0.8601 -1.289000 1.454000 
1 1 1   24   22    8 o   9.2090   0.3618   9.1800   0.5568   9.2380   0.4623 -0.5900000E-01 0.7237000 
1 1 1   24   22    9 f   5.9570   0.5438   5.9340   0.8490   5.9800   0.6797 -0.4653000E-01 1.088000 
1 1 1   24   22   10 o   6.3190   0.5822   6.6300   0.8682   6.0090   0.7760 0.6212000 1.164000 
1 1 1   24   22   11 o   2.7270   0.7913   3.1820   1.2250   2.2710   1.0020 0.9110000 1.583000 
1 1 1   24   22   12 o   5.2160   0.6470   5.2680   0.9951   5.1630   0.8271 0.1046000 1.294000 
1 1 1   24   22   13 o   4.4850   0.7303   5.8900   0.8832   3.0810   1.1630 2.808000 1.461000 
1 1 1   24   22   14 o   10.260   0.5216   10.650   0.6677   9.8660   0.8015 0.7849000 1.043000 
1 1 1   24   22   15 o   4.1790   0.9413   3.1470   1.2720   5.2100   1.3880 -2.063000 1.883000 
1 1 1   24   22   16 o   1.9050   0.6550   1.7900   0.8963   2.0190   0.9554 -0.2294000 1.310000 
1 1 1   24   22   17 o   2.5690   0.8284   2.5400   1.2410   2.5970   1.0970 -0.5683000E-01 1.657000 
1 1 1   24   22   18 o   2.6190   0.8598   2.6860   1.2980   2.5530   1.1280 0.1328000 1.720000 
1 1 1   24   22   19 o   2.4890   0.8434   2.9450   1.3910   2.0330   0.9545 0.9124000 1.687000 
1 1 1   24   24    0 o   8.9030   0.3390   8.4580   0.4975   9.3480   0.4608 -0.8893000 0.6781000 
1 1 1   24   24    1 o   6.1670   0.5384   5.6960   0.8712   6.6390   0.6328 -0.9432000 1.077000 
1 1 1   24   24    2 o   5.2330   0.6308   4.9250   1.0170   5.5420   0.7468 -0.6165000 1.262000 
1 1 1   24   24    3 o   6.1380   0.5155   6.3690   0.7490   5.9070   0.7085 0.4621000 1.031000 
1 1 1   24   24    4 o   6.8070   0.5281   5.8750   0.8135   7.7390   0.6738 -1.864000 1.056000 
1 1 1   24   24    5 o   10.500   0.3741   10.580   0.5670   10.420   0.4881 0.1630000 0.7481000 
1 1 1   24   24    6 o   8.0500   0.4687   8.1700   0.7160   7.9290   0.6049 0.2409000 0.9373000 
1 1 1   24   24    7 o   5.7480   0.6505   5.6430   1.0260   5.8530   0.7999 -0.2098000 1.301000 
1 1 1   24   24    8 o   9.3810   0.3707   9.4460   0.5703   9.3160   0.4738 0.1296000 0.7414000 
1 1 1   24   24    9 o   3.4030   0.7902   3.2070   1.1730   3.5980   1.0590 -0.3910000 1.580000 
1 1 1   24   24   10 o   2.6600   0.7397   3.3510   1.1720   1.9690   0.9029 1.382000 1.479000 
1 1 1   24   24   11 o   1.9710   0.6596   1.8110   0.8767   2.1320   0.9857 -0.3203000 1.319000 
1 1 1   24   24   12 o   3.0680   0.8126   4.1200   1.3170   2.0170   0.9529 2.104000 1.625000 
1 1 1   24   24   13 o   4.2410   0.7756   5.0430   1.0850   3.4400   1.1090 1.603000 1.551000 
1 1 1   24   24   14 o   3.3330   0.8262   3.6070   1.2210   3.0580   1.1140 0.5489000 1.652000 
1 1 1   24   24   15 o   2.9500   0.8441   2.6390   1.1220   3.2620   1.2610 -0.6228000 1.688000 
1 1 1   24   24   16 o   2.0700   0.6887   1.6790   0.8325   2.4620   1.0970 -0.7826000 1.377000 
1 1 1   24   26    0 o   2.9530   0.7547   3.0550   1.0810   2.8500   1.0530 0.2044000 1.509000 
1 1 1   24   26    1 o   5.1650   0.6552   5.0320   1.0390   5.2990   0.7989 -0.2667000 1.310000 
1 1 1   24   26    2 o   6.1910   0.5621   5.7210   0.9177   6.6600   0.6495 -0.9392000 1.124000 
1 1 1   24   26    3 o   3.5190   0.6834   2.3070   1.0260   4.7310   0.9027 -2.424000 1.367000 
1 1 1   24   26    4 o   4.2610   0.7379   4.2680   1.1040   4.2540   0.9792 0.1385000E-01 1.476000 
1 1 1   24   26    5 o   6.9060   0.4811   6.5020   0.7601   7.3100   0.5899 -0.8074000 0.9621000 
1 1 1   24   26    6 o   4.7000   0.7028   3.9990   1.1490   5.4010   0.8094 -1.401000 1.406000 
1 1 1   24   26    7 o   4.3060   0.8787   4.2580   1.3130   4.3540   1.1680 -0.9638000E-01 1.757000 
1 1 1   24   26    8 o   10.180   0.4452   9.7810   0.7015   10.590   0.5483 -0.8045000 0.8903000 
1 1 1   24   26    9 o   6.7410   0.6060   6.5660   1.0160   6.9160   0.6608 -0.3501000 1.212000 
1 1 1   24   26   10 o   4.8120   0.7173   4.8300   1.0670   4.7940   0.9584 0.3611000E-01 1.435000 
1 1 1   24   26   11 o   3.8040   0.8182   4.4960   1.1610   3.1120   1.1530 1.384000 1.636000 
1 1 1   24   26   12 o   1.6840   0.5864   1.7280   0.8489   1.6400   0.8093 0.8762000E-01 1.173000 
1 1 1   24   26   13 o   2.4530   0.7500   2.4710   1.0830   2.4350   1.0380 0.3637000E-01 1.500000 
1 1 1   24   28    0 o   2.6690   0.7627   3.2850   1.1820   2.0530   0.9647 1.231000 1.525000 
1 1 1   24   28    1 o   2.9730   0.8528   3.0050   1.2470   2.9400   1.1640 0.6528000E-01 1.706000 
1 1 1   24   28    2 o   3.8330   0.9047   3.9450   1.3420   3.7200   1.2140 0.2246000 1.809000 
1 1 1   24   28    3 o   1.9400   0.6653   2.1730   1.0320   1.7080   0.8394 0.4649000 1.331000 
1 1 1   24   28    4 o   2.2760   0.7216   2.1990   1.0050   2.3520   1.0360 -0.1530000 1.443000 
1 1 1   24   28    5 o   2.2630   0.7126   1.9380   0.9214   2.5880   1.0870 -0.6499000 1.425000 
1 1 1   24   28    6 o   2.9690   0.7967   2.6020   1.0950   3.3350   1.1570 -0.7328000 1.593000 
1 1 1   24   28    7 o   2.0130   0.6542   1.5910   0.7886   2.4340   1.0440 -0.8433000 1.308000 
1 1 1   24   28    8 o   2.8750   0.7861   2.9810   1.1460   2.7690   1.0770 0.2121000 1.572000 
1 1 1   25    1    0 o   36.270   0.2660   36.030   0.3749   36.510   0.3776 -0.4828000 0.5321000 
1 1 1   25    1    1 o   15.440   0.1665   14.930   0.2433   15.950   0.2272 -1.021000 0.3329000 
1 1 1   25    1    2 o   21.240   0.1713   21.110   0.2669   21.380   0.2148 -0.2638000 0.3426000 
1 1 1   25    1    3 o   16.290   0.1684   16.300   0.2644   16.280   0.2086 0.2183000E-01 0.3368000 
1 1 1   25    1    4 o   4.1480   0.5028   3.3850   0.8416   4.9100   0.5502 -1.525000 1.006000 
1 1 1   25    1    5 o   32.090   0.3629   32.410   0.5209   31.770   0.5055 0.6349000 0.7258000 
1 1 1   25    1    6 o   51.310   0.3064   51.430   0.4346   51.190   0.4321 0.2386000 0.6128000 
1 1 1   25    1    7 o   15.710   0.1792   15.680   0.2549   15.730   0.2518 -0.4848000E-01 0.3583000 
1 1 1   25    1    8 o   33.780   0.2223   33.830   0.3154   33.730   0.3134 0.9565000E-01 0.4446000 
1 1 1   25    1    9 o   53.010   0.3198   53.160   0.4539   52.870   0.4508 0.2970000 0.6397000 
1 1 1   25    1   10 o   25.330   0.2006   25.380   0.2842   25.280   0.2831 0.1048000 0.4011000 
1 1 1   25    1   11 o   2.3640   0.6694   2.8620   1.0300   1.8650   0.8556 0.9970000 1.339000 
1 1 1   25    1   12 o   3.1490   0.7513   3.1800   1.0580   3.1190   1.0670 0.6075000E-01 1.503000 
1 1 1   25    1   13 o   18.260   0.2686   18.430   0.3739   18.100   0.3857 0.3247000 0.5372000 
1 1 1   25    1   14 o   15.700   0.2456   16.140   0.3411   15.270   0.3534 0.8702000 0.4912000 
1 1 1   25    1   15 o   12.380   0.2919   12.410   0.4108   12.340   0.4146 0.7306000E-01 0.5837000 
1 1 1   25    1   16 o   13.710   0.2735   13.330   0.3899   14.100   0.3836 -0.7694000 0.5469000 
1 1 1   25    1   17 o   5.6380   0.6129   5.2160   0.9174   6.0590   0.8131 -0.8425000 1.226000 
1 1 1   25    1   18 o   3.7500   1.0500   3.8030   1.4980   3.6980   1.4700 0.1049000 2.099000 
1 1 1   25    1   19 o   1.9840   0.6543   2.1050   0.9650   1.8620   0.8838 0.2434000 1.309000 
1 1 1   25    1   20 o   5.6150   0.6019   5.1820   0.9301   6.0480   0.7642 -0.8662000 1.204000 
1 1 1   25    1   21 o   4.3990   0.7370   4.1960   1.0700   4.6020   1.0140 -0.4053000 1.474000 
1 1 1   25    1   22 o   3.7180   0.7355   2.6600   1.0840   4.7760   0.9940 -2.116000 1.471000 
1 1 1   25    1   23 o   4.1890   0.7283   5.3400   0.8966   3.0390   1.1480 2.302000 1.457000 
1 1 1   25    1   24 o   2.6060   0.7579   2.4850   1.0520   2.7280   1.0910 -0.2426000 1.516000 
1 1 1   25    1   25 o   2.4670   0.7694   2.0640   0.9779   2.8690   1.1880 -0.8050000 1.539000 
1 1 1   25    1   26 o   2.4310   0.7420   2.5940   1.0860   2.2670   1.0120 0.3272000 1.484000 
1 1 1   25    1   27 o   3.0060   0.8193   2.9890   1.1500   3.0240   1.1670 -0.3474000E-01 1.639000 
1 1 1   25    1   28 o   2.7560   0.7961   2.6640   1.1100   2.8490   1.1420 -0.1852000 1.592000 
1 1 1   25    1   29 o   2.2830   0.7927   2.1820   1.0820   2.3830   1.1590 -0.2001000 1.585000 
1 1 1   25    3    0 o   29.020   0.2260   28.800   0.3171   29.240   0.3222 -0.4404000 0.4520000 
1 1 1   25    3    1 o   28.710   0.1819   28.760   0.2575   28.650   0.2569 0.1089000 0.3638000 
1 1 1   25    3    2 o   8.0170   0.1852   7.9380   0.2636   8.0970   0.2602 -0.1589000 0.3704000 
1 1 1   25    3    3 o   2.2720   0.5607   2.1440   0.7751   2.4010   0.8103 -0.2568000 1.121000 
1 1 1   25    3    4 o   16.580   0.1715   16.690   0.2259   16.470   0.2582 0.2240000 0.3430000 
1 1 1   25    3    5 o   51.510   0.3770   51.410   0.5320   51.610   0.5342 -0.1996000 0.7539000 
1 1 1   25    3    6 o   26.430   0.2112   26.380   0.2658   26.490   0.3282 -0.1107000 0.4223000 
1 1 1   25    3    7 o   23.480   0.1829   23.660   0.2604   23.290   0.2570 0.3686000 0.3658000 
1 1 1   25    3    8 o   35.310   0.2303   35.320   0.3265   35.300   0.3249 0.2424000E-01 0.4606000 
1 1 1   25    3    9 o   26.870   0.2012   26.730   0.2847   27.000   0.2845 -0.2683000 0.4025000 
1 1 1   25    3   10 o   16.700   0.2032   17.100   0.2867   16.300   0.2879 0.7984000 0.4063000 
1 1 1   25    3   11 o   13.120   0.2359   13.470   0.3308   12.780   0.3364 0.6891000 0.4718000 
1 1 1   25    3   12 o   12.100   0.2567   11.970   0.3573   12.240   0.3688 -0.2726000 0.5135000 
1 1 1   25    3   13 o   21.650   0.2627   21.770   0.3668   21.540   0.3760 0.2306000 0.5253000 
1 1 1   25    3   14 o   18.420   0.2152   18.560   0.2834   18.290   0.3238 0.2706000 0.4303000 
1 1 1   25    3   15 o   9.1360   0.3457   8.4390   0.4852   9.8330   0.4925 -1.394000 0.6913000 
1 1 1   25    3   16 o   16.310   0.2329   16.310   0.3091   16.310   0.3484 0.5436000E-02 0.4657000 
1 1 1   25    3   17 o   5.8740   0.6449   5.8680   0.8350   5.8810   0.9830 -0.1311000E-01 1.290000 
1 1 1   25    3   18 o   18.890   0.2728   19.130   0.3478   18.650   0.4204 0.4799000 0.5456000 
1 1 1   25    3   19 o   7.8800   0.3984   7.9270   0.5212   7.8330   0.6027 0.9392000E-01 0.7968000 
1 1 1   25    3   20 o   3.7670   0.7471   4.1130   0.9902   3.4210   1.1190 0.6918000 1.494000 
1 1 1   25    3   21 o   6.4570   0.4807   6.5510   0.6301   6.3630   0.7261 0.1886000 0.9614000 
1 1 1   25    3   22 o   3.0270   0.7468   3.5200   1.0560   2.5350   1.0570 0.9853000 1.494000 
1 1 1   25    3   23 o   2.6890   0.7517   2.7000   1.0380   2.6780   1.0870 0.2171000E-01 1.503000 
1 1 1   25    3   24 o   3.8900   0.6957   2.6030   1.0380   5.1770   0.9267 -2.574000 1.391000 
1 1 1   25    3   25 o   2.6520   0.8126   2.5390   1.1210   2.7650   1.1770 -0.2257000 1.625000 
1 1 1   25    3   26 o   3.0830   0.8174   3.2720   1.1650   2.8950   1.1470 0.3766000 1.635000 
1 1 1   25    3   27 o   3.0790   0.8207   2.9370   1.1410   3.2210   1.1800 -0.2841000 1.641000 
1 1 1   25    3   28 o   3.0260   0.8161   3.2800   1.1850   2.7720   1.1220 0.5074000 1.632000 
1 1 1   25    3   29 o   2.9470   0.9524   2.7850   1.3110   3.1100   1.3820 -0.3249000 1.905000 
1 1 1   25    5    0 o   24.450   0.1661   24.670   0.2367   24.230   0.2331 0.4407000 0.3322000 
1 1 1   25    5    1 o   31.140   0.2410   31.350   0.3491   30.930   0.3322 0.4172000 0.4819000 
1 1 1   25    5    2 f   40.440   0.2731   40.110   0.3450   40.770   0.4234 -0.6620000 0.5461000 
1 1 1   25    5    3 o   12.100   0.1689   11.840   0.2422   12.350   0.2355 -0.5106000 0.3378000 
1 1 1   25    5    4 f   17.570   0.2048   17.690   0.2922   17.450   0.2872 0.2373000 0.4097000 
1 1 1   25    5    5 o   48.950   0.2945   49.250   0.4191   48.640   0.4139 0.6071000 0.5890000 
1 1 1   25    5    6 f   18.970   0.1768   18.930   0.2524   19.010   0.2478 -0.7771000E-01 0.3537000 
1 1 1   25    5    7 o   43.900   0.2715   43.860   0.3848   43.930   0.3830 -0.6884000E-01 0.5429000 
1 1 1   25    5    8 o   14.570   0.2050   14.890   0.2897   14.240   0.2903 0.6557000 0.4101000 
1 1 1   25    5    9 o   25.400   0.2014   25.770   0.2867   25.020   0.2828 0.7442000 0.4027000 
1 1 1   25    5   10 o   31.300   0.2216   31.520   0.3163   31.080   0.3105 0.4380000 0.4432000 
1 1 1   25    5   11 o   23.830   0.2072   23.950   0.2940   23.700   0.2921 0.2519000 0.4144000 
1 1 1   25    5   12 o   11.890   0.2940   12.160   0.4356   11.620   0.3950 0.5413000 0.5880000 
1 1 1   25    5   13 o   18.560   0.2844   18.800   0.4037   18.330   0.4007 0.4694000 0.5688000 
1 1 1   25    5   14 o   7.7510   0.4289   7.9320   0.5985   7.5700   0.6144 0.3617000 0.8577000 
1 1 1   25    5   15 o   6.6820   0.4992   6.0930   0.7730   7.2710   0.6319 -1.178000 0.9984000 
1 1 1   25    5   16 o   10.300   0.3367   10.190   0.4847   10.410   0.4674 -0.2255000 0.6733000 
1 1 1   25    5   17 o   7.5460   0.6708   7.9820   0.7856   7.1090   1.0870 0.8738000 1.342000 
1 1 1   25    5   18 o   11.510   0.2911   11.390   0.3946   11.640   0.4280 -0.2549000 0.5821000 
1 1 1   25    5   19 o   9.5140   0.3365   9.0970   0.4722   9.9300   0.4796 -0.8327000 0.6731000 
1 1 1   25    5   20 o   6.4810   0.4834   6.4960   0.6505   6.4670   0.7151 0.2925000E-01 0.9667000 
1 1 1   25    5   21 o   7.5950   0.4258   7.7950   0.5492   7.3940   0.6508 0.4016000 0.8516000 
1 1 1   25    5   22 o   2.3560   0.7061   2.0910   0.9305   2.6210   1.0620 -0.5294000 1.412000 
1 1 1   25    5   23 o   2.2520   0.6868   1.8450   0.8638   2.6580   1.0680 -0.8128000 1.374000 
1 1 1   25    5   24 o   2.6010   0.7589   2.5180   1.0580   2.6850   1.0880 -0.1671000 1.518000 
1 1 1   25    5   25 o   3.5900   0.8632   3.2820   1.1760   3.8980   1.2640 -0.6153000 1.726000 
1 1 1   25    5   26 o   5.1780   0.6771   6.0410   0.7410   4.3150   1.1330 1.726000 1.354000 
1 1 1   25    5   27 o   2.7070   0.7786   2.5970   1.0660   2.8170   1.1350 -0.2203000 1.557000 
1 1 1   25    5   28 o   2.7840   0.7855   3.4380   1.1950   2.1300   1.0200 1.308000 1.571000 
1 1 1   25    5   29 o   1.8850   0.6490   1.9560   0.9397   1.8150   0.8954 0.1410000 1.298000 
1 1 1   25    7    0 o   50.730   0.3710  ?   ?    50.730   0.3710      ?      ? 
1 1 1   25    7    1 o   24.630   0.1841   24.790   0.2951   24.470   0.2200 0.3200000 0.3681000 
1 1 1   25    7    2 o   26.290   0.1843   26.250   0.2607   26.330   0.2605 -0.7402000E-01 0.3686000 
1 1 1   25    7    3 o   12.200   0.2342   11.910   0.3384   12.480   0.3239 -0.5704000 0.4684000 
1 1 1   25    7    4 o   25.920   0.1897   26.180   0.2698   25.660   0.2667 0.5230000 0.3794000 
1 1 1   25    7    5 o   35.490   0.2298   35.400   0.3251   35.570   0.3249 -0.1715000 0.4596000 
1 1 1   25    7    6 o   30.550   0.2110   30.650   0.3001   30.450   0.2965 0.1990000 0.4219000 
1 1 1   25    7    7 o   39.150   0.2513   39.260   0.3575   39.030   0.3534 0.2348000 0.5027000 
1 1 1   25    7    8 o   31.790   0.2215   31.930   0.3155   31.650   0.3110 0.2811000 0.4430000 
1 1 1   25    7    9 o   19.920   0.2056   19.680   0.2946   20.160   0.2870 -0.4820000 0.4113000 
1 1 1   25    7   10 o   14.270   0.2521   14.280   0.3780   14.260   0.3336 0.1773000E-01 0.5041000 
1 1 1   25    7   11 o   23.820   0.2319   23.820   0.3524   23.820   0.3014 0.4795000E-02 0.4637000 
1 1 1   25    7   12 o   6.2010   0.6922   5.4040   1.1050   6.9970   0.8347 -1.593000 1.384000 
1 1 1   25    7   13 o   10.310   0.3294   10.500   0.4639   10.130   0.4678 0.3692000 0.6588000 
1 1 1   25    7   14 o   17.110   0.2413   17.010   0.3473   17.220   0.3351 -0.2133000 0.4826000 
1 1 1   25    7   15 o   13.100   0.2798   13.420   0.3951   12.770   0.3963 0.6547000 0.5596000 
1 1 1   25    7   16 o   8.8990   0.4124   8.7920   0.5588   9.0070   0.6067 -0.2150000 0.8248000 
1 1 1   25    7   17 o   10.630   0.4131   10.910   0.6018   10.350   0.5661 0.5555000 0.8262000 
1 1 1   25    7   18 o   7.0890   0.4798   7.9890   0.6157   6.1880   0.7360 1.801000 0.9596000 
1 1 1   25    7   19 o   4.5600   0.7240   4.5570   1.0430   4.5620   1.0050 -0.4597000E-02 1.448000 
1 1 1   25    7   20 o   3.8500   0.7638   4.6330   1.0520   3.0680   1.1080 1.566000 1.528000 
1 1 1   25    7   21 o   6.4990   0.6392   7.7870   0.5510   5.2120   1.1540 2.576000 1.278000 
1 1 1   25    7   22 o   8.0050   0.4008   7.7310   0.5534   8.2780   0.5798 -0.5473000 0.8016000 
1 1 1   25    7   23 o   2.8440   0.7664   2.8910   1.0680   2.7970   1.0990 0.9369000E-01 1.533000 
1 1 1   25    7   24 o   5.7700   0.7376   5.8350   1.0090   5.7050   1.0760 0.1297000 1.475000 
1 1 1   25    7   25 o   6.6940   0.5024   6.8450   0.6637   6.5420   0.7543 0.3030000 1.005000 
1 1 1   25    7   26 o   4.6610   0.7248   4.2810   1.0490   5.0400   1.0010 -0.7591000 1.450000 
1 1 1   25    7   27 o   2.7590   0.7819   2.7210   1.0830   2.7980   1.1280 -0.7741000E-01 1.564000 
1 1 1   25    7   28 o   1.8660   0.6602   1.7600   0.8831   1.9720   0.9816 -0.2118000 1.320000 
1 1 1   25    9    0 f   15.900   0.2863   16.120   0.5063   15.690   0.2672 0.4276000 0.5725000 
1 1 1   25    9    1 o   15.950   0.3013   15.580   0.5393   16.320   0.2690 -0.7429000 0.6026000 
1 1 1   25    9    2 o   24.220   0.2860   24.170   0.5030   24.270   0.2721 -0.1079000 0.5719000 
1 1 1   25    9    3 o   23.000   0.1863   22.940   0.2653   23.050   0.2615 -0.1159000 0.3725000 
1 1 1   25    9    4 o   25.770   0.1973   26.070   0.2809   25.470   0.2772 0.6002000 0.3946000 
1 1 1   25    9    5 o   13.030   0.2467   13.340   0.3502   12.730   0.3477 0.6039000 0.4935000 
1 1 1   25    9    6 o   38.270   0.2492   38.420   0.3540   38.120   0.3508 0.3026000 0.4984000 
1 1 1   25    9    7 o   27.530   0.2107   27.290   0.2983   27.770   0.2976 -0.4815000 0.4213000 
1 1 1   25    9    8 o   11.790   0.2597   12.210   0.3579   11.380   0.3765 0.8315000 0.5195000 
1 1 1   25    9    9 o   21.110   0.2267   20.480   0.3423   21.730   0.2975 -1.244000 0.4535000 
1 1 1   25    9   10 o   18.120   0.2250   18.280   0.3210   17.950   0.3154 0.3320000 0.4500000 
1 1 1   25    9   11 o   6.3450   0.6683   6.4180   0.9327   6.2720   0.9575 0.1459000 1.337000 
1 1 1   25    9   12 o   11.890   0.3002   11.790   0.4416   12.000   0.4069 -0.2035000 0.6005000 
1 1 1   25    9   13 o   12.300   0.2967   12.350   0.4307   12.260   0.4081 0.8976000E-01 0.5933000 
1 1 1   25    9   14 o   5.0650   0.6878   5.7080   0.8877   4.4230   1.0510 1.286000 1.376000 
1 1 1   25    9   15 o   9.7470   0.3880   9.7190   0.5363   9.7740   0.5608 -0.5497000E-01 0.7759000 
1 1 1   25    9   16 o   8.0890   0.5393   7.4850   0.8518   8.6930   0.6616 -1.207000 1.079000 
1 1 1   25    9   17 o   3.9170   0.7402   4.9610   0.9896   2.8720   1.1010 2.088000 1.480000 
1 1 1   25    9   18 o   5.4430   0.6178   5.7960   0.8338   5.0890   0.9120 0.7066000 1.236000 
1 1 1   25    9   19 o   3.9770   0.7677   4.3960   1.0700   3.5590   1.1020 0.8365000 1.535000 
1 1 1   25    9   20 o   3.3520   0.7641   4.1720   1.1080   2.5330   1.0530 1.639000 1.528000 
1 1 1   25    9   21 o   6.3500   0.5322   6.4440   0.7670   6.2570   0.7379 0.1876000 1.064000 
1 1 1   25    9   22 o   4.4120   0.7239   5.5070   0.9022   3.3170   1.1320 2.191000 1.448000 
1 1 1   25    9   23 o   5.2430   0.7139   5.3010   1.1000   5.1850   0.9106 0.1156000 1.428000 
1 1 1   25    9   24 o   2.8600   0.8455   2.9970   1.2060   2.7230   1.1850 0.2746000 1.691000 
1 1 1   25    9   25 o   2.6410   0.7359   3.1910   1.1090   2.0910   0.9676 1.100000 1.472000 
1 1 1   25    9   26 o   2.1980   0.6997   2.1500   0.9673   2.2470   1.0110 -0.9621000E-01 1.399000 
1 1 1   25    9   27 o   2.2210   0.7288   1.8160   0.8803   2.6260   1.1620 -0.8100000 1.458000 
1 1 1   25    9   28 o   2.4520   0.7779   2.2030   1.0250   2.7010   1.1700 -0.4976000 1.556000 
1 1 1   25   11    0 o   10.710   0.2235   10.590   0.3366   10.820   0.2941 -0.2305000 0.4470000 
1 1 1   25   11    1 o   22.420   0.1818   22.470   0.2732   22.380   0.2400 0.8758000E-01 0.3636000 
1 1 1   25   11    2 o   22.570   0.2155   22.190   0.3568   22.940   0.2416 -0.7476000 0.4309000 
1 1 1   25   11    3 o   21.800   0.3284   21.800   0.5595   21.800   0.3440 0.5226000E-02 0.6568000 
1 1 1   25   11    4 o   24.160   0.3173   24.420   0.5658   23.910   0.2877 0.5067000 0.6347000 
1 1 1   25   11    5 o   17.320   0.2993  ?   ?    17.320   0.2993      ?      ? 
1 1 1   25   11    6 o   10.850   0.3018   11.340   0.4306   10.370   0.4230 0.9717000 0.6036000 
1 1 1   25   11    7 o   11.130   0.3130   11.360   0.4636   10.900   0.4207 0.4651000 0.6260000 
1 1 1   25   11    8 o   19.530   0.2257   19.520   0.3229   19.540   0.3155 -0.2395000E-01 0.4514000 
1 1 1   25   11    9 o   24.140   0.2809   24.430   0.4004   23.850   0.3940 0.5726000 0.5617000 
1 1 1   25   11   10 o   20.950   0.2896   21.040   0.4142   20.860   0.4047 0.1779000 0.5791000 
1 1 1   25   11   11 o   15.160   0.2556   14.990   0.3678   15.330   0.3551 -0.3479000 0.5113000 
1 1 1   25   11   12 o   5.8040   0.5752   5.1070   0.9213   6.5000   0.6888 -1.393000 1.150000 
1 1 1   25   11   13 o   6.0200   0.5891   5.7190   0.8302   6.3200   0.8360 -0.6008000 1.178000 
1 1 1   25   11   14 o   15.380   0.2586   15.330   0.3707   15.420   0.3606 -0.8875000E-01 0.5171000 
1 1 1   25   11   15 o   11.570   0.3861   11.600   0.5812   11.540   0.5084 0.6180000E-01 0.7722000 
1 1 1   25   11   16 o   5.2480   0.6715   4.5980   1.0760   5.8980   0.8035 -1.299000 1.343000 
1 1 1   25   11   17 o   4.8510   0.7086   4.2430   1.1300   5.4600   0.8558 -1.217000 1.417000 
1 1 1   25   11   18 o   5.8240   0.5956   5.7950   0.8795   5.8530   0.8035 -0.5810000E-01 1.191000 
1 1 1   25   11   19 o   3.7320   0.7732   4.6720   1.0950   2.7920   1.0920 1.880000 1.546000 
1 1 1   25   11   20 o   2.3260   0.7027   3.1110   1.1750   1.5420   0.7706 1.569000 1.405000 
1 1 1   25   11   21 o   2.8710   0.7369   3.8510   1.1750   1.8900   0.8900 1.961000 1.474000 
1 1 1   25   11   22 o   2.2920   0.7334   2.4730   1.1120   2.1110   0.9566 0.3621000 1.467000 
1 1 1   25   11   23 o   8.1920   0.5645   8.2380   0.7987   8.1460   0.7981 0.9149000E-01 1.129000 
1 1 1   25   11   24 o   1.9750   0.6572   1.9000   0.9044   2.0500   0.9539 -0.1500000 1.314000 
1 1 1   25   11   25 o   2.9000   0.8025   3.2300   1.1820   2.5700   1.0860 0.6596000 1.605000 
1 1 1   25   11   26 o   5.7860   0.7232   5.4530   0.9965   6.1200   1.0480 -0.6675000 1.446000 
1 1 1   25   11   27 f   2.3710   0.7825   2.3770   1.1210   2.3650   1.0920 0.1198000E-01 1.565000 
1 1 1   25   13    0 o   53.410   0.3058   53.340   0.4616   53.480   0.4012 -0.1439000 0.6116000 
1 1 1   25   13    1 o   15.020   0.2200   14.890   0.3146   15.150   0.3078 -0.2635000 0.4401000 
1 1 1   25   13    2 o   10.850   0.2982   10.500   0.4674   11.190   0.3704 -0.6873000 0.5964000 
1 1 1   25   13    3 o   37.750   0.2807   37.690   0.4322   37.820   0.3583 -0.1214000 0.5614000 
1 1 1   25   13    4 o   19.520   0.2386   19.080   0.3643   19.950   0.3081 -0.8687000 0.4771000 
1 1 1   25   13    5 o   21.440   0.3595   21.310   0.6477   21.560   0.3121 -0.2404000 0.7190000 
1 1 1   25   13    6 o   28.270   0.3517   28.170   0.6259   28.370   0.3208 -0.1968000 0.7033000 
1 1 1   25   13    7 o   24.070   0.3766   23.760   0.6368   24.390   0.4021 -0.6321000 0.7532000 
1 1 1   25   13    8 o   18.240   0.3137   17.740   0.4450   18.750   0.4424 -1.014000 0.6275000 
1 1 1   25   13    9 o   11.810   0.3056   12.030   0.4278   11.590   0.4365 0.4334000 0.6112000 
1 1 1   25   13   10 f   11.840   0.3092   11.900   0.4320   11.780   0.4425 0.1123000 0.6184000 
1 1 1   25   13   11 o   4.7720   0.7183   5.9940   0.7917   3.5490   1.1990 2.445000 1.437000 
1 1 1   25   13   12 o   7.2450   0.4611   7.0800   0.6820   7.4110   0.6208 -0.3310000 0.9222000 
1 1 1   25   13   13 o   4.7740   0.6978   3.6190   1.1670   5.9290   0.7657 -2.311000 1.396000 
1 1 1   25   13   14 o   10.520   0.4268   10.500   0.6263   10.550   0.5799 -0.5253000E-01 0.8535000 
1 1 1   25   13   15 o   12.350   0.3028   12.090   0.4395   12.600   0.4166 -0.5162000 0.6055000 
1 1 1   25   13   16 o   10.230   0.3471   10.360   0.5022   10.100   0.4794 0.2613000 0.6942000 
1 1 1   25   13   17 o   11.050   0.3308   11.430   0.4731   10.670   0.4624 0.7608000 0.6615000 
1 1 1   25   13   18 o   2.3370   0.6985   1.7770   0.8605   2.8970   1.1000 -1.120000 1.397000 
1 1 1   25   13   19 o   3.6150   0.6869   2.3060   1.0190   4.9250   0.9211 -2.620000 1.374000 
1 1 1   25   13   20 o   4.5280   0.7370   4.6850   1.0740   4.3710   1.0100 0.3138000 1.474000 
1 1 1   25   13   21 o   3.1250   0.8181   2.9590   1.2080   3.2920   1.1040 -0.3320000 1.636000 
1 1 1   25   13   22 o   4.3350   0.9508   4.4970   1.3700   4.1730   1.3190 0.3244000 1.902000 
1 1 1   25   13   23 o   3.6250   0.8303   3.6660   1.1910   3.5830   1.1570 0.8279000E-01 1.661000 
1 1 1   25   13   24 o   2.1050   0.6803   1.7350   0.8492   2.4760   1.0630 -0.7416000 1.361000 
1 1 1   25   13   25 o   2.8810   0.8236   2.3690   1.0580   3.3930   1.2630 -1.024000 1.647000 
1 1 1   25   13   26 o   2.7340   0.8526   3.2210   1.3460   2.2470   1.0470 0.9743000 1.705000 
1 1 1   25   15    0 o   19.790   0.2079   20.090   0.3155   19.490   0.2709 0.6035000 0.4158000 
1 1 1   25   15    1 o   8.3720   0.3505   7.9390   0.5503   8.8050   0.4343 -0.8662000 0.7011000 
1 1 1   25   15    2 o   43.650   0.2666   43.420   0.4018   43.880   0.3506 -0.4596000 0.5333000 
1 1 1   25   15    3 o   41.580   0.2587   41.700   0.3916   41.450   0.3382 0.2443000 0.5174000 
1 1 1   25   15    4 f   11.540   0.2761   11.650   0.4136   11.440   0.3659 0.2028000 0.5522000 
1 1 1   25   15    5 o   14.590   0.3075   14.450   0.4729   14.730   0.3931 -0.2753000 0.6150000 
1 1 1   25   15    6 o   10.200   0.4107   10.090   0.6129   10.320   0.5468 -0.2258000 0.8214000 
1 1 1   25   15    7 o   3.5850   0.7731   4.2610   1.0780   2.9080   1.1090 1.353000 1.546000 
1 1 1   25   15    8 o   18.590   0.3982   18.330   0.6962   18.850   0.3869 -0.5208000 0.7965000 
1 1 1   25   15    9 o   7.8780   0.7697   8.0370   1.3630   7.7190   0.7150 0.3181000 1.539000 
1 1 1   25   15   10 o   8.1850   0.7200   8.5290   1.2960   7.8400   0.6269 0.6890000 1.440000 
1 1 1   25   15   11 o   5.5910   0.6410   5.4640   0.9284   5.7190   0.8841 -0.2554000 1.282000 
1 1 1   25   15   12 o   3.7450   0.9110   3.4270   1.3090   4.0630   1.2670 -0.6363000 1.822000 
1 1 1   25   15   13 o   8.0510   0.4233   8.0950   0.6074   8.0070   0.5898 0.8785000E-01 0.8466000 
1 1 1   25   15   14 o   8.9880   0.3868   8.6560   0.5788   9.3190   0.5133 -0.6626000 0.7736000 
1 1 1   25   15   15 o   4.7220   0.7002   3.5770   1.1560   5.8670   0.7900 -2.290000 1.400000 
1 1 1   25   15   16 o   5.8750   0.5978   6.6580   0.7354   5.0920   0.9428 1.565000 1.196000 
1 1 1   25   15   17 o   3.1220   0.7424   4.0820   1.1210   2.1630   0.9742 1.919000 1.485000 
1 1 1   25   15   18 f   5.7390   0.6221   5.0600   1.0110   6.4170   0.7257 -1.357000 1.244000 
1 1 1   25   15   19 o   4.3580   0.7600   5.7770   1.0560   2.9400   1.0930 2.837000 1.520000 
1 1 1   25   15   20 o   8.8420   0.4203   8.7350   0.6443   8.9480   0.5400 -0.2129000 0.8407000 
1 1 1   25   15   21 o   3.4240   0.9104   3.0790   1.2560   3.7680   1.3180 -0.6886000 1.821000 
1 1 1   25   15   22 o   3.7610   0.8196   3.5780   1.2010   3.9430   1.1160 -0.3652000 1.639000 
1 1 1   25   15   23 o   2.5240   0.7431   2.0620   0.9640   2.9860   1.1310 -0.9239000 1.486000 
1 1 1   25   15   24 o   2.9260   0.8370   2.5540   1.0980   3.2980   1.2640 -0.7441000 1.674000 
1 1 1   25   15   25 o   2.2590   0.7451   1.9750   0.9722   2.5430   1.1290 -0.5678000 1.490000 
1 1 1   25   17    0 o   9.9020   0.3512   9.4600   0.5018   10.340   0.4916 -0.8831000 0.7025000 
1 1 1   25   17    1 o   4.9430   0.7534   4.9860   1.1260   4.9000   1.0010 0.8644000E-01 1.507000 
1 1 1   25   17    2 o   13.460   0.3125   13.470   0.4726   13.450   0.4090 0.1585000E-01 0.6250000 
1 1 1   25   17    3 o   10.750   0.2976   11.170   0.4254   10.330   0.4164 0.8424000 0.5952000 
1 1 1   25   17    4 o   7.4950   0.4233   7.5890   0.6037   7.4010   0.5935 0.1879000 0.8466000 
1 1 1   25   17    5 o   11.180   0.3128   10.880   0.4633   11.480   0.4204 -0.5997000 0.6257000 
1 1 1   25   17    6 o   10.570   0.3168   10.780   0.4644   10.360   0.4309 0.4258000 0.6336000 
1 1 1   25   17    7 o   5.6050   0.5665   5.7790   0.8242   5.4310   0.7774 0.3482000 1.133000 
1 1 1   25   17    8 f   17.850   0.2520   17.440   0.3597   18.250   0.3530 -0.8107000 0.5040000 
1 1 1   25   17    9 o   8.5930   0.5112   9.0480   0.7187   8.1390   0.7273 0.9090000 1.022000 
1 1 1   25   17   10 o   7.5570   0.6029   6.6660   0.9875   8.4480   0.6922 -1.782000 1.206000 
1 1 1   25   17   11 o   5.1950   0.9693   5.4470   1.6780   4.9440   0.9715 0.5028000 1.939000 
1 1 1   25   17   12 o   8.7880   0.6489   9.5310   1.1430   8.0460   0.6141 1.485000 1.298000 
1 1 1   25   17   13 o   3.4410   0.9439   3.4310   1.5080   3.4520   1.1360 -0.2146000E-01 1.888000 
1 1 1   25   17   14 o   3.3480   0.8705   3.9750   1.3540   2.7200   1.0940 1.255000 1.741000 
1 1 1   25   17   15 o   3.1220   0.8088   3.2670   1.1720   2.9760   1.1150 0.2904000 1.618000 
1 1 1   25   17   16 o   3.8250   0.8033   4.0170   1.1430   3.6340   1.1290 0.3827000 1.607000 
1 1 1   25   17   17 o   7.9730   0.4849   8.2400   0.7427   7.7070   0.6238 0.5332000 0.9699000 
1 1 1   25   17   18 o   4.9470   0.7630   4.8050   1.2220   5.0880   0.9136 -0.2835000 1.526000 
1 1 1   25   17   19 o   2.4220   0.7824   2.4240   1.1090   2.4210   1.1040 0.3072000E-02 1.565000 
1 1 1   25   17   20 o   2.7040   0.8391   2.7030   1.1890   2.7050   1.1850 -0.2379000E-02 1.678000 
1 1 1   25   17   21 o   2.5710   0.7690   2.5640   1.1010   2.5770   1.0740 -0.1225000E-01 1.538000 
1 1 1   25   17   22 o   2.9150   0.7299   1.9550   0.9330   3.8750   1.1230 -1.920000 1.460000 
1 1 1   25   17   23 o   2.4980   0.7773   2.2140   1.0150   2.7820   1.1780 -0.5683000 1.555000 
1 1 1   25   19    0 o   2.0350   0.6244   2.6730   1.0370   1.3980   0.6961 1.275000 1.249000 
1 1 1   25   19    1 o   6.2040   0.5161   6.2280   0.7879   6.1790   0.6669 0.4912000E-01 1.032000 
1 1 1   25   19    2 o   8.3190   0.3698   8.6870   0.5300   7.9500   0.5158 0.7370000 0.7396000 
1 1 1   25   19    3 o   16.840   0.2346   17.180   0.3480   16.510   0.3146 0.6641000 0.4691000 
1 1 1   25   19    4 o   18.350   0.2285   18.580   0.3419   18.120   0.3032 0.4638000 0.4570000 
1 1 1   25   19    5 o   12.510   0.2814   12.640   0.4176   12.390   0.3772 0.2523000 0.5627000 
1 1 1   25   19    6 o   4.7400   0.8116   4.4850   1.2760   4.9950   1.0030 -0.5104000 1.623000 
1 1 1   25   19    7 o   6.0840   0.6513   6.3220   0.9992   5.8460   0.8357 0.4761000 1.303000 
1 1 1   25   19    8 o   9.6630   0.3444  10.0000   0.5029   9.3250   0.4708 0.6749000 0.6888000 
1 1 1   25   19    9 o   3.5050   0.7553   2.9230   1.1180   4.0860   1.0160 -1.164000 1.511000 
1 1 1   25   19   10 o   2.9610   0.7832   2.4710   1.0570   3.4520   1.1560 -0.9805000 1.566000 
1 1 1   25   19   11 o   2.7490   0.7815   2.7160   1.1040   2.7830   1.1070 -0.6683000E-01 1.563000 
1 1 1   25   19   12 o   3.7350   0.8001   4.2980   1.1240   3.1720   1.1390 1.125000 1.600000 
1 1 1   25   19   13 o   3.0890   0.8141   3.2240   1.1700   2.9540   1.1320 0.2703000 1.628000 
1 1 1   25   19   14 o   2.2600   0.7384   2.2900   1.0850   2.2300   1.0020 0.6012000E-01 1.477000 
1 1 1   25   19   15 o   3.5880   1.1480  ?   ?    3.5880   1.1480      ?      ? 
1 1 1   25   19   16 o   3.0250   1.1300  ?   ?    3.0250   1.1300      ?      ? 
1 1 1   25   19   17 o   2.7150   0.8803   3.0570   1.4240   2.3740   1.0360 0.6823000 1.761000 
1 1 1   25   19   18 o   4.1630   0.9499   3.8960   1.3610   4.4310   1.3250 -0.5348000 1.900000 
1 1 1   25   19   19 o   2.3780   0.7319   2.8180   1.1440   1.9390   0.9132 0.8790000 1.464000 
1 1 1   25   19   20 o   1.8890   0.6387   2.1980   1.0110   1.5800   0.7803 0.6178000 1.277000 
1 1 1   25   19   21 o   1.8600   0.6384   1.8430   0.8923   1.8770   0.9133 -0.3387000E-01 1.277000 
1 1 1   25   19   22 o   2.0610   0.6801   1.8810   0.9091   2.2410   1.0120 -0.3592000 1.360000 
1 1 1   25   21    0 f   7.3660   0.3971   7.5160   0.5511   7.2170   0.5718 0.2991000 0.7941000 
1 1 1   25   21    1 o   3.4340   0.8214   4.5400   1.2870   2.3270   1.0210 2.213000 1.643000 
1 1 1   25   21    2 o   9.8270   0.3961   10.300   0.5930   9.3520   0.5253 0.9500000 0.7922000 
1 1 1   25   21    3 o   3.3040   0.8452   3.4780   1.2590   3.1300   1.1280 0.3481000 1.690000 
1 1 1   25   21    4 o   9.2410   0.3530   9.4280   0.5209   9.0540   0.4766 0.3739000 0.7060000 
1 1 1   25   21    5 o   4.6700   0.6699   4.7190   0.9939   4.6210   0.8986 0.9752000E-01 1.340000 
1 1 1   25   21    6 o   4.4450   0.6331   2.6210   1.0750   6.2700   0.6694 -3.648000 1.266000 
1 1 1   25   21    7 o   7.4970   0.4340   6.8770   0.7018   8.1170   0.5107 -1.240000 0.8679000 
1 1 1   25   21    8 f   4.1500   0.7298   4.7560   1.0240   3.5450   1.0400 1.210000 1.460000 
1 1 1   25   21    9 f   5.1080   0.6323   5.4080   0.9239   4.8070   0.8637 0.6016000 1.265000 
1 1 1   25   21   10 o   2.2300   0.6698   1.7210   0.8369   2.7400   1.0460 -1.018000 1.340000 
1 1 1   25   21   11 o   7.0590   0.4744   6.3990   0.7716   7.7180   0.5520 -1.319000 0.9488000 
1 1 1   25   21   12 o   2.6610   0.7652   2.1500   1.0060   3.1730   1.1530 -1.023000 1.530000 
1 1 1   25   21   13 o   3.1120   0.8248   2.6770   1.1520   3.5470   1.1800 -0.8697000 1.650000 
1 1 1   25   21   14 o   2.7900   0.8052   2.5770   1.1050   3.0030   1.1720 -0.4252000 1.610000 
1 1 1   25   21   15 o   3.3780   0.8694   3.8250   1.1960   2.9310   1.2620 0.8944000 1.739000 
1 1 1   25   21   16 o   2.4150   0.7831   2.2260   1.0490   2.6050   1.1620 -0.3790000 1.566000 
1 1 1   25   21   17 o   3.1520   0.7609   4.1840   1.1710   2.1190   0.9721 2.065000 1.522000 
1 1 1   25   21   18 o   2.6300   0.8598   2.9100   1.3750   2.3510   1.0330 0.5596000 1.720000 
1 1 1   25   21   19 o   2.3160   0.7816   2.2910   1.1420   2.3410   1.0680 -0.4954000E-01 1.563000 
1 1 1   25   21   20 o   2.8560   0.7933   2.1080   1.0640   3.6040   1.1770 -1.496000 1.587000 
1 1 1   25   23    0 o   2.7320   0.7406   2.6490   1.0360   2.8150   1.0590 -0.1667000 1.481000 
1 1 1   25   23    1 o   3.6920   0.7717   3.7520   1.1410   3.6330   1.0390 0.1190000 1.543000 
1 1 1   25   23    2 o   11.990   0.2972   12.720   0.4350   11.260   0.4052 1.464000 0.5945000 
1 1 1   25   23    3 o   2.5180   0.7347   2.7430   1.0950   2.2920   0.9799 0.4514000 1.469000 
1 1 1   25   23    4 o   5.1910   0.6099   5.1760   0.9139   5.2060   0.8079 -0.2951000E-01 1.220000 
1 1 1   25   23    5 o   3.3310   0.7216   2.4950   1.0560   4.1670   0.9840 -1.672000 1.443000 
1 1 1   25   23    6 o   4.8480   0.6573   5.2580   0.9226   4.4390   0.9364 0.8192000 1.315000 
1 1 1   25   23    7 o   8.2300   0.4156   7.3940   0.6779   9.0670   0.4810 -1.673000 0.8312000 
1 1 1   25   23    8 o   5.7210   0.6676   6.4610   0.9116   4.9810   0.9755 1.480000 1.335000 
1 1 1   25   23    9 o   3.4790   0.8431   3.5290   1.2410   3.4300   1.1410 0.9909000E-01 1.686000 
1 1 1   25   23   10 o   4.8540   0.6742   5.1370   0.9800   4.5700   0.9261 0.5663000 1.348000 
1 1 1   25   23   11 o   6.9960   0.4773   7.3400   0.6983   6.6530   0.6509 0.6869000 0.9546000 
1 1 1   25   23   12 o   6.7180   0.5036   7.1570   0.7277   6.2800   0.6964 0.8770000 1.007000 
1 1 1   25   23   13 o   3.6030   0.8980   3.7770   1.3170   3.4290   1.2210 0.3477000 1.796000 
1 1 1   25   23   14 o   2.4040   0.7627   2.2370   1.0600   2.5710   1.0970 -0.3344000 1.525000 
1 1 1   25   23   15 o   2.6920   0.7914   3.1170   1.1970   2.2670   1.0350 0.8498000 1.583000 
1 1 1   25   23   16 o   3.0750   0.8742   3.0760   1.2040   3.0750   1.2680 0.8469000E-03 1.748000 
1 1 1   25   23   17 o   2.0180   0.6818   2.1350   0.9942   1.9010   0.9333 0.2342000 1.364000 
1 1 1   25   25    0 o   2.0980   0.6745   1.7400   0.8444   2.4560   1.0520 -0.7160000 1.349000 
1 1 1   25   25    1 o   4.9270   0.7813   4.9650   1.1930   4.8890   1.0090 0.7577000E-01 1.563000 
1 1 1   25   25    2 o   5.6290   0.7142   4.5920   1.2240   6.6670   0.7373 -2.075000 1.428000 
1 1 1   25   25    3 o   2.9970   0.8180   3.3200   1.2220   2.6730   1.0880 0.6479000 1.636000 
1 1 1   25   25    4 o   4.3930   0.7063   3.7670   1.1290   5.0200   0.8487 -1.253000 1.413000 
1 1 1   25   25    5 o   2.2070   0.6922   2.4290   1.0470   1.9860   0.9058 0.4433000 1.384000 
1 1 1   25   25    6 o   4.1310   0.7215   5.1220   0.9620   3.1410   1.0750 1.982000 1.443000 
1 1 1   25   25    7 o   1.8480   0.6189   2.0940   0.9605   1.6010   0.7808 0.4921000 1.238000 
1 1 1   25   25    8 o   3.0160   0.7738   3.5510   1.1620   2.4820   1.0220 1.069000 1.548000 
1 1 1   25   25    9 o   2.6380   0.7480   1.7840   0.8666   3.4910   1.2190 -1.707000 1.496000 
1 1 1   25   25   10 o   2.1640   0.7185   2.2670   1.0610   2.0600   0.9688 0.2077000 1.437000 
1 1 1   25   25   11 o   2.9600   0.8351   3.1830   1.2860   2.7370   1.0650 0.4459000 1.670000 
1 1 1   25   25   12 o   3.5990   0.8235   3.6540   1.2180   3.5440   1.1090 0.1107000 1.647000 
1 1 1   25   25   13 o   1.9150   0.6471   2.2450   1.0270   1.5850   0.7871 0.6593000 1.294000 
1 1 1   25   25   14 o   2.7510   0.7929   2.7310   1.1470   2.7700   1.0950 -0.3838000E-01 1.586000 
1 1 1   25   27    0 o   3.5650   0.7660   3.8640   1.0750   3.2660   1.0910 0.5987000 1.532000 
1 1 1   25   27    1 o   3.7910   0.7918   4.2950   1.1370   3.2870   1.1030 1.007000 1.584000 
1 1 1   25   27    2 o   2.7710   0.7808   2.8860   1.1460   2.6550   1.0600 0.2307000 1.562000 
1 1 1   25   27    3 o   2.5700   0.7171   2.0110   0.9410   3.1280   1.0820 -1.117000 1.434000 
1 1 1   25   27    4 o   2.1780   0.7048   2.1530   0.9858   2.2040   1.0070 -0.5037000E-01 1.410000 
1 1 1   25   27    5 o   3.3950   0.8770   3.3870   1.2910   3.4020   1.1870 -0.1488000E-01 1.754000 
1 1 1   25   27    6 o   2.4490   0.7658   2.1530   1.0240   2.7450   1.1390 -0.5919000 1.532000 
1 1 1   25   27    7 o   3.4750   0.8047   4.0440   1.1640   2.9060   1.1110 1.138000 1.609000 
1 1 1   25   27    8 o   2.7530   0.7929   3.0310   1.1700   2.4760   1.0710 0.5546000 1.586000 
1 1 1   25   27    9 o   3.6160   0.8329   3.4640   1.1930   3.7680   1.1630 -0.3040000 1.666000 
1 1 1   25   27   10 o   2.3930   0.7287   2.0670   0.9896   2.7180   1.0700 -0.6508000 1.457000 
1 1 1   25   29    0 o   2.5790   0.7189   1.6660   0.8231   3.4920   1.1790 -1.826000 1.438000 
1 1 1   25   29    1 o   4.1140   0.8255   3.6650   1.2100   4.5640   1.1240 -0.8992000 1.651000 
1 1 1   25   29    2 o   3.9560   0.8355   3.7470   1.2040   4.1660   1.1580 -0.4186000 1.671000 
1 1 1   25   29    3 o   5.1950   0.6538   5.4810   0.9292   4.9100   0.9199 0.5702000 1.308000 
1 1 1   25   29    4 o   2.9410   0.8863   2.4710   1.2040   3.4110   1.3020 -0.9407000 1.773000 
1 1 1   26    0    0 o   5.2850   0.5883   5.2850   0.5883   5.2850   0.5883 0.000000 0.000000 
1 1 1   26    0    1 o   31.390   0.3381   31.390   0.3381   31.390   0.3381 0.000000 0.000000 
1 1 1   26    0    2 o   34.610   0.3003   34.610   0.3003   34.610   0.3003 0.000000 0.000000 
1 1 1   26    0    3 o   7.1840   0.3199   7.1840   0.3199   7.1840   0.3199 0.000000 0.000000 
1 1 1   26    0    4 o   3.0660   0.9225   3.0660   0.9225   3.0660   0.9225 0.000000 0.000000 
1 1 1   26    0    5 o   26.310   0.4607   26.310   0.4607   26.310   0.4607 0.000000 0.000000 
1 1 1   26    0    6 o   78.640   0.6469   78.640   0.6469   78.640   0.6469 0.000000 0.000000 
1 1 1   26    0    7 f   66.520   0.5523   66.520   0.5523   66.520   0.5523 0.000000 0.000000 
1 1 1   26    0    8 o   7.2960   0.4548   7.2960   0.4548   7.2960   0.4548 0.000000 0.000000 
1 1 1   26    0    9 o   20.870   0.2716   20.870   0.2716   20.870   0.2716 0.000000 0.000000 
1 1 1   26    0   10 o   17.500   0.2817   17.500   0.2817   17.500   0.2817 0.000000 0.000000 
1 1 1   26    0   11 o   24.870   0.2901   24.870   0.2901   24.870   0.2901 0.000000 0.000000 
1 1 1   26    0   12 o   3.8150   1.1960   3.8150   1.1960   3.8150   1.1960 0.000000 0.000000 
1 1 1   26    0   13 o   29.820   0.3857   29.820   0.3857   29.820   0.3857 0.000000 0.000000 
1 1 1   26    0   14 o   1.7950   1.1340   1.7950   1.1340   1.7950   1.1340 0.000000 0.000000 
1 1 1   26    0   15 o   2.5950   1.3380   2.5950   1.3380   2.5950   1.3380 0.000000 0.000000 
1 1 1   26    0   16 o   10.640   0.4637   10.640   0.4637   10.640   0.4637 0.000000 0.000000 
1 1 1   26    0   17 o   6.4940   1.5290   6.4940   1.5290   6.4940   1.5290 0.000000 0.000000 
1 1 1   26    0   18 o   9.1090   0.6966   9.1090   0.6966   9.1090   0.6966 0.000000 0.000000 
1 1 1   26    0   19 o   2.7470   1.3680   2.7470   1.3680   2.7470   1.3680 0.000000 0.000000 
1 1 1   26    0   20 o   2.6410   1.3610   2.6410   1.3610   2.6410   1.3610 0.000000 0.000000 
1 1 1   26    0   21 o   2.9060   1.3680   2.9060   1.3680   2.9060   1.3680 0.000000 0.000000 
1 1 1   26    0   22 o   1.6900   1.1070   1.6900   1.1070   1.6900   1.1070 0.000000 0.000000 
1 1 1   26    0   23 o   1.8090   1.1540   1.8090   1.1540   1.8090   1.1540 0.000000 0.000000 
1 1 1   26    0   24 o   2.0200   1.2250   2.0200   1.2250   2.0200   1.2250 0.000000 0.000000 
1 1 1   26    0   25 o   2.1060   1.3180   2.1060   1.3180   2.1060   1.3180 0.000000 0.000000 
1 1 1   26    0   26 o   1.7120   1.1220   1.7120   1.1220   1.7120   1.1220 0.000000 0.000000 
1 1 1   26    0   27 o   5.0780   1.1100   5.0780   1.1100   5.0780   1.1100 0.000000 0.000000 
1 1 1   26    0   28 o   1.6100   1.0820   1.6100   1.0820   1.6100   1.0820 0.000000 0.000000 
1 1 1   26    0   29 o   1.7330   1.2290   1.7330   1.2290   1.7330   1.2290 0.000000 0.000000 
1 1 1   26    2    0 o   48.150   0.3470   48.220   0.4917   48.080   0.4898 0.1377000 0.6940000 
1 1 1   26    2    1 o   31.360   0.2184   31.180   0.3383   31.550   0.2763 -0.3707000 0.4368000 
1 1 1   26    2    2 o   29.670   0.2130   29.550   0.3323   29.790   0.2666 -0.2377000 0.4260000 
1 1 1   26    2    3 o   3.1770   0.4858   3.2240   0.6730   3.1300   0.7008 0.9374000E-01 0.9717000 
1 1 1   26    2    4 o   6.1830   0.3001   6.2900   0.3908   6.0770   0.4555 0.2131000 0.6002000 
1 1 1   26    2    5 o   32.650   0.2598   32.890   0.3689   32.420   0.3659 0.4721000 0.5196000 
1 1 1   26    2    6 o   36.240   0.2298   36.370   0.3265   36.110   0.3235 0.2653000 0.4596000 
1 1 1   26    2    7 o   48.970   0.2959   49.050   0.4194   48.890   0.4176 0.1647000 0.5918000 
1 1 1   26    2    8 f   17.050   0.2085   17.900   0.2660   16.210   0.3211 1.688000 0.4169000 
1 1 1   26    2    9 o   23.950   0.1824   24.140   0.2388   23.760   0.2758 0.3813000 0.3648000 
1 1 1   26    2   10 f   22.910   0.1848   23.120   0.2429   22.710   0.2786 0.4101000 0.3696000 
1 1 1   26    2   11 o   21.980   0.1908   21.930   0.2493   22.020   0.2890 -0.9484000E-01 0.3816000 
1 1 1   26    2   12 f   25.580   0.2088   25.520   0.2919   25.640   0.2987 -0.1159000 0.4177000 
1 1 1   26    2   13 o   16.670   0.4040  ?   ?    16.670   0.4040      ?      ? 
1 1 1   26    2   14 o   8.2470   0.3714   8.2870   0.4849   8.2060   0.5626 0.8116000E-01 0.7428000 
1 1 1   26    2   15 o   8.1330   0.3845   7.9300   0.5141   8.3360   0.5720 -0.4066000 0.7691000 
1 1 1   26    2   16 o   12.070   0.2796   11.680   0.3761   12.450   0.4138 -0.7698000 0.5591000 
1 1 1   26    2   17 o   5.5530   0.8871   6.0080   1.0020   5.0980   1.4650 0.9104000 1.774000 
1 1 1   26    2   18 o   3.1040   0.7821   2.0310   0.9418   4.1760   1.2490 -2.146000 1.564000 
1 1 1   26    2   19 o   8.8780   0.3887   8.4580   0.5762   9.2970   0.5219 -0.8392000 0.7774000 
1 1 1   26    2   20 o   7.3100   0.4609   7.3910   0.6497   7.2290   0.6539 0.1618000 0.9218000 
1 1 1   26    2   21 o   9.6340   0.3632   9.5040   0.5286   9.7640   0.4981 -0.2597000 0.7263000 
1 1 1   26    2   22 o   5.7420   0.5950   6.3740   0.7434   5.1100   0.9292 1.264000 1.190000 
1 1 1   26    2   23 o   6.8720   0.5033   7.1140   0.6860   6.6300   0.7365 0.4839000 1.007000 
1 1 1   26    2   24 o   7.8440   0.4446   8.3340   0.5926   7.3530   0.6630 0.9817000 0.8893000 
1 1 1   26    2   25 o   2.9460   0.7872   1.9630   0.9448   3.9290   1.2590 -1.966000 1.574000 
1 1 1   26    2   26 o   4.9490   0.7268   4.0900   1.1530   5.8090   0.8848 -1.718000 1.454000 
1 1 1   26    2   27 o   3.8480   0.8211   4.2680   1.1280   3.4290   1.1930 0.8382000 1.642000 
1 1 1   26    2   28 o   2.5800   0.7718   2.3100   1.0320   2.8490   1.1470 -0.5396000 1.544000 
1 1 1   26    2   29 o   2.4690   0.8415   2.3610   1.1580   2.5770   1.2210 -0.2164000 1.683000 
1 1 1   26    4    0 o   26.890   0.1739   26.720   0.2449   27.060   0.2471 -0.3392000 0.3479000 
1 1 1   26    4    1 o   25.580   0.1715   25.430   0.2411   25.720   0.2440 -0.2887000 0.3431000 
1 1 1   26    4    2 o   12.240   0.1653   12.360   0.2186   12.130   0.2481 0.2310000 0.3307000 
1 1 1   26    4    3 o   26.920   0.1998   27.290   0.2607   26.540   0.3029 0.7503000 0.3997000 
1 1 1   26    4    4 o   27.110   0.3249  ?   ?    27.110   0.3249      ?      ? 
1 1 1   26    4    5 o   51.440   0.3778   51.670   0.5377   51.210   0.5309 0.4632000 0.7557000 
1 1 1   26    4    6 o   47.750   0.2890   48.050   0.4114   47.440   0.4061 0.6027000 0.5781000 
1 1 1   26    4    7 o   10.270   0.2304   10.150   0.3283   10.390   0.3234 -0.2357000 0.4608000 
1 1 1   26    4    8 o   16.680   0.2104   16.950   0.2733   16.410   0.3200 0.5362000 0.4208000 
1 1 1   26    4    9 f   60.880   0.3630   60.770   0.5130   60.990   0.5138 -0.2216000 0.7261000 
1 1 1   26    4   10 o   12.600   0.2401   12.600   0.3393   12.590   0.3398 0.1183000E-01 0.4802000 
1 1 1   26    4   11 o   12.310   0.2552   12.480   0.3524   12.150   0.3693 0.3320000 0.5104000 
1 1 1   26    4   12 o   15.080   0.2528   14.870   0.3842   15.300   0.3288 -0.4310000 0.5057000 
1 1 1   26    4   13 o   8.2250   0.5031   7.7290   0.7662   8.7210   0.6521 -0.9920000 1.006000 
1 1 1   26    4   14 o   11.930   0.2945   12.000   0.4201   11.860   0.4128 0.1379000 0.5889000 
1 1 1   26    4   15 o   10.260   0.3124   10.420   0.4080   10.110   0.4732 0.3102000 0.6248000 
1 1 1   26    4   16 o   10.940   0.2988   11.180   0.3889   10.700   0.4536 0.4744000 0.5975000 
1 1 1   26    4   17 o   15.690   0.3788   15.420   0.4693   15.960   0.5947 -0.5412000 0.7576000 
1 1 1   26    4   18 o   2.9270   0.7375   2.1870   0.9571   3.6670   1.1220 -1.480000 1.475000 
1 1 1   26    4   19 o   9.5620   0.3355   9.7410   0.4442   9.3830   0.5028 0.3582000 0.6709000 
1 1 1   26    4   20 o   3.8240   0.7514   3.9890   1.0170   3.6590   1.1060 0.3302000 1.503000 
1 1 1   26    4   21 o   3.0870   0.7629   2.6130   1.0320   3.5620   1.1240 -0.9487000 1.526000 
1 1 1   26    4   22 o   7.8450   0.4078   7.9340   0.5371   7.7560   0.6139 0.1782000 0.8157000 
1 1 1   26    4   23 o   3.2960   0.7607   3.6130   1.0430   2.9790   1.1080 0.6348000 1.521000 
1 1 1   26    4   24 f   3.0300   0.7722   2.4880   1.0500   3.5730   1.1330 -1.085000 1.544000 
1 1 1   26    4   25 o   3.3600   0.8608   3.1900   1.1560   3.5300   1.2760 -0.3392000 1.722000 
1 1 1   26    4   26 o   2.8730   0.7768   2.4140   1.0240   3.3320   1.1680 -0.9177000 1.554000 
1 1 1   26    4   27 o   2.5140   0.7526   2.3160   1.0070   2.7110   1.1190 -0.3947000 1.505000 
1 1 1   26    4   28 o   1.9810   0.6749   1.7780   0.8652   2.1830   1.0360 -0.4055000 1.350000 
1 1 1   26    4   29 o   1.8260   0.6354   1.6350   0.8158   2.0170   0.9744 -0.3827000 1.271000 
1 1 1   26    6    0 o   26.070   0.2682   26.070   0.4749   26.070   0.2495 -0.2350000E-02 0.5365000 
1 1 1   26    6    1 o   25.440   0.2687   25.690   0.4767   25.190   0.2482 0.4958000 0.5374000 
1 1 1   26    6    2 o   32.600   0.2099   32.360   0.2954   32.840   0.2983 -0.4747000 0.4198000 
1 1 1   26    6    3 o   2.7400   0.6715   2.5790   0.9454   2.9000   0.9539 -0.3211000 1.343000 
1 1 1   26    6    4 o   20.720   0.2141   20.550   0.3037   20.890   0.3018 -0.3329000 0.4282000 
1 1 1   26    6    5 o   47.180   0.2868   47.640   0.4098   46.720   0.4012 0.9159000 0.5735000 
1 1 1   26    6    6 o   13.030   0.2005   13.100   0.2871   12.950   0.2800 0.1511000 0.4011000 
1 1 1   26    6    7 o   10.390   0.2484   10.260   0.3627   10.520   0.3394 -0.2574000 0.4967000 
1 1 1   26    6    8 o   23.730   0.1976   23.620   0.2822   23.840   0.2765 -0.2261000 0.3951000 
1 1 1   26    6    9 o   24.960   0.2045   24.740   0.2900   25.190   0.2884 -0.4531000 0.4090000 
1 1 1   26    6   10 o   23.170   0.2057   22.950   0.2917   23.390   0.2902 -0.4403000 0.4115000 
1 1 1   26    6   11 o   17.450   0.2368   17.320   0.3550   17.580   0.3134 -0.2515000 0.4736000 
1 1 1   26    6   12 o   8.7950   0.4688   8.4360   0.7005   9.1540   0.6233 -0.7173000 0.9376000 
1 1 1   26    6   13 o   22.930   0.2229   23.140   0.3182   22.710   0.3121 0.4331000 0.4457000 
1 1 1   26    6   14 o   38.780   0.2646   38.860   0.3763   38.700   0.3722 0.1598000 0.5293000 
1 1 1   26    6   15 o   18.340   0.2369   18.240   0.3385   18.430   0.3315 -0.1875000 0.4738000 
1 1 1   26    6   16 o   2.5320   0.7515   2.8730   1.1160   2.1920   1.0070 0.6804000 1.503000 
1 1 1   26    6   17 o   5.5390   0.7699   5.2300   1.1870   5.8490   0.9810 -0.6183000 1.540000 
1 1 1   26    6   18 o   2.7570   0.7708   2.9330   1.1190   2.5800   1.0600 0.3535000 1.542000 
1 1 1   26    6   19 o   14.070   0.2562   14.130   0.3430   14.010   0.3806 0.1272000 0.5124000 
1 1 1   26    6   20 o   3.0720   0.7549   2.5170   1.0260   3.6260   1.1070 -1.109000 1.510000 
1 1 1   26    6   21 o   4.1540   0.7208   3.9090   1.0200   4.3990   1.0190 -0.4903000 1.442000 
1 1 1   26    6   22 o   3.8970   0.7571   3.7410   1.0580   4.0530   1.0830 -0.3121000 1.514000 
1 1 1   26    6   23 o   5.3600   0.5963   5.7240   0.7418   4.9960   0.9338 0.7277000 1.193000 
1 1 1   26    6   24 o   2.0360   0.9707   2.0360   0.9707  ?   ?       ?      ? 
1 1 1   26    6   25 o   2.2390   0.7002   2.0450   0.9317   2.4330   1.0460 -0.3873000 1.400000 
1 1 1   26    6   26 o   3.6730   0.8097   3.5760   1.1240   3.7690   1.1650 -0.1932000 1.619000 
1 1 1   26    6   27 o   2.2920   0.6987   2.7630   1.0860   1.8220   0.8798 0.9414000 1.397000 
1 1 1   26    6   28 o   2.1850   0.7554   1.8960   0.9399   2.4750   1.1830 -0.5793000 1.511000 
1 1 1   26    8    0 o   25.240   0.1715   25.430   0.2581   25.060   0.2260 0.3726000 0.3430000 
1 1 1   26    8    1 o   24.730   0.2739   25.370   0.4988   24.080   0.2264 1.289000 0.5478000 
1 1 1   26    8    2 o   52.540   0.4804   52.760   0.7912   52.320   0.5452 0.4335000 0.9609000 
1 1 1   26    8    3 o   47.730   0.4199   48.030   0.7345   47.420   0.4074 0.6061000 0.8399000 
1 1 1   26    8    4 o   34.030   0.2558   33.630   0.3992   34.430   0.3199 -0.7978000 0.5115000 
1 1 1   26    8    5 o   57.950   0.3467   58.110   0.4919   57.780   0.4885 0.3328000 0.6933000 
1 1 1   26    8    6 o   28.180   0.2261   27.900   0.3452   28.450   0.2919 -0.5491000 0.4521000 
1 1 1   26    8    7 o   2.6690   0.6963   2.7110   0.9901   2.6270   0.9793 0.8308000E-01 1.393000 
1 1 1   26    8    8 o   5.5040   0.4867   5.5970   0.6777   5.4110   0.6987 0.1859000 0.9734000 
1 1 1   26    8    9 o   12.870   0.2626   13.190   0.3871   12.550   0.3549 0.6411000 0.5252000 
1 1 1   26    8   10 o   18.830   0.2404   18.860   0.3687   18.800   0.3086 0.6578000E-01 0.4808000 
1 1 1   26    8   11 o   20.320   0.2899   20.060   0.4253   20.590   0.3940 -0.5236000 0.5798000 
1 1 1   26    8   12 o   13.190   0.3298   13.060   0.5342   13.310   0.3871 -0.2535000 0.6597000 
1 1 1   26    8   13 o   27.050   0.2312   27.130   0.3330   26.970   0.3208 0.1656000 0.4624000 
1 1 1   26    8   14 o   6.0770   0.5720   6.8990   0.7125   5.2560   0.8951 1.643000 1.144000 
1 1 1   26    8   15 o   10.950   0.3506   11.360   0.4519   10.540   0.5362 0.8116000 0.7012000 
1 1 1   26    8   16 f   11.040   0.4037   10.910   0.6018   11.170   0.5382 -0.2633000 0.8074000 
1 1 1   26    8   17 o   6.3800   0.5231   6.1760   0.7814   6.5840   0.6957 -0.4080000 1.046000 
1 1 1   26    8   18 o   6.2460   0.5397   6.6590   0.7288   5.8340   0.7961 0.8243000 1.079000 
1 1 1   26    8   19 f   10.500   0.3360   10.560   0.4858   10.430   0.4643 0.1279000 0.6721000 
1 1 1   26    8   20 o   6.1820   0.5712   5.3870   0.9222   6.9770   0.6743 -1.590000 1.142000 
1 1 1   26    8   21 o   5.6890   0.6039   5.9020   0.8410   5.4760   0.8669 0.4262000 1.208000 
1 1 1   26    8   22 o   11.360   0.3293   11.360   0.4747   11.350   0.4566 0.1161000E-01 0.6586000 
1 1 1   26    8   23 o   4.8170   0.7021   4.8540   0.9972   4.7800   0.9886 0.7435000E-01 1.404000 
1 1 1   26    8   24 o   2.3150   0.7373   1.7030   0.8327   2.9260   1.2170 -1.222000 1.475000 
1 1 1   26    8   25 o   2.9260   0.7892   2.6090   1.0600   3.2430   1.1700 -0.6341000 1.578000 
1 1 1   26    8   26 o   2.0080   0.6590   2.0230   0.9318   1.9920   0.9322 0.3055000E-01 1.318000 
1 1 1   26    8   27 f   2.0950   0.7028   2.0490   0.9673   2.1410   1.0200 -0.9267000E-01 1.406000 
1 1 1   26    8   28 o   2.5500   0.7958   2.4720   1.1070   2.6280   1.1440 -0.1557000 1.592000 
1 1 1   26   10    0 o   11.790   0.2018   11.870   0.3015   11.720   0.2682 0.1440000 0.4035000 
1 1 1   26   10    1 o   47.330   0.2713   47.110   0.4077   47.550   0.3579 -0.4417000 0.5425000 
1 1 1   26   10    2 f   6.4970   0.3383   6.8290   0.4790   6.1660   0.4777 0.6637000 0.6765000 
1 1 1   26   10    3 o   16.440   0.1961   16.180   0.2827   16.700   0.2718 -0.5183000 0.3921000 
1 1 1   26   10    4 o   31.020   0.3263   30.670   0.5741   31.370   0.3104 -0.7000000 0.6526000 
1 1 1   26   10    5 o   13.050   0.3921   12.960   0.7157   13.150   0.3206 -0.1862000 0.7842000 
1 1 1   26   10    6 o   23.920   0.3244   23.940   0.5773   23.910   0.2959 0.2742000E-01 0.6487000 
1 1 1   26   10    7 o   14.360   0.2549   13.960   0.3879   14.770   0.3308 -0.8068000 0.5098000 
1 1 1   26   10    8 o   17.900   0.2407   18.510   0.3646   17.290   0.3144 1.221000 0.4815000 
1 1 1   26   10    9 o   13.660   0.2617   13.310   0.3844   14.010   0.3554 -0.7058000 0.5235000 
1 1 1   26   10   10 o   14.390   0.3307   14.350   0.4705   14.430   0.4648 -0.8188000E-01 0.6613000 
1 1 1   26   10   11 o   3.0140   0.7808   3.3280   1.1340   2.6990   1.0740 0.6293000 1.562000 
1 1 1   26   10   12 o   9.4570   0.3522   9.3150   0.5107   9.6000   0.4852 -0.2850000 0.7044000 
1 1 1   26   10   13 o   6.4020   0.5118   6.2470   0.7535   6.5570   0.6929 -0.3096000 1.024000 
1 1 1   26   10   14 o   9.2370   0.3986   9.2360   0.5386   9.2390   0.5877 -0.3732000E-02 0.7972000 
1 1 1   26   10   15 o   8.1520   0.5243   8.6700   0.7496   7.6350   0.7333 1.035000 1.049000 
1 1 1   26   10   16 o   10.150   0.4109   10.330   0.5199   9.9640   0.6365 0.3632000 0.8219000 
1 1 1   26   10   17 o   7.2510   0.4777   7.3480   0.6980   7.1550   0.6524 0.1931000 0.9555000 
1 1 1   26   10   18 o   11.210   0.3341   11.600   0.4745   10.820   0.4704 0.7884000 0.6682000 
1 1 1   26   10   19 o   11.480   0.3281   12.280   0.4645   10.670   0.4635 1.603000 0.6562000 
1 1 1   26   10   20 o   2.8180   0.7850   2.9960   1.1480   2.6400   1.0710 0.3565000 1.570000 
1 1 1   26   10   21 o   3.6550   0.8071   3.5060   1.1750   3.8040   1.1070 -0.2979000 1.614000 
1 1 1   26   10   22 o   5.4710   0.6988   5.3570   1.1300   5.5850   0.8229 -0.2285000 1.398000 
1 1 1   26   10   23 o   3.7000   0.9332   3.9860   1.3550   3.4130   1.2830 0.5732000 1.866000 
1 1 1   26   10   24 o   3.2120   0.8067   2.6800   1.1090   3.7430   1.1710 -1.063000 1.613000 
1 1 1   26   10   25 o   3.5860   0.8176   4.1450   1.1700   3.0270   1.1420 1.118000 1.635000 
1 1 1   26   10   26 o   1.5360   0.5432   1.4730   0.7431   1.5980   0.7925 -0.1256000 1.086000 
1 1 1   26   10   27 o   3.3430   0.9357   3.9730   1.3890   2.7120   1.2540 1.261000 1.871000 
1 1 1   26   12    0 o   40.480   0.2435   40.710   0.3685   40.240   0.3186 0.4737000 0.4871000 
1 1 1   26   12    1 o   20.930   0.1963   20.670   0.2773   21.180   0.2780 -0.5080000 0.3927000 
1 1 1   26   12    2 o   12.410   0.2647   11.790   0.4395   13.020   0.2949 -1.225000 0.5293000 
1 1 1   26   12    3 o   11.520   0.2454   11.800   0.3577   11.250   0.3361 0.5441000 0.4908000 
1 1 1   26   12    4 o   18.880   0.2312   18.920   0.3506   18.840   0.3015 0.8735000E-01 0.4625000 
1 1 1   26   12    5 o   22.890   0.2318   23.000   0.3570   22.780   0.2958 0.2241000 0.4637000 
1 1 1   26   12    6 o   7.4930   0.4258   7.0910   0.6602   7.8960   0.5380 -0.8052000 0.8516000 
1 1 1   26   12    7 o   12.320   0.4808   12.270   0.8784   12.360   0.3914 -0.9463000E-01 0.9616000 
1 1 1   26   12    8 o   17.930   0.4225   17.450   0.7295   18.410   0.4264 -0.9512000 0.8450000 
1 1 1   26   12    9 o   20.180   0.3981   19.990   0.6777   20.380   0.4181 -0.3917000 0.7962000 
1 1 1   26   12   10 o   2.6420   0.7606   2.7990   1.1060   2.4850   1.0450 0.3139000 1.521000 
1 1 1   26   12   11 o   8.9780   0.3747   9.1220   0.5269   8.8330   0.5331 0.2891000 0.7495000 
1 1 1   26   12   12 o   14.200   0.2907   14.110   0.3875   14.290   0.4334 -0.1846000 0.5814000 
1 1 1   26   12   13 o   11.090   0.3164   11.400   0.4504   10.780   0.4446 0.6168000 0.6329000 
1 1 1   26   12   14 o   4.5710   0.8444   5.6110   1.1470   3.5310   1.2400 2.080000 1.689000 
1 1 1   26   12   15 o   5.3650   0.6347   5.4200   0.9130   5.3110   0.8820 0.1086000 1.269000 
1 1 1   26   12   16 o   4.5100   0.6771   6.1860   0.7842   2.8350   1.1040 3.351000 1.354000 
1 1 1   26   12   17 o   6.0210   0.5893   5.1000   0.9644   6.9410   0.6776 -1.841000 1.179000 
1 1 1   26   12   18 o   9.0430   0.3945   8.9400   0.5803   9.1460   0.5347 -0.2054000 0.7891000 
1 1 1   26   12   19 o   3.0550   0.7957   2.8880   1.1300   3.2220   1.1200 -0.3345000 1.591000 
1 1 1   26   12   20 o   2.7740   0.7766   2.7420   1.1140   2.8060   1.0820 -0.6415000E-01 1.553000 
1 1 1   26   12   21 o   5.7070   0.6664   5.3870   1.1000   6.0280   0.7523 -0.6414000 1.333000 
1 1 1   26   12   22 o   2.3250   0.7681   2.4400   1.1290   2.2100   1.0420 0.2302000 1.536000 
1 1 1   26   12   23 o   4.5020   0.7986   3.8910   1.2530   5.1140   0.9905 -1.223000 1.597000 
1 1 1   26   12   24 f   2.8340   0.8102   2.8910   1.1660   2.7760   1.1250 0.1143000 1.620000 
1 1 1   26   12   25 o   2.2610   0.7238   2.1230   0.9962   2.3990   1.0500 -0.2757000 1.448000 
1 1 1   26   12   26 o   3.2090   0.8651   3.5030   1.2250   2.9150   1.2220 0.5888000 1.730000 
1 1 1   26   14    0 o   6.3620   0.4826   6.9420   0.6665   5.7830   0.6982 1.159000 0.9652000 
1 1 1   26   14    1 o   24.240   0.2323   24.530   0.3553   23.940   0.2995 0.5959000 0.4647000 
1 1 1   26   14    2 o   3.6760   0.6591   4.8900   0.8912   2.4620   0.9713 2.427000 1.318000 
1 1 1   26   14    3 o   13.470   0.2458   13.460   0.3703   13.480   0.3233 -0.2351000E-01 0.4915000 
1 1 1   26   14    4 o   4.7960   0.6314   4.1410   1.0490   5.4520   0.7037 -1.311000 1.263000 
1 1 1   26   14    5 o   17.250   0.2247   17.210   0.3363   17.290   0.2982 -0.7385000E-01 0.4495000 
1 1 1   26   14    6 o   28.370   0.2935   27.950   0.4148   28.790   0.4153 -0.8363000 0.5870000 
1 1 1   26   14    7 o   6.6580   0.6290   6.5200   0.8830   6.7970   0.8961 -0.2776000 1.258000 
1 1 1   26   14    8 o   4.5890   0.7072   4.5400   1.0310   4.6380   0.9683 -0.9765000E-01 1.414000 
1 1 1   26   14    9 o   14.980   0.3265   14.820   0.5025   15.150   0.4170 -0.3327000 0.6530000 
1 1 1   26   14   10 o   4.8690   0.9552   3.9900   1.6460   5.7490   0.9694 -1.759000 1.910000 
1 1 1   26   14   11 o   16.440   0.4173   16.520   0.7549   16.360   0.3561 0.1673000 0.8347000 
1 1 1   26   14   12 o   5.7960   0.9479   6.5900   1.6260   5.0030   0.9743 1.587000 1.896000 
1 1 1   26   14   13 o   2.7520   0.8193   2.4290   1.1100   3.0750   1.2060 -0.6462000 1.639000 
1 1 1   26   14   14 o   8.3150   0.4168   9.4110   0.5372   7.2200   0.6375 2.192000 0.8336000 
1 1 1   26   14   15 o   9.1160   0.3798   8.9660   0.5565   9.2670   0.5171 -0.3003000 0.7597000 
1 1 1   26   14   16 o   3.4890   0.7209   2.4060   1.0460   4.5720   0.9926 -2.166000 1.442000 
1 1 1   26   14   17 o   3.2080   0.8076   3.2450   1.1590   3.1700   1.1250 0.7454000E-01 1.615000 
1 1 1   26   14   18 o   3.9530   0.7919   4.0030   1.1410   3.9020   1.0990 0.1017000 1.584000 
1 1 1   26   14   19 o   6.2560   0.5625   7.2050   0.7121   5.3070   0.8709 1.897000 1.125000 
1 1 1   26   14   20 o   3.9260   0.8394   4.0970   1.2660   3.7550   1.1020 0.3421000 1.679000 
1 1 1   26   14   21 o   3.9700   0.9389   3.8020   1.3400   4.1380   1.3150 -0.3363000 1.878000 
1 1 1   26   14   22 o   2.7900   0.7647   3.5420   1.2020   2.0380   0.9460 1.504000 1.529000 
1 1 1   26   14   23 o   3.0950   0.8111   2.7460   1.1370   3.4440   1.1570 -0.6985000 1.622000 
1 1 1   26   14   24 o   2.4160   0.7464   2.7670   1.1430   2.0650   0.9598 0.7017000 1.493000 
1 1 1   26   14   25 o   4.1300   0.8366   3.0590   1.1920   5.2010   1.1740 -2.142000 1.673000 
1 1 1   26   16    0 o   8.8430   0.3427   8.9340   0.5208   8.7520   0.4455 0.1817000 0.6853000 
1 1 1   26   16    1 o   2.8630   0.7391   2.9140   1.0780   2.8120   1.0110 0.1018000 1.478000 
1 1 1   26   16    2 o   14.750   0.2386   15.540   0.3488   13.960   0.3256 1.587000 0.4772000 
1 1 1   26   16    3 o   19.220   0.2651   19.370   0.4033   19.070   0.3444 0.2994000 0.5303000 
1 1 1   26   16    4 o   2.8610   0.8060   3.4550   1.2540   2.2660   1.0130 1.189000 1.612000 
1 1 1   26   16    5 o   7.2870   0.4145   7.1430   0.6272   7.4310   0.5421 -0.2882000 0.8290000 
1 1 1   26   16    6 o   2.5210   0.7348   2.4280   1.0280   2.6150   1.0510 -0.1867000 1.470000 
1 1 1   26   16    7 o   13.440   0.3054   12.770   0.4122   14.110   0.4506 -1.333000 0.6108000 
1 1 1   26   16    8 o   3.4080   0.7724   4.1390   1.0790   2.6770   1.1050 1.462000 1.545000 
1 1 1   26   16    9 o   13.260   0.2835   12.740   0.4110   13.790   0.3905 -1.047000 0.5669000 
1 1 1   26   16   10 o   7.3700   0.4757   7.5660   0.6449   7.1740   0.6995 0.3916000 0.9514000 
1 1 1   26   16   11 o   3.1830   0.8656   2.5820   1.1510   3.7840   1.2930 -1.202000 1.731000 
1 1 1   26   16   12 o   5.8180   0.6122   6.2320   0.8239   5.4040   0.9058 0.8282000 1.224000 
1 1 1   26   16   13 o   4.1390   0.9597   3.9590   1.6130   4.3200   1.0400 -0.3611000 1.919000 
1 1 1   26   16   14 o   5.4780   0.9362   5.0560   1.7010   5.9010   0.7834 -0.8449000 1.872000 
1 1 1   26   16   15 o   3.2100   0.8620   2.7240   1.3050   3.6970   1.1260 -0.9734000 1.724000 
1 1 1   26   16   16 o   4.0110   0.7954   3.7690   1.1900   4.2540   1.0560 -0.4846000 1.591000 
1 1 1   26   16   17 o   7.3530   0.4709   7.5310   0.6692   7.1740   0.6627 0.3570000 0.9418000 
1 1 1   26   16   18 o   2.3550   0.7317   2.0980   0.9947   2.6120   1.0730 -0.5140000 1.463000 
1 1 1   26   16   19 o   3.7760   0.7821   4.6350   1.1090   2.9170   1.1030 1.718000 1.564000 
1 1 1   26   16   20 o   2.3410   0.7683   2.1040   1.0080   2.5790   1.1590 -0.4750000 1.537000 
1 1 1   26   16   21 o   2.5090   0.7569   2.3770   1.0590   2.6410   1.0820 -0.2644000 1.514000 
1 1 1   26   16   22 o   3.4370   0.7594   2.4160   1.0740   4.4570   1.0740 -2.041000 1.519000 
1 1 1   26   16   23 o   2.3680   0.7542   2.0320   0.9637   2.7030   1.1600 -0.6705000 1.508000 
1 1 1   26   16   24 f   3.1300   0.8238   2.7110   1.1360   3.5490   1.1930 -0.8383000 1.648000 
1 1 1   26   18    0 o   17.190   0.2773   17.320   0.3481   17.050   0.4318 0.2715000 0.5546000 
1 1 1   26   18    1 o   7.7810   0.4141   7.5480   0.6002   8.0140   0.5708 -0.4655000 0.8283000 
1 1 1   26   18    2 o   4.0110   0.7398   4.3630   0.9998   3.6590   1.0910 0.7040000 1.480000 
1 1 1   26   18    3 o   9.5000   0.3319   9.5170   0.4926   9.4840   0.4449 0.3316000E-01 0.6637000 
1 1 1   26   18    4 o   4.3710   0.6908   5.1310   0.9076   3.6110   1.0420 1.521000 1.382000 
1 1 1   26   18    5 o   15.060   0.2500   15.230   0.3721   14.880   0.3341 0.3484000 0.5001000 
1 1 1   26   18    6 o   15.490   0.2480   15.510   0.3738   15.470   0.3261 0.3844000E-01 0.4960000 
1 1 1   26   18    7 o   15.700   0.2466   15.600   0.3704   15.800   0.3256 -0.1987000 0.4932000 
1 1 1   26   18    8 o   10.570   0.3970   10.400   0.6269   10.740   0.4873 -0.3418000 0.7940000 
1 1 1   26   18    9 o   3.2670   0.8693   2.8860   1.2170   3.6470   1.2420 -0.7610000 1.739000 
1 1 1   26   18   10 o   5.5420   0.6272   4.9950   0.9781   6.0900   0.7855 -1.096000 1.254000 
1 1 1   26   18   11 o   5.7720   0.6095   6.4540   0.7427   5.0910   0.9666 1.363000 1.219000 
1 1 1   26   18   12 o   8.6530   0.4089   9.0070   0.5570   8.2990   0.5989 0.7080000 0.8179000 
1 1 1   26   18   13 o   2.4500   0.7327   2.0510   0.9571   2.8490   1.1100 -0.7974000 1.465000 
1 1 1   26   18   14 o   4.0170   0.7810   4.6420   1.0720   3.3930   1.1360 1.249000 1.562000 
1 1 1   26   18   15 o   3.9250   0.6973   2.5310   1.0800   5.3190   0.8823 -2.788000 1.395000 
1 1 1   26   18   16 o   2.7710   1.1020  ?   ?    2.7710   1.1020      ?      ? 
1 1 1   26   18   17 o   2.7570   0.8937   3.2810   1.4830   2.2320   0.9977 1.048000 1.787000 
1 1 1   26   18   18 o   3.0480   0.9475   3.0820   1.4220   3.0150   1.2530 0.6639000E-01 1.895000 
1 1 1   26   18   19 o   3.4570   1.0100   3.4400   1.5320   3.4750   1.3180 -0.3548000E-01 2.021000 
1 1 1   26   18   20 o   4.2060   0.8124   3.9940   1.2200   4.4180   1.0730 -0.4235000 1.625000 
1 1 1   26   18   21 o   4.0020   0.7793   3.0090   1.1850   4.9950   1.0120 -1.987000 1.559000 
1 1 1   26   18   22 o   2.7280   0.8167   2.6560   1.1280   2.7990   1.1810 -0.1433000 1.633000 
1 1 1   26   20    0 o   10.960   0.2812   11.160   0.3901   10.770   0.4052 0.3836000 0.5625000 
1 1 1   26   20    1 o   4.9130   0.6450   4.0910   1.0670   5.7350   0.7247 -1.643000 1.290000 
1 1 1   26   20    2 f   9.0710   0.3507   9.2360   0.5139   8.9070   0.4775 0.3289000 0.7015000 
1 1 1   26   20    3 o   4.2520   0.6919   4.8460   0.9282   3.6570   1.0260 1.189000 1.384000 
1 1 1   26   20    4 o   3.0480   0.7873   2.3920   1.0890   3.7040   1.1380 -1.312000 1.575000 
1 1 1   26   20    5 o   8.7340   0.4700   7.9310   0.7689   9.5360   0.5406 -1.605000 0.9399000 
1 1 1   26   20    6 o   8.7850   0.3789   8.5710   0.5791   8.9980   0.4887 -0.4263000 0.7577000 
1 1 1   26   20    7 o   2.3070   0.7001   2.1710   0.9808   2.4430   0.9993 -0.2723000 1.400000 
1 1 1   26   20    8 o   4.4840   0.6998   4.7630   1.0060   4.2050   0.9732 0.5587000 1.400000 
1 1 1   26   20    9 o   5.1900   0.6216   5.0090   0.9547   5.3710   0.7961 -0.3622000 1.243000 
1 1 1   26   20   10 o   3.2650   0.7711   3.9210   1.1370   2.6080   1.0420 1.313000 1.542000 
1 1 1   26   20   11 o   3.0200   0.7945   2.6690   1.1000   3.3710   1.1470 -0.7023000 1.589000 
1 1 1   26   20   12 o   2.2780   0.7035   2.8010   1.1180   1.7560   0.8536 1.044000 1.407000 
1 1 1   26   20   13 f   5.0380   0.7578   4.2330   1.2400   5.8440   0.8708 -1.611000 1.516000 
1 1 1   26   20   14 o   6.3580   0.6236   6.2000   0.9750   6.5170   0.7779 -0.3169000 1.247000 
1 1 1   26   20   15 o   7.1600   0.5243   6.6660   0.8145   7.6530   0.6604 -0.9872000 1.049000 
1 1 1   26   20   16 o   3.4920   0.8768   3.7570   1.1960   3.2260   1.2820 0.5310000 1.754000 
1 1 1   26   20   17 o   2.5770   0.8147   2.8430   1.2180   2.3100   1.0820 0.5330000 1.629000 
1 1 1   26   20   18 o   4.6720   0.7693   5.2930   1.0310   4.0520   1.1420 1.241000 1.539000 
1 1 1   26   20   19 f   2.0970   0.6902   2.3860   1.0730   1.8090   0.8683 0.5761000 1.380000 
1 1 1   26   20   20 f   2.2360   0.7878   2.7910   1.3370   1.6800   0.8338 1.111000 1.576000 
1 1 1   26   20   21 o   2.3790   0.8281   2.5400   1.2490   2.2180   1.0880 0.3220000 1.656000 
1 1 1   26   22    0 o   14.180   0.2900   14.200   0.4150   14.160   0.4052 0.3536000E-01 0.5800000 
1 1 1   26   22    1 o   12.520   0.2949   12.160   0.4571   12.880   0.3728 -0.7206000 0.5899000 
1 1 1   26   22    2 o   7.4120   0.4252   7.4170   0.6365   7.4060   0.5641 0.1103000E-01 0.8505000 
1 1 1   26   22    3 o   2.6050   0.7350   2.8820   1.0960   2.3280   0.9792 0.5537000 1.470000 
1 1 1   26   22    4 o   2.4390   0.7210   2.5130   1.0530   2.3650   0.9847 0.1479000 1.442000 
1 1 1   26   22    5 o   3.2120   0.7747   3.2890   1.1320   3.1350   1.0580 0.1542000 1.549000 
1 1 1   26   22    6 o   2.0450   0.6520   1.7800   0.8594   2.3090   0.9808 -0.5297000 1.304000 
1 1 1   26   22    7 o   8.2880   0.3993   8.2220   0.6161   8.3540   0.5082 -0.1327000 0.7986000 
1 1 1   26   22    8 o   2.8000   0.7692   3.0130   1.1390   2.5860   1.0340 0.4275000 1.538000 
1 1 1   26   22    9 o   7.1080   0.4812   6.2350   0.7981   7.9800   0.5378 -1.745000 0.9623000 
1 1 1   26   22   10 o   4.6580   0.7941   4.6140   1.2080   4.7020   1.0310 -0.8826000E-01 1.588000 
1 1 1   26   22   11 o   5.3000   0.7119   5.2810   1.0950   5.3200   0.9098 -0.3843000E-01 1.424000 
1 1 1   26   22   12 o   2.1450   0.6870   2.2840   1.0250   2.0060   0.9146 0.2781000 1.374000 
1 1 1   26   22   13 o   5.8600   0.6426   5.7570   0.9139   5.9630   0.9035 -0.2059000 1.285000 
1 1 1   26   22   14 o   4.3610   0.9086   5.4980   1.2070   3.2240   1.3580 2.275000 1.817000 
1 1 1   26   22   15 o   3.5290   0.9507   3.0410   1.2690   4.0170   1.4160 -0.9753000 1.901000 
1 1 1   26   22   16 o   2.2210   0.6965   1.5740   0.7862   2.8680   1.1500 -1.294000 1.393000 
1 1 1   26   22   17 f   2.1350   0.7109   1.9500   0.9364   2.3190   1.0700 -0.3697000 1.422000 
1 1 1   26   22   18 o   2.3120   0.7434   2.0300   0.9598   2.5940   1.1350 -0.5643000 1.487000 
1 1 1   26   24    0 o   9.8590   0.3208   9.9470   0.4556   9.7720   0.4518 0.1747000 0.6417000 
1 1 1   26   24    1 o   4.2400   0.7380   4.1790   1.1190   4.3010   0.9623 -0.1224000 1.476000 
1 1 1   26   24    2 o   2.3240   0.7044   2.8350   1.1230   1.8120   0.8502 1.023000 1.409000 
1 1 1   26   24    3 o   2.2480   0.6933   2.1170   0.9646   2.3800   0.9961 -0.2631000 1.387000 
1 1 1   26   24    4 o   2.5900   0.7713   2.5770   1.1060   2.6040   1.0760 -0.2619000E-01 1.543000 
1 1 1   26   24    5 o   2.9540   0.7950   2.5430   1.1070   3.3650   1.1410 -0.8223000 1.590000 
1 1 1   26   24    6 o   3.6180   0.7616   2.7000   1.1380   4.5370   1.0120 -1.838000 1.523000 
1 1 1   26   24    7 o   2.4050   0.7182   2.8220   1.1170   1.9880   0.9029 0.8343000 1.436000 
1 1 1   26   24    8 o   4.0680   0.7239   5.1470   0.9710   2.9890   1.0740 2.158000 1.448000 
1 1 1   26   24    9 o   1.8430   0.6206   2.0230   0.9467   1.6630   0.8027 0.3597000 1.241000 
1 1 1   26   24   10 o   2.0590   0.6569   1.6650   0.8315   2.4540   1.0170 -0.7888000 1.314000 
1 1 1   26   24   11 o   2.5340   0.7913   2.7480   1.1920   2.3210   1.0410 0.4271000 1.583000 
1 1 1   26   24   12 o   6.7310   0.6709   6.1290   1.1190   7.3340   0.7401 -1.205000 1.342000 
1 1 1   26   24   13 o   5.1340   0.6910   5.8900   0.9168   4.3790   1.0340 1.511000 1.382000 
1 1 1   26   24   14 o   2.1040   0.6870   2.5110   1.0930   1.6970   0.8326 0.8134000 1.374000 
1 1 1   26   24   15 o   3.6990   0.8957   3.7740   1.2390   3.6240   1.2940 0.1502000 1.791000 
1 1 1   26   24   16 o   2.0410   0.7081   2.1240   1.0340   1.9570   0.9675 0.1670000 1.416000 
1 1 1   26   26    0 o   5.4260   0.5746   4.9050   0.8986   5.9460   0.7162 -1.042000 1.149000 
1 1 1   26   26    1 o   7.4340   0.4604   7.4250   0.7072   7.4420   0.5898 -0.1740000E-01 0.9209000 
1 1 1   26   26    2 o   4.3260   0.7514   4.5810   1.0990   4.0720   1.0250 0.5092000 1.503000 
1 1 1   26   26    3 o   7.4410   0.4539   6.8030   0.7245   8.0790   0.5469 -1.276000 0.9077000 
1 1 1   26   26    4 o   3.8520   0.7633   3.4510   1.1520   4.2530   1.0020 -0.8024000 1.527000 
1 1 1   26   26    5 o   4.6270   0.7061   4.5580   1.0670   4.6960   0.9250 -0.1379000 1.412000 
1 1 1   26   26    6 o   5.6820   0.5921   5.8280   0.8806   5.5370   0.7919 0.2914000 1.184000 
1 1 1   26   26    7 o   3.4160   0.8358   4.4650   1.2910   2.3670   1.0610 2.097000 1.672000 
1 1 1   26   26    8 o   3.5300   0.8579   2.9400   1.2260   4.1190   1.2010 -1.179000 1.716000 
1 1 1   26   26    9 o   2.6740   0.7384   2.0070   0.9750   3.3410   1.1090 -1.334000 1.477000 
1 1 1   26   26   10 o   2.6650   0.7792   2.4440   1.0720   2.8850   1.1310 -0.4402000 1.558000 
1 1 1   26   26   11 o   2.4740   0.7525   2.7780   1.1320   2.1710   0.9920 0.6069000 1.505000 
1 1 1   26   26   12 o   2.9840   0.7985   3.0250   1.1620   2.9440   1.0950 0.8082000E-01 1.597000 
1 1 1   26   28    0 o   1.8470   0.6399   1.6380   0.8030   2.0550   0.9966 -0.4171000 1.280000 
1 1 1   26   28    1 o   2.8240   0.8259   3.3950   1.2930   2.2530   1.0280 1.142000 1.652000 
1 1 1   26   28    2 o   5.5840   0.7794   4.8520   1.2880   6.3160   0.8786 -1.464000 1.559000 
1 1 1   26   28    3 o   3.1070   0.8795   3.5650   1.3070   2.6500   1.1780 0.9152000 1.759000 
1 1 1   26   28    4 o   2.8000   0.7963   2.8060   1.1290   2.7930   1.1230 0.1341000E-01 1.593000 
1 1 1   26   28    5 o   2.2840   0.7167   1.9470   0.9224   2.6200   1.0970 -0.6735000 1.433000 
1 1 1   26   28    6 o   2.0710   0.6745   2.3320   1.0270   1.8100   0.8746 0.5219000 1.349000 
1 1 1   26   28    7 o   2.2390   0.7045   2.3060   1.0260   2.1710   0.9656 0.1351000 1.409000 
1 1 1   27    1    0 o   10.700   0.1729   10.580   0.2507   10.830   0.2383 -0.2490000 0.3459000 
1 1 1   27    1    1 o   7.8360   0.2157   7.7890   0.3452   7.8820   0.2587 -0.9312000E-01 0.4314000 
1 1 1   27    1    2 f   25.550   0.1915   25.240   0.2964   25.860   0.2425 -0.6203000 0.3829000 
1 1 1   27    1    3 o   32.350   0.2293   32.330   0.3566   32.360   0.2884 -0.2678000E-01 0.4586000 
1 1 1   27    1    4 o   21.330   0.2976   21.330   0.2976  ?   ?       ?      ? 
1 1 1   27    1    5 o   21.480   0.2672   21.180   0.4415   21.790   0.3012 -0.6062000 0.5344000 
1 1 1   27    1    6 o   36.590   0.2320   36.690   0.3295   36.480   0.3267 0.2090000 0.4640000 
1 1 1   27    1    7 o   41.170   0.2562   41.020   0.3617   41.320   0.3629 -0.2982000 0.5124000 
1 1 1   27    1    8 o   20.050   0.1871   19.800   0.2656   20.300   0.2636 -0.5070000 0.3742000 
1 1 1   27    1    9 o   27.040   0.2037   27.090   0.2897   26.980   0.2863 0.1105000 0.4073000 
1 1 1   27    1   10 o   25.920   0.2042   26.280   0.2913   25.550   0.2863 0.7259000 0.4084000 
1 1 1   27    1   11 o   3.3190   0.7341   2.9550   1.0540   3.6830   1.0220 -0.7283000 1.468000 
1 1 1   27    1   12 o   6.8910   0.4897   6.5640   0.7715   7.2170   0.6032 -0.6538000 0.9793000 
1 1 1   27    1   13 o   20.460   0.2651   20.300   0.3704   20.620   0.3793 -0.3119000 0.5302000 
1 1 1   27    1   14 o   18.240   0.2319   18.030   0.3276   18.450   0.3282 -0.4139000 0.4637000 
1 1 1   27    1   15 o   11.160   0.3127   11.270   0.4366   11.050   0.4477 0.2165000 0.6254000 
1 1 1   27    1   16 o   3.5440   0.7476   4.4770   1.0380   2.6120   1.0770 1.865000 1.495000 
1 1 1   27    1   17 o   8.1940   0.7887   7.4230   1.2420   8.9640   0.9721 -1.542000 1.577000 
1 1 1   27    1   18 o   2.5960   0.7593   2.7660   1.1020   2.4270   1.0450 0.3395000 1.519000 
1 1 1   27    1   19 o   2.9080   0.7841   2.8460   1.1040   2.9690   1.1140 -0.1233000 1.568000 
1 1 1   27    1   20 o   2.4390   0.7018   1.7510   0.8460   3.1280   1.1200 -1.377000 1.404000 
1 1 1   27    1   21 o   9.4530   0.3789   8.8150   0.5669   10.090   0.5029 -1.276000 0.7578000 
1 1 1   27    1   22 o   2.2940   0.6989   2.8460   1.1130   1.7410   0.8452 1.105000 1.398000 
1 1 1   27    1   23 o   5.2670   0.6587   5.8400   0.8326   4.6950   1.0210 1.144000 1.317000 
1 1 1   27    1   24 o   6.6160   0.5232   7.1020   0.6860   6.1300   0.7901 0.9721000 1.046000 
1 1 1   27    1   25 o   2.3830   0.7614   2.2320   1.0370   2.5330   1.1150 -0.3004000 1.523000 
1 1 1   27    1   26 o   2.3410   0.7302   2.3980   1.0490   2.2840   1.0160 0.1141000 1.460000 
1 1 1   27    1   27 o   2.1690   0.6990   2.3630   1.0400   1.9740   0.9341 0.3883000 1.398000 
1 1 1   27    1   28 o   2.0610   0.6723   1.5490   0.7738   2.5730   1.1000 -1.024000 1.345000 
1 1 1   27    1   29 o   2.2980   0.7973   2.6480   1.2570   1.9490   0.9814 0.6983000 1.595000 
1 1 1   27    3    0 o   46.190   0.4160   46.460   0.6852   45.920   0.4719 0.5388000 0.8319000 
1 1 1   27    3    1 o   8.1110   0.1827   7.9760   0.2649   8.2470   0.2517 -0.2706000 0.3654000 
1 1 1   27    3    2 o   13.820   0.1511   13.950   0.2134   13.700   0.2141 0.2540000 0.3023000 
1 1 1   27    3    3 o   9.8630   0.2028   9.5880   0.2785   10.140   0.2949 -0.5508000 0.4057000 
1 1 1   27    3    4 o   47.100   0.3475   47.260   0.4935   46.940   0.4894 0.3227000 0.6950000 
1 1 1   27    3    5 o   35.870   0.2794   35.610   0.3937   36.140   0.3967 -0.5328000 0.5589000 
1 1 1   27    3    6 o   27.500   0.1937   27.630   0.2750   27.360   0.2727 0.2683000 0.3873000 
1 1 1   27    3    7 o   29.550   0.2051   29.710   0.2924   29.380   0.2878 0.3312000 0.4103000 
1 1 1   27    3    8 f   18.610   0.1901   18.550   0.2707   18.680   0.2669 -0.1326000 0.3802000 
1 1 1   27    3    9 o   11.940   0.2364   12.360   0.3315   11.520   0.3373 0.8431000 0.4729000 
1 1 1   27    3   10 o   23.910   0.2019   23.660   0.2859   24.170   0.2852 -0.5089000 0.4039000 
1 1 1   27    3   11 o   5.0130   0.5791   5.2320   0.7831   4.7940   0.8534 0.4379000 1.158000 
1 1 1   27    3   12 o   19.650   0.2117   19.990   0.2933   19.310   0.3055 0.6847000 0.4234000 
1 1 1   27    3   13 o   21.400   0.2467   21.830   0.3160   20.980   0.3790 0.8530000 0.4935000 
1 1 1   27    3   14 o   3.2930   0.7614   3.4300   1.0420   3.1560   1.1110 0.2738000 1.523000 
1 1 1   27    3   15 o   11.360   0.2882   11.090   0.3865   11.640   0.4277 -0.5493000 0.5765000 
1 1 1   27    3   16 o   3.0770   0.7701   2.7490   1.0410   3.4060   1.1350 -0.6572000 1.540000 
1 1 1   27    3   17 o   5.0300   0.9349   4.2660   1.2910   5.7930   1.3520 -1.527000 1.870000 
1 1 1   27    3   18 o   13.850   0.2632   14.170   0.3409   13.530   0.4011 0.6397000 0.5264000 
1 1 1   27    3   19 o   3.5510   0.7671   3.5970   1.0400   3.5040   1.1280 0.9245000E-01 1.534000 
1 1 1   27    3   20 o   7.6730   0.4135   7.9270   0.5324   7.4190   0.6327 0.5078000 0.8269000 
1 1 1   27    3   21 o   2.3040   0.7016   2.0850   0.9340   2.5230   1.0470 -0.4377000 1.403000 
1 1 1   27    3   22 o   5.8940   0.5366   5.7210   0.7475   6.0670   0.7701 -0.3463000 1.073000 
1 1 1   27    3   23 o   1.8550   0.6195   1.6140   0.7846   2.0950   0.9589 -0.4810000 1.239000 
1 1 1   27    3   24 o   2.3860   0.7145   1.9120   0.9074   2.8590   1.1040 -0.9468000 1.429000 
1 1 1   27    3   25 o   3.4010   0.8548   3.4980   1.1550   3.3030   1.2600 0.1946000 1.710000 
1 1 1   27    3   26 o   2.5840   0.6998   3.5970   1.1610   1.5710   0.7816 2.026000 1.400000 
1 1 1   27    3   27 o   2.0710   0.6818   2.0510   0.9581   2.0900   0.9703 -0.3903000E-01 1.364000 
1 1 1   27    3   28 o   2.6030   0.8155   2.3330   1.0810   2.8730   1.2220 -0.5400000 1.631000 
1 1 1   27    3   29 o   1.8940   0.9432   1.8940   0.9432  ?   ?       ?      ? 
1 1 1   27    5    0 o   11.960   0.1591   11.490   0.2191   12.430   0.2306 -0.9389000 0.3181000 
1 1 1   27    5    1 o   2.8230   0.7276   3.5040   1.2230   2.1420   0.7886 1.361000 1.455000 
1 1 1   27    5    2 o   14.000   0.2647   14.280   0.4779   13.730   0.2280 0.5552000 0.5295000 
1 1 1   27    5    3 o   20.020   0.2594   19.760   0.4642   20.280   0.2317 -0.5176000 0.5188000 
1 1 1   27    5    4 o   22.220   0.2163   22.190   0.3069   22.250   0.3049 -0.6396000E-01 0.4326000 
1 1 1   27    5    5 o   14.880   0.1801   15.050   0.2556   14.710   0.2537 0.3353000 0.3601000 
1 1 1   27    5    6 o   12.440   0.2058   12.810   0.2924   12.070   0.2897 0.7378000 0.4116000 
1 1 1   27    5    7 f   21.270   0.1889   21.400   0.2718   21.140   0.2625 0.2620000 0.3778000 
1 1 1   27    5    8 o   19.870   0.1915   19.980   0.2726   19.760   0.2689 0.2163000 0.3830000 
1 1 1   27    5    9 o   3.7450   0.6815   3.8150   0.9456   3.6750   0.9816 0.1399000 1.363000 
1 1 1   27    5   10 o   13.410   0.2370   13.260   0.3357   13.570   0.3347 -0.3111000 0.4740000 
1 1 1   27    5   11 o   22.080   0.2957  ?   ?    22.080   0.2957      ?      ? 
1 1 1   27    5   12 o   6.1860   0.6541   6.0300   0.9637   6.3410   0.8845 -0.3111000 1.308000 
1 1 1   27    5   13 o   8.1700   0.3996   8.2750   0.5630   8.0660   0.5673 0.2099000 0.7992000 
1 1 1   27    5   14 o   24.240   0.2532   24.150   0.3215   24.330   0.3913 -0.1793000 0.5064000 
1 1 1   27    5   15 o   2.5680   0.7516   2.5870   1.0710   2.5490   1.0550 0.3754000E-01 1.503000 
1 1 1   27    5   16 o   4.0950   0.7924   3.3900   1.1320   4.7990   1.1090 -1.410000 1.585000 
1 1 1   27    5   17 o   3.6300   0.7920   4.4690   1.0770   2.7910   1.1620 1.678000 1.584000 
1 1 1   27    5   18 o   6.6960   0.4665   6.9260   0.6024   6.4660   0.7124 0.4600000 0.9330000 
1 1 1   27    5   19 o   3.9620   0.7232   4.6380   0.8940   3.2860   1.1370 1.352000 1.446000 
1 1 1   27    5   20 o   2.7750   0.7393   2.1730   0.9532   3.3760   1.1300 -1.203000 1.479000 
1 1 1   27    5   21 o   7.1020   0.4472   7.6380   0.5591   6.5670   0.6981 1.071000 0.8944000 
1 1 1   27    5   22 o   4.9770   0.6344   5.3930   0.7901   4.5610   0.9928 0.8319000 1.269000 
1 1 1   27    5   23 o   2.5890   0.7375   2.7460   1.0480   2.4320   1.0380 0.3144000 1.475000 
1 1 1   27    5   24 o   2.8470   0.8104   2.2100   1.0260   3.4830   1.2540 -1.273000 1.621000 
1 1 1   27    5   25 o   2.4180   0.6954   1.6470   0.8012   3.1900   1.1370 -1.542000 1.391000 
1 1 1   27    5   26 o   2.9920   0.7911   2.5910   1.0690   3.3930   1.1670 -0.8017000 1.582000 
1 1 1   27    5   27 o   2.7320   0.7759   2.4160   1.0250   3.0490   1.1650 -0.6326000 1.552000 
1 1 1   27    5   28 o   2.2240   0.7620   2.3370   1.1060   2.1110   1.0480 0.2256000 1.524000 
1 1 1   27    7    0 o   48.110   0.2700   48.140   0.4076   48.080   0.3542 0.6224000E-01 0.5399000 
1 1 1   27    7    1 o   73.630   0.4296   74.120   0.6118   73.140   0.6032 0.9843000 0.8592000 
1 1 1   27    7    2 o   6.8470   0.2858   7.2490   0.3959   6.4440   0.4123 0.8051000 0.5716000 
1 1 1   27    7    3 o   25.050   0.3014   25.210   0.5066   24.890   0.3268 0.3256000 0.6029000 
1 1 1   27    7    4 o   7.9030   0.5384   7.4140   0.9541   8.3930   0.4990 -0.9789000 1.077000 
1 1 1   27    7    5 o   17.420   0.3069   17.220   0.5574   17.620   0.2572 -0.3995000 0.6138000 
1 1 1   27    7    6 o   21.500   0.1902   21.310   0.2713   21.690   0.2668 -0.3755000 0.3805000 
1 1 1   27    7    7 o   9.6250   0.2744   9.8890   0.3909   9.3610   0.3852 0.5284000 0.5488000 
1 1 1   27    7    8 f   6.0710   0.4499   6.6980   0.5742   5.4450   0.6928 1.253000 0.8999000 
1 1 1   27    7    9 o   3.7190   0.7179   3.5870   1.0560   3.8510   0.9725 -0.2646000 1.436000 
1 1 1   27    7   10 o   4.0630   0.7467   4.6720   1.0520   3.4550   1.0600 1.217000 1.493000 
1 1 1   27    7   11 o   6.9420   0.4587   6.5850   0.7002   7.3000   0.5926 -0.7152000 0.9173000 
1 1 1   27    7   12 o   5.8720   0.7203   5.0990   1.1580   6.6440   0.8565 -1.546000 1.441000 
1 1 1   27    7   13 o   7.5920   0.4294   7.3430   0.6346   7.8420   0.5785 -0.4992000 0.8587000 
1 1 1   27    7   14 o   6.5260   0.5106   7.3300   0.6368   5.7230   0.7983 1.607000 1.021000 
1 1 1   27    7   15 o   6.6100   0.5437   7.0620   0.6572   6.1590   0.8662 0.9033000 1.087000 
1 1 1   27    7   16 o   4.2980   0.8706   3.6430   1.3060   4.9540   1.1520 -1.310000 1.741000 
1 1 1   27    7   17 o   11.710   0.3465   11.960   0.4507   11.470   0.5265 0.4918000 0.6930000 
1 1 1   27    7   18 o   3.0540   0.7752   3.6680   1.1470   2.4400   1.0430 1.228000 1.550000 
1 1 1   27    7   19 o   4.5230   0.7208   5.5630   0.8948   3.4830   1.1300 2.080000 1.442000 
1 1 1   27    7   20 o   2.8820   0.7819   3.1790   1.1450   2.5850   1.0650 0.5933000 1.564000 
1 1 1   27    7   21 o   2.1680   0.6820   2.1470   0.9511   2.1900   0.9778 -0.4357000E-01 1.364000 
1 1 1   27    7   22 o   2.7190   0.7729   3.0030   1.1400   2.4350   1.0440 0.5679000 1.546000 
1 1 1   27    7   23 o   6.3240   0.5476   5.8870   0.8504   6.7600   0.6902 -0.8726000 1.095000 
1 1 1   27    7   24 o   3.0330   0.8412   2.9230   1.1320   3.1430   1.2440 -0.2199000 1.682000 
1 1 1   27    7   25 o   2.0770   0.6726   1.8010   0.8575   2.3530   1.0370 -0.5516000 1.345000 
1 1 1   27    7   26 o   2.6260   0.7664   2.6260   1.0720   2.6250   1.0950 0.1125000E-02 1.533000 
1 1 1   27    7   27 o   2.3900   0.7250   2.7280   1.0860   2.0510   0.9604 0.6761000 1.450000 
1 1 1   27    7   28 o   1.9010   0.6629   1.9550   0.9674   1.8480   0.9066 0.1066000 1.326000 
1 1 1   27    9    0 o   28.420   0.2259   28.120   0.3462   28.710   0.2905 -0.5874000 0.4519000 
1 1 1   27    9    1 o   16.550   0.2109   16.650   0.3247   16.440   0.2694 0.2110000 0.4219000 
1 1 1   27    9    2 o   9.5200   0.2479   10.110   0.3752   8.9290   0.3242 1.183000 0.4959000 
1 1 1   27    9    3 o   19.960   0.1848   20.340   0.2634   19.580   0.2594 0.7587000 0.3697000 
1 1 1   27    9    4 o   17.610   0.1907   17.780   0.2737   17.450   0.2657 0.3289000 0.3815000 
1 1 1   27    9    5 o   37.300   0.2767   36.930   0.4306   37.660   0.3476 -0.7244000 0.5534000 
1 1 1   27    9    6 o   15.970   0.3565   14.880   0.6503   17.060   0.2923 -2.177000 0.7130000 
1 1 1   27    9    7 o   21.480   0.3223   21.740   0.5770   21.230   0.2873 0.5038000 0.6446000 
1 1 1   27    9    8 o   9.0700   0.4605  ?   ?    9.0700   0.4605      ?      ? 
1 1 1   27    9    9 o   20.270   0.2366   20.220   0.3639   20.310   0.3025 -0.8496000E-01 0.4732000 
1 1 1   27    9   10 o   11.170   0.2965   11.410   0.4260   10.940   0.4124 0.4744000 0.5929000 
1 1 1   27    9   11 o   4.5700   0.8110   5.7000   1.0360   3.4400   1.2480 2.260000 1.622000 
1 1 1   27    9   12 o   15.970   0.2536   16.020   0.3668   15.920   0.3503 0.9285000E-01 0.5072000 
1 1 1   27    9   13 o   11.320   0.3182   11.570   0.4541   11.070   0.4458 0.4950000 0.6364000 
1 1 1   27    9   14 o   9.3620   0.3965   9.7810   0.5183   8.9430   0.6001 0.8374000 0.7929000 
1 1 1   27    9   15 o   10.270   0.3489   9.8590   0.5263   10.680   0.4581 -0.8212000 0.6977000 
1 1 1   27    9   16 o   5.1170   0.8389   5.3350   1.2140   4.8990   1.1580 0.4360000 1.678000 
1 1 1   27    9   17 o   2.0220   0.6619   2.2380   1.0030   1.8060   0.8644 0.4323000 1.324000 
1 1 1   27    9   18 o   2.2800   0.7068   2.0140   0.9350   2.5460   1.0600 -0.5322000 1.414000 
1 1 1   27    9   19 o   6.9660   0.4918   7.0920   0.6931   6.8390   0.6980 0.2529000 0.9837000 
1 1 1   27    9   20 o   3.0920   0.7918   2.8640   1.1210   3.3210   1.1190 -0.4570000 1.584000 
1 1 1   27    9   21 o   2.0950   0.6772   2.2870   1.0140   1.9030   0.8976 0.3838000 1.354000 
1 1 1   27    9   22 o   2.6910   0.7433   2.0750   0.9681   3.3060   1.1280 -1.231000 1.487000 
1 1 1   27    9   23 f   3.0800   0.9149   3.1070   1.3480   3.0530   1.2370 0.5353000E-01 1.830000 
1 1 1   27    9   24 o   2.3880   0.7379   2.2640   1.0170   2.5120   1.0690 -0.2477000 1.476000 
1 1 1   27    9   25 o   2.5410   0.7505   2.3370   1.0100   2.7440   1.1100 -0.4072000 1.501000 
1 1 1   27    9   26 o   1.9930   0.6581   1.9740   0.9167   2.0120   0.9444 -0.3871000E-01 1.316000 
1 1 1   27    9   27 o   2.0350   0.6872   2.0450   0.9668   2.0240   0.9769 0.2070000E-01 1.374000 
1 1 1   27   11    0 o   21.040   0.2055   20.340   0.3343   21.740   0.2389 -1.402000 0.4109000 
1 1 1   27   11    1 o   32.770   0.2102   32.350   0.3143   33.190   0.2793 -0.8391000 0.4205000 
1 1 1   27   11    2 o   24.670   0.1878   24.580   0.2804   24.760   0.2499 -0.1836000 0.3757000 
1 1 1   27   11    3 o   32.440   0.2260   32.370   0.3189   32.510   0.3203 -0.1493000 0.4520000 
1 1 1   27   11    4 o   15.900   0.2124   15.450   0.3040   16.360   0.2968 -0.9087000 0.4249000 
1 1 1   27   11    5 o   6.0260   0.4802   5.6250   0.7349   6.4270   0.6184 -0.8025000 0.9604000 
1 1 1   27   11    6 o   18.460   0.2349   18.340   0.3584   18.570   0.3037 -0.2264000 0.4698000 
1 1 1   27   11    7 o   13.080   0.2656   13.200   0.3787   12.950   0.3724 0.2508000 0.5311000 
1 1 1   27   11    8 o   5.2600   0.8903   4.2390   1.6320   6.2810   0.7127 -2.041000 1.781000 
1 1 1   27   11    9 o   5.6420   0.9769   5.3880   1.6700   5.8960   1.0140 -0.5074000 1.954000 
1 1 1   27   11   10 o   13.500   0.5079   12.770   0.8913   14.220   0.4872 -1.449000 1.016000 
1 1 1   27   11   11 o   19.350   0.2771   18.790   0.4495   19.920   0.3241 -1.129000 0.5542000 
1 1 1   27   11   12 o   9.8720   0.3557   9.4200   0.5222   10.320   0.4833 -0.9040000 0.7115000 
1 1 1   27   11   13 o   7.5590   0.4748   7.3660   0.6558   7.7520   0.6867 -0.3852000 0.9496000 
1 1 1   27   11   14 o   3.3310   0.7916   3.0530   1.1360   3.6090   1.1030 -0.5569000 1.583000 
1 1 1   27   11   15 o   9.0720   0.4835   9.3050   0.7010   8.8380   0.6662 0.4667000 0.9671000 
1 1 1   27   11   16 o   4.2280   0.7157   3.0270   1.1490   5.4290   0.8534 -2.403000 1.431000 
1 1 1   27   11   17 o   2.5430   0.7510   2.3330   1.0320   2.7540   1.0910 -0.4209000 1.502000 
1 1 1   27   11   18 o   5.8560   0.6051   5.5770   0.9313   6.1350   0.7728 -0.5577000 1.210000 
1 1 1   27   11   19 o   5.3580   0.6577   4.9900   1.0350   5.7270   0.8119 -0.7366000 1.315000 
1 1 1   27   11   20 o   2.5550   0.7432   3.1840   1.1820   1.9250   0.9020 1.260000 1.486000 
1 1 1   27   11   21 o   2.2310   0.6958   1.8590   0.8987   2.6020   1.0620 -0.7433000 1.392000 
1 1 1   27   11   22 o   2.0170   0.6794   2.4340   1.1070   1.6000   0.7878 0.8339000 1.359000 
1 1 1   27   11   23 o   3.1190   0.9046   3.2850   1.3190   2.9540   1.2380 0.3307000 1.809000 
1 1 1   27   11   24 o   5.0290   0.7376   5.6750   0.9643   4.3840   1.1160 1.291000 1.475000 
1 1 1   27   11   25 o   3.1620   0.8276   3.1400   1.1810   3.1840   1.1600 -0.4418000E-01 1.655000 
1 1 1   27   11   26 o   4.1570   0.8920   4.2820   1.1970   4.0330   1.3230 0.2490000 1.784000 
1 1 1   27   13    0 o   11.120   0.2515   11.350   0.3743   10.900   0.3362 0.4424000 0.5031000 
1 1 1   27   13    1 o   22.160   0.2223   22.060   0.3380   22.260   0.2889 -0.2042000 0.4447000 
1 1 1   27   13    2 f   19.150   0.2285   19.310   0.3461   18.990   0.2985 0.3151000 0.4570000 
1 1 1   27   13    3 o   6.4930   0.5029   5.4850   0.8481   7.5000   0.5407 -2.016000 1.006000 
1 1 1   27   13    4 o   21.770   0.2052   21.540   0.3083   22.010   0.2708 -0.4682000 0.4103000 
1 1 1   27   13    5 o   29.690   0.2308   29.620   0.3263   29.760   0.3264 -0.1401000 0.4616000 
1 1 1   27   13    6 o   17.590   0.2311   17.400   0.3303   17.770   0.3234 -0.3688000 0.4622000 
1 1 1   27   13    7 o   15.370   0.3219   15.280   0.4557   15.450   0.4548 -0.1714000 0.6438000 
1 1 1   27   13    8 o   6.8110   0.6495   7.3090   0.8072   6.3130   1.0180 0.9963000 1.299000 
1 1 1   27   13    9 o   13.510   0.2769   13.620   0.3948   13.400   0.3885 0.2233000 0.5538000 
1 1 1   27   13   10 o   8.9150   0.4082   8.5720   0.5785   9.2580   0.5761 -0.6862000 0.8164000 
1 1 1   27   13   11 o   7.2220   0.8391   7.1240   1.5140   7.3200   0.7248 -0.1958000 1.678000 
1 1 1   27   13   12 o   2.5860   0.8503   2.9360   1.3740   2.2360   1.0030 0.6999000 1.701000 
1 1 1   27   13   13 f   14.100   0.8377   14.100   0.8377  ?   ?       ?      ? 
1 1 1   27   13   14 o   4.7770   1.0290   4.9880   1.6780   4.5660   1.1910 0.4220000 2.058000 
1 1 1   27   13   15 o   4.4710   0.7329   5.0320   0.9901   3.9100   1.0810 1.121000 1.466000 
1 1 1   27   13   16 o   7.4750   0.4586   7.9530   0.6331   6.9980   0.6637 0.9547000 0.9172000 
1 1 1   27   13   17 o   1.9830   0.6551   2.1390   0.9794   1.8270   0.8704 0.3125000 1.310000 
1 1 1   27   13   18 o   8.4210   0.4172   8.5080   0.6002   8.3330   0.5797 0.1752000 0.8345000 
1 1 1   27   13   19 o   3.1590   0.8020   3.2260   1.1540   3.0910   1.1150 0.1344000 1.604000 
1 1 1   27   13   20 o   2.9240   0.7724   2.3840   1.0770   3.4650   1.1080 -1.081000 1.545000 
1 1 1   27   13   21 o   2.2290   0.7127   2.4050   1.0680   2.0520   0.9434 0.3538000 1.425000 
1 1 1   27   13   22 o   2.6840   0.8397   2.6430   1.1800   2.7250   1.1950 -0.8206000E-01 1.679000 
1 1 1   27   13   23 o   2.8180   0.7955   3.2980   1.2110   2.3380   1.0320 0.9601000 1.591000 
1 1 1   27   13   24 o   3.3470   0.7835   2.4780   1.0910   4.2150   1.1250 -1.737000 1.567000 
1 1 1   27   13   25 o   3.1090   0.8552   2.6320   1.1230   3.5850   1.2900 -0.9534000 1.710000 
1 1 1   27   15    0 o   20.780   0.2036   20.780   0.3061   20.780   0.2685 0.7387000E-02 0.4072000 
1 1 1   27   15    1 f   2.7850   0.7278   3.0860   1.0730   2.4840   0.9835 0.6019000 1.456000 
1 1 1   27   15    2 o   30.510   0.2181   30.260   0.3273   30.750   0.2885 -0.4932000 0.4363000 
1 1 1   27   15    3 o   20.600   0.2110   20.100   0.3197   21.090   0.2754 -0.9885000 0.4220000 
1 1 1   27   15    4 o   11.040   0.2852   11.810   0.4083   10.280   0.3982 1.525000 0.5703000 
1 1 1   27   15    5 o   8.9120   0.4384   9.4430   0.6315   8.3810   0.6082 1.062000 0.8768000 
1 1 1   27   15    6 o   7.8450   0.4590   8.0860   0.7265   7.6040   0.5612 0.4818000 0.9180000 
1 1 1   27   15    7 o   12.660   0.3144   12.570   0.4102   12.740   0.4765 -0.1711000 0.6288000 
1 1 1   27   15    8 o   5.8630   0.6015   5.2400   0.9043   6.4850   0.7934 -1.245000 1.203000 
1 1 1   27   15    9 o   3.4860   0.8066   3.3270   1.1280   3.6450   1.1530 -0.3188000 1.613000 
1 1 1   27   15   10 o   7.6870   0.4521   8.1350   0.5908   7.2380   0.6845 0.8970000 0.9042000 
1 1 1   27   15   11 o   5.7600   0.6194   5.3580   0.9409   6.1630   0.8057 -0.8052000 1.239000 
1 1 1   27   15   12 o   8.3820   0.5143   8.5590   0.7583   8.2060   0.6949 0.3530000 1.029000 
1 1 1   27   15   13 f   9.7020   0.3639   10.040   0.5227   9.3620   0.5064 0.6782000 0.7278000 
1 1 1   27   15   14 o   8.4110   0.7177   8.0750   1.3300   8.7460   0.5386 -0.6707000 1.435000 
1 1 1   27   15   15 o   3.8700   0.8623   3.1360   1.4240   4.6040   0.9721 -1.468000 1.725000 
1 1 1   27   15   16 o   5.9680   0.9027   4.5820   1.6860   7.3540   0.6442 -2.773000 1.805000 
1 1 1   27   15   17 o   6.9300   0.7923   7.5810   1.3950   6.2790   0.7515 1.302000 1.585000 
1 1 1   27   15   18 o   2.1860   0.7014   2.3460   1.0440   2.0250   0.9364 0.3201000 1.403000 
1 1 1   27   15   19 o   7.0970   0.5421   7.9250   0.7611   6.2690   0.7723 1.656000 1.084000 
1 1 1   27   15   20 o   5.6000   0.6567   5.3590   0.9977   5.8410   0.8543 -0.4816000 1.313000 
1 1 1   27   15   21 o   2.5760   0.8153   2.4090   1.1060   2.7420   1.1980 -0.3327000 1.631000 
1 1 1   27   15   22 o   3.0600   0.8163   3.2510   1.1910   2.8700   1.1160 0.3809000 1.633000 
1 1 1   27   15   23 o   2.4430   0.7544   2.3710   1.0600   2.5160   1.0740 -0.1453000 1.509000 
1 1 1   27   15   24 o   2.7200   0.7071   3.9960   1.2090   1.4440   0.7338 2.552000 1.414000 
1 1 1   27   17    0 o   5.5870   0.6601   6.0800   0.9196   5.0940   0.9473 0.9859000 1.320000 
1 1 1   27   17    1 o   6.8270   0.5489   7.2430   0.7811   6.4110   0.7713 0.8316000 1.098000 
1 1 1   27   17    2 f   13.190   0.3171   12.800   0.4817   13.580   0.4124 -0.7766000 0.6341000 
1 1 1   27   17    3 o   8.5750   0.3804   8.9960   0.5099   8.1540   0.5646 0.8425000 0.7608000 
1 1 1   27   17    4 o   4.9820   0.6516   4.6000   0.9875   5.3650   0.8504 -0.7648000 1.303000 
1 1 1   27   17    5 o   6.9440   0.4710   7.3270   0.6290   6.5610   0.7011 0.7655000 0.9419000 
1 1 1   27   17    6 o   8.7680   0.3675   8.2880   0.5725   9.2480   0.4609 -0.9596000 0.7350000 
1 1 1   27   17    7 o   7.8840   0.4087   7.5520   0.6214   8.2150   0.5309 -0.6634000 0.8173000 
1 1 1   27   17    8 o   9.2850   0.3857   9.5780   0.5246   8.9910   0.5656 0.5867000 0.7714000 
1 1 1   27   17    9 o   13.060   0.3693   12.730   0.5469   13.390   0.4963 -0.6540000 0.7386000 
1 1 1   27   17   10 f   10.660   0.5845  ?   ?    10.660   0.5845      ?      ? 
1 1 1   27   17   11 o   8.9940   0.3957   9.2640   0.5399   8.7240   0.5786 0.5403000 0.7914000 
1 1 1   27   17   12 o   4.8270   0.7035   5.0020   0.9475   4.6530   1.0400 0.3490000 1.407000 
1 1 1   27   17   13 o   3.5240   0.7936   3.1000   1.1420   3.9470   1.1020 -0.8471000 1.587000 
1 1 1   27   17   14 o   5.1940   0.6596   5.2570   0.9560   5.1320   0.9091 0.1249000 1.319000 
1 1 1   27   17   15 o   4.1170   0.7791   3.9460   1.1560   4.2890   1.0450 -0.3429000 1.558000 
1 1 1   27   17   16 o   8.1710   0.4322   8.0730   0.6434   8.2680   0.5773 -0.1946000 0.8645000 
1 1 1   27   17   17 o   2.2240   0.7162   2.1250   1.0100   2.3230   1.0160 -0.1979000 1.432000 
1 1 1   27   17   18 o   8.5230   0.7456   8.9090   1.3610   8.1380   0.6096 0.7711000 1.491000 
1 1 1   27   17   19 o   2.7970   0.9211   3.4690   1.5370   2.1260   1.0160 1.344000 1.842000 
1 1 1   27   17   20 o   2.7980   0.9136   3.9180   1.6220   1.6780   0.8423 2.241000 1.827000 
1 1 1   27   17   21 o   2.4770   0.8111   2.5430   1.2420   2.4110   1.0430 0.1317000 1.622000 
1 1 1   27   17   22 o   3.1220   0.8370   3.6130   1.2210   2.6320   1.1450 0.9808000 1.674000 
1 1 1   27   17   23 o   2.8130   0.7706   3.6880   1.2360   1.9380   0.9211 1.750000 1.541000 
1 1 1   27   19    0 o   10.570   0.3147   10.870   0.4679   10.280   0.4210 0.5944000 0.6294000 
1 1 1   27   19    1 o   3.8830   0.7145   4.5380   0.9770   3.2290   1.0430 1.308000 1.429000 
1 1 1   27   19    2 o   2.0590   0.6533   2.3700   1.0120   1.7490   0.8259 0.6217000 1.307000 
1 1 1   27   19    3 o   14.230   0.2503   13.760   0.3767   14.700   0.3298 -0.9345000 0.5007000 
1 1 1   27   19    4 o   6.8130   0.4440   7.0040   0.6410   6.6210   0.6146 0.3833000 0.8880000 
1 1 1   27   19    5 f   7.2920   0.4309   7.3980   0.6308   7.1860   0.5873 0.2126000 0.8619000 
1 1 1   27   19    6 o   9.5790   0.4219   9.8410   0.6520   9.3170   0.5354 0.5243000 0.8437000 
1 1 1   27   19    7 o   3.8000   0.8462   4.6590   1.2580   2.9400   1.1320 1.719000 1.692000 
1 1 1   27   19    8 o   5.1300   0.6229   4.9640   0.9536   5.2960   0.8017 -0.3328000 1.246000 
1 1 1   27   19    9 o   8.1910   0.4101   7.7210   0.6401   8.6610   0.5130 -0.9397000 0.8203000 
1 1 1   27   19   10 o   5.7730   0.6016   6.1970   0.7867   5.3500   0.9103 0.8472000 1.203000 
1 1 1   27   19   11 o   4.5110   0.7516   4.7490   1.0150   4.2740   1.1090 0.4746000 1.503000 
1 1 1   27   19   12 o   5.6570   0.6326   5.6540   0.8937   5.6600   0.8955 -0.5854000E-02 1.265000 
1 1 1   27   19   13 o   5.9630   0.6046   5.4680   0.9228   6.4570   0.7813 -0.9890000 1.209000 
1 1 1   27   19   14 o   5.7600   0.6840   4.8640   1.1640   6.6560   0.7188 -1.792000 1.368000 
1 1 1   27   19   15 o   10.450   0.3890   10.500   0.5995   10.400   0.4959 0.9702000E-01 0.7780000 
1 1 1   27   19   16 o   3.7760   0.8127   3.4440   1.1900   4.1080   1.1070 -0.6640000 1.625000 
1 1 1   27   19   17 o   2.3920   0.7701   2.2070   1.0230   2.5770   1.1520 -0.3701000 1.540000 
1 1 1   27   19   18 o   2.2780   0.7505   2.6430   1.1720   1.9130   0.9372 0.7302000 1.501000 
1 1 1   27   19   19 o   2.1970   0.7104   2.3530   1.0550   2.0410   0.9523 0.3125000 1.421000 
1 1 1   27   19   20 o   2.1150   0.6995   2.2980   1.0440   1.9330   0.9309 0.3642000 1.399000 
1 1 1   27   19   21 o   2.2200   0.7240   2.4660   1.0920   1.9730   0.9512 0.4931000 1.448000 
1 1 1   27   21    0 o   6.9380   0.4615   6.5270   0.7289   7.3480   0.5661 -0.8210000 0.9229000 
1 1 1   27   21    1 o   11.170   0.3818   10.750   0.6062   11.590   0.4641 -0.8384000 0.7635000 
1 1 1   27   21    2 o   8.4720   0.4593   9.2330   0.6637   7.7120   0.6351 1.521000 0.9186000 
1 1 1   27   21    3 o   5.6910   0.6733   5.9610   0.9953   5.4200   0.9070 0.5408000 1.347000 
1 1 1   27   21    4 o   9.5020   0.3438   9.2260   0.5266   9.7770   0.4421 -0.5514000 0.6876000 
1 1 1   27   21    5 o   2.3310   0.7064   2.2650   0.9998   2.3980   0.9982 -0.1321000 1.413000 
1 1 1   27   21    6 o   5.3430   0.6118   4.7190   1.0140   5.9680   0.6852 -1.249000 1.224000 
1 1 1   27   21    7 o   2.6550   0.7491   2.8700   1.1160   2.4390   0.9998 0.4311000 1.498000 
1 1 1   27   21    8 o   2.4480   0.7277   2.6960   1.0940   2.2000   0.9600 0.4958000 1.455000 
1 1 1   27   21    9 o   6.7740   0.4936   6.1940   0.7962   7.3550   0.5836 -1.161000 0.9872000 
1 1 1   27   21   10 o   2.4440   0.7276   2.6700   1.0870   2.2190   0.9672 0.4509000 1.455000 
1 1 1   27   21   11 o   2.2790   0.7295   2.5350   1.1140   2.0220   0.9421 0.5126000 1.459000 
1 1 1   27   21   12 o   4.7540   0.7917   4.3220   1.2320   5.1870   0.9952 -0.8650000 1.583000 
1 1 1   27   21   13 o   2.3230   0.7337   2.2680   1.0260   2.3780   1.0490 -0.1094000 1.467000 
1 1 1   27   21   14 o   6.3090   0.6028   6.2200   0.8489   6.3980   0.8562 -0.1780000 1.206000 
1 1 1   27   21   15 o   2.2780   0.7607   2.0690   0.9974   2.4870   1.1490 -0.4185000 1.521000 
1 1 1   27   21   16 o   2.0590   0.7040   2.1670   1.0360   1.9500   0.9538 0.2167000 1.408000 
1 1 1   27   21   17 o   2.5550   0.7721   2.5360   1.0940   2.5740   1.0900 -0.3810000E-01 1.544000 
1 1 1   27   21   18 o   3.8080   0.8804   3.8200   1.2220   3.7970   1.2670 0.2353000E-01 1.761000 
1 1 1   27   21   19 o   2.2420   0.7256   2.4420   1.0780   2.0410   0.9711 0.4009000 1.451000 
1 1 1   27   23    0 o   4.6670   0.6425   4.4780   0.9490   4.8570   0.8663 -0.3789000 1.285000 
1 1 1   27   23    1 o   4.4230   0.7261   4.8630   1.0460   3.9840   1.0080 0.8791000 1.452000 
1 1 1   27   23    2 o   3.1500   0.7435   3.9020   1.0990   2.3990   1.0020 1.503000 1.487000 
1 1 1   27   23    3 o   4.5500   0.6681   5.8520   0.8154   3.2480   1.0590 2.604000 1.336000 
1 1 1   27   23    4 o   5.0250   0.6272   5.7130   0.8255   4.3370   0.9444 1.376000 1.254000 
1 1 1   27   23    5 o   2.2060   0.6899   2.3900   1.0320   2.0230   0.9162 0.3672000 1.380000 
1 1 1   27   23    6 o   2.1030   0.6739   2.3170   1.0240   1.8890   0.8768 0.4271000 1.348000 
1 1 1   27   23    7 o   3.6850   0.8394   3.9440   1.2390   3.4250   1.1330 0.5187000 1.679000 
1 1 1   27   23    8 o   2.8780   0.7885   2.5000   1.0990   3.2570   1.1300 -0.7571000 1.577000 
1 1 1   27   23    9 f   8.0380   0.4170   8.0000   0.6306   8.0770   0.5458 -0.7709000E-01 0.8340000 
1 1 1   27   23   10 o   4.8860   0.6830   4.9340   1.0220   4.8390   0.9062 0.9480000E-01 1.366000 
1 1 1   27   23   11 o   4.3680   0.7344   3.8240   1.1540   4.9120   0.9089 -1.088000 1.469000 
1 1 1   27   23   12 o   2.5460   0.7396   3.0800   1.1580   2.0110   0.9204 1.069000 1.479000 
1 1 1   27   23   13 o   2.9440   0.8560   2.7790   1.2130   3.1100   1.2090 -0.3309000 1.712000 
1 1 1   27   23   14 o   1.7800   0.6150   1.8070   0.8786   1.7540   0.8609 0.5263000E-01 1.230000 
1 1 1   27   23   15 o   2.7620   0.8291   2.4930   1.0890   3.0320   1.2510 -0.5392000 1.658000 
1 1 1   27   23   16 o   1.8080   0.6290   1.7320   0.8535   1.8840   0.9242 -0.1514000 1.258000 
1 1 1   27   23   17 o   2.5110   0.8177   2.4990   1.1610   2.5220   1.1520 -0.2249000E-01 1.635000 
1 1 1   27   25    0 o   2.0890   0.6788   2.0910   0.9606   2.0870   0.9592 0.3631000E-02 1.358000 
1 1 1   27   25    1 o   2.3840   0.7523   2.4350   1.0980   2.3330   1.0290 0.1018000 1.505000 
1 1 1   27   25    2 o   7.7810   0.5035   7.0960   0.8175   8.4670   0.5880 -1.371000 1.007000 
1 1 1   27   25    3 o   2.0510   0.6644   2.1610   0.9792   1.9410   0.8983 0.2203000 1.329000 
1 1 1   27   25    4 o   4.2930   0.7242   4.7830   1.0040   3.8040   1.0440 0.9788000 1.448000 
1 1 1   27   25    5 o   3.1900   0.7657   2.7530   1.1050   3.6270   1.0600 -0.8740000 1.531000 
1 1 1   27   25    6 o   2.9160   0.7838   3.0350   1.1430   2.7960   1.0730 0.2388000 1.568000 
1 1 1   27   25    7 o   3.0610   0.7004   2.0380   0.9468   4.0840   1.0320 -2.046000 1.401000 
1 1 1   27   25    8 o   3.4940   0.7697   2.8490   1.1330   4.1390   1.0430 -1.290000 1.539000 
1 1 1   27   25    9 o   2.3880   0.7487   2.2790   1.0240   2.4970   1.0920 -0.2178000 1.497000 
1 1 1   27   25   10 o   2.8140   0.8358   3.2070   1.2780   2.4220   1.0780 0.7847000 1.672000 
1 1 1   27   25   11 o   2.6250   0.7573   3.1630   1.1800   2.0870   0.9488 1.076000 1.515000 
1 1 1   27   25   12 o   3.2270   0.8280   3.4930   1.1960   2.9610   1.1450 0.5312000 1.656000 
1 1 1   27   25   13 o   2.4640   0.7553   2.4380   1.0710   2.4910   1.0650 -0.5310000E-01 1.511000 
1 1 1   27   25   14 o   1.7990   0.6340   1.8620   0.9235   1.7370   0.8689 0.1251000 1.268000 
1 1 1   27   27    0 o   3.6630   0.8877   3.1250   1.1620   4.2000   1.3420 -1.075000 1.775000 
1 1 1   27   27    1 o   2.4350   0.7749   2.4150   1.0630   2.4540   1.1280 -0.3899000E-01 1.550000 
1 1 1   27   27    2 o   5.3250   0.6743   3.9700   1.1740   6.6800   0.6631 -2.710000 1.349000 
1 1 1   27   27    3 o   5.6140   0.6149   4.9970   1.0080   6.2300   0.7043 -1.232000 1.230000 
1 1 1   27   27    4 o   2.5570   0.7554   3.0600   1.1640   2.0540   0.9631 1.006000 1.511000 
1 1 1   27   27    5 o   1.9520   0.6686   2.1430   1.0210   1.7610   0.8634 0.3819000 1.337000 
1 1 1   27   27    6 o   4.3820   0.8349   3.3740   1.3010   5.3900   1.0470 -2.015000 1.670000 
1 1 1   27   27    7 o   3.1460   0.8300   2.8990   1.1510   3.3930   1.1960 -0.4933000 1.660000 
1 1 1   27   27    8 o   3.2380   0.8087   3.8730   1.1840   2.6030   1.1010 1.270000 1.617000 
1 1 1   27   27    9 o   3.6550   0.8126   3.4800   1.1950   3.8300   1.1010 -0.3500000 1.625000 
1 1 1   27   29    0 f   2.2850   0.7157   1.8190   0.8827   2.7510   1.1270 -0.9322000 1.431000 
1 1 1   27   29    1 o   2.3370   0.7371   2.4570   1.0880   2.2170   0.9942 0.2403000 1.474000 
1 1 1   28    0    0 o   19.090   0.3597   19.090   0.3597   19.090   0.3597 0.000000 0.000000 
1 1 1   28    0    1 o   13.400   0.2535   13.400   0.2535   13.400   0.2535 0.000000 0.000000 
1 1 1   28    0    2 o   25.610   0.2439   25.610   0.2439   25.610   0.2439 0.000000 0.000000 
1 1 1   28    0    3 f   32.070   0.2880   32.070   0.2880   32.070   0.2880 0.000000 0.000000 
1 1 1   28    0    4 o   2.7420   1.3870   2.7420   1.3870   2.7420   1.3870 0.000000 0.000000 
1 1 1   28    0    5 o   23.360   0.2498   23.360   0.2498   23.360   0.2498 0.000000 0.000000 
1 1 1   28    0    6 o   43.270   0.3757   43.270   0.3757   43.270   0.3757 0.000000 0.000000 
1 1 1   28    0    7 o   11.360   0.3130   11.360   0.3130   11.360   0.3130 0.000000 0.000000 
1 1 1   28    0    8 o   2.1250   1.1370   2.1250   1.1370   2.1250   1.1370 0.000000 0.000000 
1 1 1   28    0    9 o   36.190   0.3367   36.190   0.3367   36.190   0.3367 0.000000 0.000000 
1 1 1   28    0   10 o   11.590   0.3722   11.590   0.3722   11.590   0.3722 0.000000 0.000000 
1 1 1   28    0   11 o   8.3730   0.4967   8.3730   0.4967   8.3730   0.4967 0.000000 0.000000 
1 1 1   28    0   12 o   3.1790   1.4590   3.1790   1.4590   3.1790   1.4590 0.000000 0.000000 
1 1 1   28    0   13 o   10.540   0.5298   10.540   0.5298   10.540   0.5298 0.000000 0.000000 
1 1 1   28    0   14 o   3.9360   1.2770   3.9360   1.2770   3.9360   1.2770 0.000000 0.000000 
1 1 1   28    0   15 o   4.3320   1.1920   4.3320   1.1920   4.3320   1.1920 0.000000 0.000000 
1 1 1   28    0   16 o   8.8560   0.5358   8.8560   0.5358   8.8560   0.5358 0.000000 0.000000 
1 1 1   28    0   17 o   11.610   0.8073   11.610   0.8073   11.610   0.8073 0.000000 0.000000 
1 1 1   28    0   18 o   2.1450   1.2620   2.1450   1.2620   2.1450   1.2620 0.000000 0.000000 
1 1 1   28    0   19 o   2.6320   1.3550   2.6320   1.3550   2.6320   1.3550 0.000000 0.000000 
1 1 1   28    0   20 o   6.5710   0.7434   6.5710   0.7434   6.5710   0.7434 0.000000 0.000000 
1 1 1   28    0   21 o   4.9360   1.0900   4.9360   1.0900   4.9360   1.0900 0.000000 0.000000 
1 1 1   28    0   22 o   2.1020   1.2490   2.1020   1.2490   2.1020   1.2490 0.000000 0.000000 
1 1 1   28    0   23 o   2.3620   1.3120   2.3620   1.3120   2.3620   1.3120 0.000000 0.000000 
1 1 1   28    0   24 f   1.4350   0.9919   1.4350   0.9919   1.4350   0.9919 0.000000 0.000000 
1 1 1   28    0   25 o   4.8550   1.1770   4.8550   1.1770   4.8550   1.1770 0.000000 0.000000 
1 1 1   28    0   26 o   1.1970   0.8573   1.1970   0.8573   1.1970   0.8573 0.000000 0.000000 
1 1 1   28    0   27 o   2.1340   1.2800   2.1340   1.2800   2.1340   1.2800 0.000000 0.000000 
1 1 1   28    0   28 o   1.5710   1.1030   1.5710   1.1030   1.5710   1.1030 0.000000 0.000000 
1 1 1   28    2    0 o   33.380   0.3134   33.620   0.5187   33.150   0.3518 0.4731000 0.6268000 
1 1 1   28    2    1 o   30.000   0.2776   30.400   0.4880   29.600   0.2646 0.7976000 0.5551000 
1 1 1   28    2    2 o   27.670   0.2726   28.190   0.4830   27.150   0.2528 1.035000 0.5452000 
1 1 1   28    2    3 o   35.620   0.2715   35.070   0.3826   36.180   0.3852 -1.110000 0.5429000 
1 1 1   28    2    4 o   28.480   0.3383   28.650   0.4915   28.310   0.4649 0.3407000 0.6766000 
1 1 1   28    2    5 o   40.480   0.3802   40.530   0.6247   40.440   0.4335 0.8210000E-01 0.7604000 
1 1 1   28    2    6 o   16.900   0.1763   17.170   0.2505   16.620   0.2480 0.5520000 0.3525000 
1 1 1   28    2    7 o   13.390   0.2017   13.340   0.2862   13.440   0.2843 -0.9595000E-01 0.4034000 
1 1 1   28    2    8 o   20.340   0.1901   20.500   0.2699   20.170   0.2678 0.3340000 0.3802000 
1 1 1   28    2    9 o   18.980   0.1924   19.060   0.2697   18.900   0.2746 0.1604000 0.3849000 
1 1 1   28    2   10 o   25.930   0.1940   25.750   0.2532   26.110   0.2939 -0.3564000 0.3880000 
1 1 1   28    2   11 o   15.860   0.2095   15.890   0.2721   15.820   0.3187 0.7161000E-01 0.4191000 
1 1 1   28    2   12 o   9.0860   0.3578   9.7500   0.4568   8.4220   0.5508 1.329000 0.7156000 
1 1 1   28    2   13 o   22.590   0.2457   22.850   0.3117   22.330   0.3797 0.5213000 0.4913000 
1 1 1   28    2   14 o   12.480   0.2674   12.870   0.3349   12.090   0.4170 0.7809000 0.5348000 
1 1 1   28    2   15 o   12.310   0.2955   12.000   0.4276   12.630   0.4081 -0.6272000 0.5911000 
1 1 1   28    2   16 o   13.770   0.2996   13.670   0.4590   13.880   0.3851 -0.2085000 0.5992000 
1 1 1   28    2   17 o   17.330   0.4545   16.480   0.6620   18.170   0.6228 -1.689000 0.9089000 
1 1 1   28    2   18 o   10.410   0.3412   10.630   0.4770   10.190   0.4881 0.4409000 0.6825000 
1 1 1   28    2   19 o   8.0540   0.4214   8.5690   0.5644   7.5380   0.6260 1.030000 0.8428000 
1 1 1   28    2   20 o   2.5420   0.6976   3.4040   1.1290   1.6800   0.8193 1.724000 1.395000 
1 1 1   28    2   21 o   2.8010   0.7235   3.7090   1.1360   1.8930   0.8968 1.817000 1.447000 
1 1 1   28    2   22 o   3.3280   0.7911   2.9440   1.1180   3.7120   1.1190 -0.7682000 1.582000 
1 1 1   28    2   23 o   5.3430   0.6324   5.3970   0.8878   5.2890   0.9008 0.1079000 1.265000 
1 1 1   28    2   24 o   3.4980   0.8085   2.8100   1.1600   4.1860   1.1260 -1.376000 1.617000 
1 1 1   28    2   25 o   8.1530   0.4477   7.8410   0.6447   8.4650   0.6212 -0.6239000 0.8953000 
1 1 1   28    2   26 o   3.0950   0.7728   2.2960   1.0300   3.8950   1.1530 -1.599000 1.546000 
1 1 1   28    2   27 o   3.5370   0.8451   3.7100   1.2040   3.3630   1.1860 0.3466000 1.690000 
1 1 1   28    2   28 o   2.1180   0.7400   2.2650   1.1200   1.9710   0.9672 0.2938000 1.480000 
1 1 1   28    4    0 o   18.780   0.1453   18.850   0.2047   18.700   0.2062 0.1521000 0.2906000 
1 1 1   28    4    1 o   18.730   0.1507   18.930   0.2139   18.530   0.2124 0.4001000 0.3015000 
1 1 1   28    4    2 o   21.780   0.2611   21.580   0.4476   21.980   0.2692 -0.3908000 0.5223000 
1 1 1   28    4    3 o   46.930   0.4063   47.390   0.7106   46.470   0.3941 0.9196000 0.8126000 
1 1 1   28    4    4 o   33.190   0.3331   32.810   0.5512   33.560   0.3741 -0.7499000 0.6662000 
1 1 1   28    4    5 o   38.590   0.2674   37.560   0.4063   39.630   0.3478 -2.069000 0.5349000 
1 1 1   28    4    6 f   9.6550   0.2402   9.7410   0.3414   9.5690   0.3380 0.1714000 0.4804000 
1 1 1   28    4    7 o   4.0560   0.5769   3.3440   0.9282   4.7670   0.6851 -1.423000 1.154000 
1 1 1   28    4    8 o   33.530   0.2261   33.760   0.3223   33.310   0.3171 0.4498000 0.4522000 
1 1 1   28    4    9 o   25.460   0.2042   25.190   0.2880   25.730   0.2896 -0.5445000 0.4084000 
1 1 1   28    4   10 o   22.650   0.2315   22.260   0.3628   23.050   0.2878 -0.7827000 0.4631000 
1 1 1   28    4   11 o   6.8450   0.4759   7.2530   0.6877   6.4370   0.6582 0.8156000 0.9519000 
1 1 1   28    4   12 o   13.420   0.3800   12.950   0.6130   13.880   0.4492 -0.9346000 0.7599000 
1 1 1   28    4   13 o   7.4560   0.4385   7.4070   0.6325   7.5060   0.6074 -0.9970000E-01 0.8769000 
1 1 1   28    4   14 o   3.1650   0.6919   4.0310   0.9530   2.2990   1.0030 1.732000 1.384000 
1 1 1   28    4   15 o   3.6680   0.6991   4.5640   0.8778   2.7720   1.0880 1.792000 1.398000 
1 1 1   28    4   16 o   13.690   0.3023   14.320   0.3784   13.060   0.4715 1.264000 0.6046000 
1 1 1   28    4   17 o   9.4940   0.4151   9.9730   0.5138   9.0140   0.6522 0.9581000 0.8302000 
1 1 1   28    4   18 o   9.3330   0.3470   9.3060   0.4597   9.3590   0.5198 -0.5264000E-01 0.6939000 
1 1 1   28    4   19 o   6.0840   0.5220   6.2110   0.6658   5.9570   0.8043 0.2545000 1.044000 
1 1 1   28    4   20 o   5.3220   0.6314   6.3130   0.6591   4.3310   1.0770 1.982000 1.263000 
1 1 1   28    4   21 o   3.7830   0.6990   4.7480   0.8659   2.8180   1.0980 1.930000 1.398000 
1 1 1   28    4   22 o   4.1270   0.7379   4.2910   0.9830   3.9630   1.1010 0.3280000 1.476000 
1 1 1   28    4   23 o   5.3810   0.6093   5.4910   0.8071   5.2710   0.9131 0.2198000 1.219000 
1 1 1   28    4   24 o   2.4460   0.7754   2.3560   1.0720   2.5370   1.1200 -0.1814000 1.551000 
1 1 1   28    4   25 o   2.7720   0.7519   2.1990   0.9731   3.3450   1.1460 -1.146000 1.504000 
1 1 1   28    4   26 o   1.9020   0.6362   1.7160   0.8282   2.0880   0.9659 -0.3724000 1.272000 
1 1 1   28    4   27 o   2.3440   0.7228   2.2630   0.9916   2.4240   1.0520 -0.1616000 1.446000 
1 1 1   28    4   28 o   1.9860   0.7080   1.7640   0.9016   2.2080   1.0920 -0.4446000 1.416000 
1 1 1   28    6    0 o   33.950   0.2008   34.390   0.3040   33.520   0.2624 0.8655000 0.4016000 
1 1 1   28    6    1 o   36.780   0.2287   36.870   0.3239   36.690   0.3228 0.1753000 0.4573000 
1 1 1   28    6    2 o   58.000   0.3424   58.510   0.4884   57.500   0.4800 1.016000 0.6848000 
1 1 1   28    6    3 o   8.0430   0.4481  ?   ?    8.0430   0.4481      ?      ? 
1 1 1   28    6    4 o   10.140   0.3013  ?   ?    10.140   0.3013      ?      ? 
1 1 1   28    6    5 o   36.540   0.3448   36.290   0.6039   36.790   0.3329 -0.4991000 0.6896000 
1 1 1   28    6    6 o   31.780   0.3231   32.190   0.5711   31.360   0.3022 0.8369000 0.6461000 
1 1 1   28    6    7 o   12.380   0.4287   11.460   0.8018   13.290   0.3038 -1.832000 0.8574000 
1 1 1   28    6    8 o   20.700   0.2008   20.460   0.2891   20.950   0.2789 -0.4856000 0.4017000 
1 1 1   28    6    9 o   23.710   0.2083   23.500   0.2990   23.930   0.2900 -0.4383000 0.4165000 
1 1 1   28    6   10 o   7.9090   0.4089   7.4420   0.6579   8.3760   0.4859 -0.9344000 0.8179000 
1 1 1   28    6   11 o   22.520   0.2336   22.660   0.3576   22.370   0.3006 0.2897000 0.4671000 
1 1 1   28    6   12 o   12.860   0.3480   12.830   0.5001   12.890   0.4839 -0.6160000E-01 0.6959000 
1 1 1   28    6   13 o   7.4880   0.4344   7.2420   0.6388   7.7330   0.5888 -0.4907000 0.8687000 
1 1 1   28    6   14 o   2.8250   0.7735   2.8200   1.0970   2.8290   1.0910 -0.8739000E-02 1.547000 
1 1 1   28    6   15 o   6.7070   0.5009   7.2430   0.6464   6.1710   0.7654 1.071000 1.002000 
1 1 1   28    6   16 o   9.1770   0.5360   9.1770   0.5360  ?   ?       ?      ? 
1 1 1   28    6   17 o   11.090   0.3982   11.870   0.5532   10.300   0.5729 1.564000 0.7964000 
1 1 1   28    6   18 o   5.1970   0.7120   7.0650   0.6799   3.3290   1.2510 3.735000 1.424000 
1 1 1   28    6   19 o   9.5530   0.3542   9.5500   0.4620   9.5560   0.5370 -0.6711000E-02 0.7084000 
1 1 1   28    6   20 o   8.3000   0.3881   8.4900   0.5026   8.1090   0.5915 0.3807000 0.7762000 
1 1 1   28    6   21 o   1.9780   0.6464   1.8840   0.8787   2.0730   0.9483 -0.1890000 1.293000 
1 1 1   28    6   22 f   2.7610   0.7497   3.0960   1.0790   2.4270   1.0410 0.6696000 1.499000 
1 1 1   28    6   23 o   2.5350   0.7501   2.7810   1.1180   2.2900   1.0010 0.4910000 1.500000 
1 1 1   28    6   24 o   2.1550   0.7058   1.6980   0.8298   2.6120   1.1420 -0.9141000 1.412000 
1 1 1   28    6   25 o   2.2340   0.6973   2.2970   0.9939   2.1700   0.9783 0.1265000 1.395000 
1 1 1   28    6   26 o   4.4970   0.7493   4.5250   1.0140   4.4700   1.1030 0.5544000E-01 1.499000 
1 1 1   28    6   27 o   2.7650   0.7649   3.1550   1.1160   2.3750   1.0470 0.7801000 1.530000 
1 1 1   28    6   28 o   2.1680   0.7438   2.4420   1.1410   1.8950   0.9544 0.5470000 1.488000 
1 1 1   28    8    0 o   32.660   0.2155   33.120   0.3036   32.210   0.3058 0.9145000 0.4309000 
1 1 1   28    8    1 o   52.090   0.4445  ?   ?    52.090   0.4445      ?      ? 
1 1 1   28    8    2 o   37.280   0.2928   37.160   0.4143   37.400   0.4138 -0.2394000 0.5855000 
1 1 1   28    8    3 o   36.510   0.2348   36.510   0.3325   36.520   0.3316 -0.1344000E-01 0.4696000 
1 1 1   28    8    4 o   55.580   0.3333   56.080   0.4756   55.080   0.4669 1.002000 0.6665000 
1 1 1   28    8    5 o   27.440   0.2036   27.350   0.2883   27.520   0.2876 -0.1738000 0.4072000 
1 1 1   28    8    6 o   36.870   0.2430   36.350   0.3424   37.380   0.3450 -1.027000 0.4860000 
1 1 1   28    8    7 o   32.630   0.3401   32.570   0.5996   32.690   0.3210 -0.1216000 0.6801000 
1 1 1   28    8    8 o   23.230   0.3230   23.420   0.5762   23.030   0.2921 0.3879000 0.6460000 
1 1 1   28    8    9 o   28.540   0.3809  ?   ?    28.540   0.3809      ?      ? 
1 1 1   28    8   10 o   12.880   0.2855   12.110   0.4430   13.660   0.3602 -1.548000 0.5709000 
1 1 1   28    8   11 o   12.870   0.4984  ?   ?    12.870   0.4984      ?      ? 
1 1 1   28    8   12 o   18.770   0.2339   18.700   0.3364   18.830   0.3250 -0.1266000 0.4677000 
1 1 1   28    8   13 o   20.490   0.2337   20.760   0.3362   20.210   0.3246 0.5502000 0.4674000 
1 1 1   28    8   14 o   16.760   0.2707   17.120   0.3567   16.400   0.4072 0.7222000 0.5413000 
1 1 1   28    8   15 o   9.6190   0.3891   10.050   0.4896   9.1840   0.6048 0.8695000 0.7781000 
1 1 1   28    8   16 o   11.960   0.3859   11.690   0.5613   12.240   0.5298 -0.5490000 0.7718000 
1 1 1   28    8   17 o   9.4230   0.3729   9.6940   0.5141   9.1520   0.5405 0.5426000 0.7459000 
1 1 1   28    8   18 o   7.9540   0.4267   7.9740   0.6170   7.9330   0.5897 0.4091000E-01 0.8535000 
1 1 1   28    8   19 o   4.0960   0.7702   3.6890   1.1420   4.5030   1.0340 -0.8139000 1.540000 
1 1 1   28    8   20 o   2.6660   0.7658   2.7300   1.0990   2.6020   1.0660 0.1277000 1.532000 
1 1 1   28    8   21 o   3.2120   0.8011   3.4990   1.1590   2.9260   1.1060 0.5725000 1.602000 
1 1 1   28    8   22 o   7.9030   0.4495   8.3040   0.6296   7.5010   0.6416 0.8030000 0.8989000 
1 1 1   28    8   23 o   2.6330   0.7619   2.4950   1.0640   2.7700   1.0910 -0.2746000 1.524000 
1 1 1   28    8   24 o   2.5600   0.7859   2.6900   1.1200   2.4310   1.1030 0.2586000 1.572000 
1 1 1   28    8   25 o   3.6030   0.7987   3.8830   1.1040   3.3230   1.1540 0.5606000 1.597000 
1 1 1   28    8   26 o   2.9540   0.7758   2.3470   1.0200   3.5610   1.1690 -1.214000 1.552000 
1 1 1   28    8   27 o   2.0790   0.6992   1.8660   0.9032   2.2920   1.0680 -0.4260000 1.398000 
1 1 1   28   10    0 o   21.510   0.2387   23.110   0.3083   19.910   0.3645 3.199000 0.4774000 
1 1 1   28   10    1 o   15.700   0.1954   15.720   0.3055   15.670   0.2438 0.5169000E-01 0.3909000 
1 1 1   28   10    2 o   25.720   0.2052   25.340   0.3252   26.110   0.2505 -0.7765000 0.4105000 
1 1 1   28   10    3 o   37.660   0.2448   37.590   0.3463   37.730   0.3462 -0.1314000 0.4897000 
1 1 1   28   10    4 o   29.430   0.2134   29.190   0.3003   29.660   0.3032 -0.4690000 0.4267000 
1 1 1   28   10    5 o   19.870   0.2184   20.020   0.2859   19.720   0.3301 0.3029000 0.4367000 
1 1 1   28   10    6 o   4.0940   0.6906   4.2680   0.9681   3.9200   0.9851 0.3479000 1.381000 
1 1 1   28   10    7 o   9.4580   0.3410   9.8850   0.5014   9.0310   0.4624 0.8539000 0.6821000 
1 1 1   28   10    8 o   25.070   0.2189   24.970   0.3154   25.170   0.3036 -0.1925000 0.4378000 
1 1 1   28   10    9 o   13.880   0.2575   13.460   0.3837   14.310   0.3437 -0.8547000 0.5151000 
1 1 1   28   10   10 o   12.960   0.5010   12.440   0.8726   13.470   0.4927 -1.029000 1.002000 
1 1 1   28   10   11 f   7.6580   0.8271   6.6600   1.5660   8.6560   0.5345 -1.996000 1.654000 
1 1 1   28   10   12 o   10.210   0.5953   9.8860   1.1000   10.530   0.4558 -0.6462000 1.191000 
1 1 1   28   10   13 o   9.2980   0.4072   8.5050   0.5997   10.090   0.5509 -1.586000 0.8144000 
1 1 1   28   10   14 o   12.700   0.2962   12.760   0.4270   12.640   0.4107 0.1205000 0.5925000 
1 1 1   28   10   15 o   6.2620   0.7112   6.3510   1.0550   6.1730   0.9542 0.1785000 1.422000 
1 1 1   28   10   16 o   2.8260   0.7749   2.4750   1.0720   3.1770   1.1200 -0.7024000 1.550000 
1 1 1   28   10   17 o   3.0080   0.8049   3.0570   1.1660   2.9580   1.1100 0.9942000E-01 1.610000 
1 1 1   28   10   18 o   2.7800   0.7721   3.3390   1.1840   2.2200   0.9917 1.119000 1.544000 
1 1 1   28   10   19 o   5.7450   0.6168   5.5440   0.9404   5.9470   0.7984 -0.4033000 1.234000 
1 1 1   28   10   20 o   2.9510   0.7916   3.1250   1.1580   2.7760   1.0790 0.3489000 1.583000 
1 1 1   28   10   21 o   2.5990   0.7600   2.4710   1.0700   2.7260   1.0790 -0.2550000 1.520000 
1 1 1   28   10   22 o   3.5650   0.8587   4.0670   1.3020   3.0630   1.1210 1.004000 1.717000 
1 1 1   28   10   23 o   3.3730   0.8549   2.3670   1.1000   4.3790   1.3090 -2.011000 1.710000 
1 1 1   28   10   24 o   2.0290   0.6725   2.2800   1.0340   1.7780   0.8602 0.5020000 1.345000 
1 1 1   28   10   25 o   2.4490   0.7475   2.8600   1.1540   2.0380   0.9503 0.8219000 1.495000 
1 1 1   28   10   26 o   2.3000   0.7481   2.2450   1.0300   2.3560   1.0850 -0.1117000 1.496000 
1 1 1   28   10   27 o   2.1080   0.7351   2.1380   1.0410   2.0790   1.0380 0.5860000E-01 1.470000 
1 1 1   28   12    0 o   36.980   0.2294   36.910   0.3453   37.050   0.3019 -0.1356000 0.4587000 
1 1 1   28   12    1 o   4.1030   0.6167   3.8700   0.9599   4.3370   0.7745 -0.4665000 1.233000 
1 1 1   28   12    2 o   31.250   0.2268   31.980   0.3221   30.520   0.3194 1.459000 0.4537000 
1 1 1   28   12    3 o   14.470   0.2489   14.750   0.3710   14.190   0.3320 0.5590000 0.4979000 
1 1 1   28   12    4 o   2.5320   0.7312   2.3680   1.0260   2.6960   1.0420 -0.3278000 1.462000 
1 1 1   28   12    5 o   26.050   0.2357   26.230   0.3604   25.870   0.3037 0.3641000 0.4713000 
1 1 1   28   12    6 o   37.060   0.2537   37.130   0.3614   36.990   0.3562 0.1430000 0.5074000 
1 1 1   28   12    7 o   8.7030   0.3717   8.8340   0.5139   8.5710   0.5373 0.2626000 0.7435000 
1 1 1   28   12    8 o   27.710   0.2889   27.640   0.4077   27.790   0.4094 -0.1500000 0.5778000 
1 1 1   28   12    9 o   29.390   0.2950   29.340   0.4207   29.440   0.4136 -0.9969000E-01 0.5900000 
1 1 1   28   12   10 o   19.280   0.2322   19.250   0.3336   19.310   0.3231 -0.5306000E-01 0.4644000 
1 1 1   28   12   11 o   6.5750   0.5387   6.5050   0.7385   6.6460   0.7846 -0.1411000 1.077000 
1 1 1   28   12   12 o   10.380   0.3619   10.240   0.4999   10.520   0.5236 -0.2767000 0.7239000 
1 1 1   28   12   13 o   7.6790   0.8029   7.4160   1.4830   7.9420   0.6151 -0.5262000 1.606000 
1 1 1   28   12   14 o   13.960   0.4872   14.410   0.8354   13.510   0.5016 0.8983000 0.9745000 
1 1 1   28   12   15 o   5.3790   0.9431   5.2320   1.6920   5.5250   0.8344 -0.2935000 1.886000 
1 1 1   28   12   16 o   2.7530   0.7849   3.6370   1.2970   1.8690   0.8837 1.768000 1.570000 
1 1 1   28   12   17 o   7.1720   0.4882   7.9010   0.6424   6.4420   0.7352 1.459000 0.9764000 
1 1 1   28   12   18 o   2.2460   0.7107   2.3620   1.0420   2.1300   0.9667 0.2312000 1.421000 
1 1 1   28   12   19 o   3.3690   0.7498   2.4650   1.0650   4.2730   1.0560 -1.808000 1.500000 
1 1 1   28   12   20 o   3.3310   0.7990   3.8860   1.1710   2.7760   1.0880 1.110000 1.598000 
1 1 1   28   12   21 o   2.6880   0.7748   2.3680   1.0760   3.0070   1.1150 -0.6383000 1.550000 
1 1 1   28   12   22 o   2.6000   0.8098   2.0490   0.9976   3.1510   1.2760 -1.102000 1.620000 
1 1 1   28   12   23 o   4.9680   0.7468   5.0160   1.0890   4.9190   1.0220 0.9699000E-01 1.494000 
1 1 1   28   12   24 o   2.1940   0.7128   2.3030   1.0490   2.0860   0.9650 0.2164000 1.426000 
1 1 1   28   12   25 o   2.6140   0.7910   2.0230   0.9598   3.2060   1.2570 -1.183000 1.582000 
1 1 1   28   12   26 o   2.2070   0.7469   2.2770   1.0940   2.1380   1.0180 0.1389000 1.494000 
1 1 1   28   14    0 o   10.090   0.4244  ?   ?    10.090   0.4244      ?      ? 
1 1 1   28   14    1 o   7.6570   0.3671   7.6970   0.5469   7.6160   0.4899 0.8104000E-01 0.7343000 
1 1 1   28   14    2 o   10.350   0.2916   9.9100   0.4472   10.800   0.3743 -0.8849000 0.5832000 
1 1 1   28   14    3 o   8.6160   0.3337   9.1740   0.4752   8.0580   0.4687 1.116000 0.6674000 
1 1 1   28   14    4 o   19.930   0.2086   19.620   0.3151   20.250   0.2734 -0.6350000 0.4172000 
1 1 1   28   14    5 o   15.290   0.2342   15.400   0.3454   15.190   0.3164 0.2173000 0.4684000 
1 1 1   28   14    6 o   4.5720   0.8759   4.9120   1.1770   4.2310   1.2980 0.6811000 1.752000 
1 1 1   28   14    7 o   6.9060   0.6206   7.5190   0.7452   6.2930   0.9926 1.226000 1.241000 
1 1 1   28   14    8 o   16.470   0.2483   16.120   0.3533   16.810   0.3491 -0.6968000 0.4967000 
1 1 1   28   14    9 o   17.270   0.2635   16.860   0.3536   17.670   0.3906 -0.8029000 0.5269000 
1 1 1   28   14   10 o   11.670   0.3371   11.410   0.4503   11.930   0.5018 -0.5184000 0.6742000 
1 1 1   28   14   11 o   8.4660   0.4081   7.9700   0.6072   8.9610   0.5455 -0.9903000 0.8163000 
1 1 1   28   14   12 o   5.0630   0.8205   4.5840   1.2760   5.5410   1.0320 -0.9572000 1.641000 
1 1 1   28   14   13 o   3.0370   0.8614   3.2750   1.2760   2.7990   1.1570 0.4768000 1.723000 
1 1 1   28   14   14 o   4.2260   0.7451   4.8890   1.0060   3.5630   1.1000 1.326000 1.490000 
1 1 1   28   14   15 o   6.6550   0.5300   5.7510   0.8653   7.5600   0.6121 -1.809000 1.060000 
1 1 1   28   14   16 o   9.0230   0.6882   8.5880   1.2790   9.4580   0.5082 -0.8704000 1.376000 
1 1 1   28   14   17 o   3.3040   0.9082   3.0920   1.4170   3.5150   1.1360 -0.4233000 1.816000 
1 1 1   28   14   18 o   2.5940   0.8444   2.8690   1.3530   2.3190   1.0110 0.5498000 1.689000 
1 1 1   28   14   19 o   3.2980   1.1320  ?   ?    3.2980   1.1320      ?      ? 
1 1 1   28   14   20 o   6.8470   0.5801   6.5590   0.9383   7.1350   0.6825 -0.5755000 1.160000 
1 1 1   28   14   21 o   3.9710   0.8206   5.4290   1.1780   2.5140   1.1430 2.914000 1.641000 
1 1 1   28   14   22 o   2.2480   0.7120   2.0240   0.9512   2.4730   1.0600 -0.4490000 1.424000 
1 1 1   28   14   23 o   2.3850   0.7421   2.2160   1.0190   2.5540   1.0790 -0.3386000 1.484000 
1 1 1   28   14   24 o   2.6540   0.8047   2.7610   1.1480   2.5460   1.1280 0.2150000 1.609000 
1 1 1   28   14   25 o   2.1670   0.7486   2.2990   1.1020   2.0350   1.0140 0.2637000 1.497000 
1 1 1   28   16    0 o   6.1810   0.4611   6.3390   0.6809   6.0230   0.6221 0.3159000 0.9223000 
1 1 1   28   16    1 o   12.400   0.2588   12.320   0.3880   12.490   0.3427 -0.1659000 0.5177000 
1 1 1   28   16    2 f   17.760   0.2149   18.080   0.3196   17.440   0.2875 0.6397000 0.4299000 
1 1 1   28   16    3 o   14.190   0.3056   14.320   0.4637   14.060   0.3981 0.2558000 0.6111000 
1 1 1   28   16    4 o   13.230   0.3226   13.690   0.4840   12.770   0.4266 0.9182000 0.6452000 
1 1 1   28   16    5 o   13.520   0.2710   13.340   0.3852   13.700   0.3814 -0.3668000 0.5420000 
1 1 1   28   16    6 o   20.350   0.2347   20.140   0.3307   20.570   0.3332 -0.4288000 0.4695000 
1 1 1   28   16    7 f   18.070   0.2478   17.970   0.3463   18.180   0.3546 -0.2129000 0.4957000 
1 1 1   28   16    8 o   4.3530   0.7478   3.0410   1.1280   5.6660   0.9821 -2.625000 1.496000 
1 1 1   28   16    9 o   11.960   0.3100   12.040   0.4363   11.880   0.4406 0.1603000 0.6200000 
1 1 1   28   16   10 o   6.0090   0.7646   5.0780   1.2250   6.9390   0.9154 -1.861000 1.529000 
1 1 1   28   16   11 o   2.8380   0.8264   3.5030   1.2950   2.1720   1.0260 1.331000 1.653000 
1 1 1   28   16   12 o   5.4760   0.6342   6.0890   0.8018   4.8620   0.9827 1.227000 1.268000 
1 1 1   28   16   13 o   7.0630   0.4747   7.2360   0.6560   6.8900   0.6864 0.3456000 0.9494000 
1 1 1   28   16   14 f   4.5550   0.7323   4.3320   1.0930   4.7770   0.9754 -0.4453000 1.465000 
1 1 1   28   16   15 o   6.1970   0.5712   5.6980   0.8958   6.6950   0.7088 -0.9968000 1.142000 
1 1 1   28   16   16 o   3.1530   0.7305   4.2900   1.1220   2.0170   0.9353 2.273000 1.461000 
1 1 1   28   16   17 o   2.7900   0.7627   2.2920   1.0310   3.2880   1.1240 -0.9966000 1.525000 
1 1 1   28   16   18 o   3.9880   0.8472   4.1260   1.2630   3.8510   1.1290 0.2743000 1.694000 
1 1 1   28   16   19 o   7.2370   0.5157   6.8820   0.7927   7.5910   0.6599 -0.7093000 1.031000 
1 1 1   28   16   20 o   2.6130   0.8769   3.0590   1.4190   2.1670   1.0300 0.8916000 1.754000 
1 1 1   28   16   21 o   2.6890   0.8365   2.5340   1.2390   2.8440   1.1250 -0.3107000 1.673000 
1 1 1   28   16   22 o   2.4610   0.7982   2.3620   1.1750   2.5600   1.0810 -0.1982000 1.596000 
1 1 1   28   16   23 o   2.3130   0.7877   2.3620   1.1730   2.2630   1.0520 0.9869000E-01 1.575000 
1 1 1   28   18    0 o   9.9730   0.3327   9.7950   0.4844   10.150   0.4562 -0.3560000 0.6654000 
1 1 1   28   18    1 o   4.6580   0.6692   3.7870   1.0740   5.5300   0.7990 -1.744000 1.338000 
1 1 1   28   18    2 o   10.490   0.3004   10.130   0.4569   10.840   0.3902 -0.7049000 0.6008000 
1 1 1   28   18    3 o   5.3400   0.5907   4.5490   0.9875   6.1310   0.6486 -1.582000 1.181000 
1 1 1   28   18    4 o   7.3730   0.4282   7.0140   0.6616   7.7310   0.5439 -0.7169000 0.8565000 
1 1 1   28   18    5 o   2.5590   0.7177   3.0970   1.1100   2.0200   0.9098 1.078000 1.435000 
1 1 1   28   18    6 o   2.1490   0.6778   2.3340   1.0160   1.9640   0.8975 0.3701000 1.356000 
1 1 1   28   18    7 o   3.5380   0.7648   3.8100   1.1010   3.2660   1.0620 0.5438000 1.530000 
1 1 1   28   18    8 o   4.3860   0.8396   4.3120   1.2730   4.4600   1.0950 -0.1484000 1.679000 
1 1 1   28   18    9 o   7.0950   0.4929   6.6230   0.7308   7.5660   0.6616 -0.9438000 0.9858000 
1 1 1   28   18   10 o   3.3430   0.7180   4.5220   1.0430   2.1640   0.9870 2.358000 1.436000 
1 1 1   28   18   11 o   2.9210   0.7957   2.7720   1.0990   3.0710   1.1510 -0.2996000 1.591000 
1 1 1   28   18   12 o   6.4380   0.5377   6.2450   0.7753   6.6310   0.7454 -0.3860000 1.075000 
1 1 1   28   18   13 o   2.4370   0.7435   2.3810   1.0420   2.4930   1.0610 -0.1121000 1.487000 
1 1 1   28   18   14 o   4.5920   0.7142   5.7040   0.8734   3.4800   1.1300 2.224000 1.428000 
1 1 1   28   18   15 o   4.4940   0.7908   4.0850   1.2470   4.9040   0.9730 -0.8195000 1.582000 
1 1 1   28   18   16 o   3.6470   0.7967   2.9290   1.1870   4.3650   1.0630 -1.436000 1.593000 
1 1 1   28   18   17 o   3.2710   0.7890   2.6110   1.1030   3.9310   1.1280 -1.320000 1.578000 
1 1 1   28   18   18 o   5.6280   0.8482   5.3140   1.2530   5.9430   1.1430 -0.6286000 1.696000 
1 1 1   28   18   19 o   5.6880   0.6699   5.8020   0.9770   5.5740   0.9169 0.2278000 1.340000 
1 1 1   28   18   20 o   2.2710   0.7225   2.1360   0.9893   2.4070   1.0530 -0.2718000 1.445000 
1 1 1   28   18   21 o   2.7390   0.8038   2.3330   1.0510   3.1440   1.2160 -0.8105000 1.608000 
1 1 1   28   18   22 o   2.0080   0.6741   2.1390   1.0020   1.8780   0.9014 0.2612000 1.348000 
1 1 1   28   20    0 o   10.270   0.3251   9.6590   0.5105   10.870   0.4027 -1.216000 0.6502000 
1 1 1   28   20    1 o   11.120   0.2939   11.170   0.4315   11.060   0.3992 0.1149000 0.5878000 
1 1 1   28   20    2 o   2.3930   0.6991   2.0760   0.9421   2.7100   1.0330 -0.6334000 1.398000 
1 1 1   28   20    3 o   3.8820   0.7395   4.0490   1.0720   3.7140   1.0190 0.3342000 1.479000 
1 1 1   28   20    4 o   8.1150   0.4868   8.2050   0.7418   8.0260   0.6306 0.1785000 0.9736000 
1 1 1   28   20    5 o   4.6150   0.8152   4.3050   1.3100   4.9240   0.9710 -0.6196000 1.630000 
1 1 1   28   20    6 o   8.9530   0.3620   9.0260   0.5465   8.8800   0.4749 0.1463000 0.7240000 
1 1 1   28   20    7 o   6.9940   0.4621   6.6970   0.7226   7.2920   0.5761 -0.5952000 0.9242000 
1 1 1   28   20    8 o   5.0280   0.6513   3.6850   1.1280   6.3710   0.6515 -2.686000 1.303000 
1 1 1   28   20    9 o   8.2730   0.3913   7.9430   0.6051   8.6030   0.4964 -0.6597000 0.7826000 
1 1 1   28   20   10 o   4.7230   0.6829   4.3280   1.0840   5.1180   0.8302 -0.7899000 1.366000 
1 1 1   28   20   11 o   4.7330   0.7405   4.4540   1.0870   5.0110   1.0070 -0.5562000 1.481000 
1 1 1   28   20   12 o   3.9230   0.8233   4.2140   1.1420   3.6320   1.1860 0.5817000 1.647000 
1 1 1   28   20   13 o   5.6030   0.7240   4.6870   1.1990   6.5190   0.8122 -1.832000 1.448000 
1 1 1   28   20   14 o   4.2570   0.7985   4.4120   1.1300   4.1020   1.1280 0.3103000 1.597000 
1 1 1   28   20   15 o   3.0360   0.7978   2.5260   1.0940   3.5460   1.1620 -1.020000 1.596000 
1 1 1   28   20   16 o   2.8400   0.8553   2.8990   1.2260   2.7820   1.1930 0.1166000 1.711000 
1 1 1   28   20   17 o   2.9300   0.8737   2.8770   1.2270   2.9830   1.2440 -0.1061000 1.747000 
1 1 1   28   20   18 o   3.2390   0.8152   2.7570   1.1460   3.7220   1.1590 -0.9653000 1.630000 
1 1 1   28   20   19 o   2.9410   0.8434   3.0380   1.1940   2.8440   1.1910 0.1940000 1.687000 
1 1 1   28   20   20 o   2.3410   0.7305   2.0260   0.9585   2.6560   1.1030 -0.6302000 1.461000 
1 1 1   28   22    0 f   12.960   0.3528   12.670   0.5621   13.250   0.4266 -0.5844000 0.7056000 
1 1 1   28   22    1 f   3.4050   0.7602   2.9150   1.1280   3.8940   1.0190 -0.9793000 1.520000 
1 1 1   28   22    2 o   8.2910   0.3839   8.3320   0.5651   8.2490   0.5198 0.8294000E-01 0.7678000 
1 1 1   28   22    3 o   3.7330   0.7636   3.6080   1.1350   3.8580   1.0220 -0.2501000 1.527000 
1 1 1   28   22    4 f   5.6990   0.5777   5.2080   0.9295   6.1900   0.6862 -0.9823000 1.155000 
1 1 1   28   22    5 o   8.5630   0.3763   8.6700   0.5564   8.4560   0.5067 0.2143000 0.7526000 
1 1 1   28   22    6 o   5.6950   0.5652   6.4100   0.7601   4.9800   0.8368 1.430000 1.130000 
1 1 1   28   22    7 f   7.4340   0.4424   7.6860   0.6501   7.1810   0.6002 0.5044000 0.8848000 
1 1 1   28   22    8 o   5.0900   0.6464   4.9530   0.9837   5.2260   0.8389 -0.2728000 1.293000 
1 1 1   28   22    9 o   3.4630   0.8373   3.4360   1.2290   3.4910   1.1380 -0.5516000E-01 1.675000 
1 1 1   28   22   10 o   2.5480   0.7706   2.5980   1.1250   2.4990   1.0540 0.9942000E-01 1.541000 
1 1 1   28   22   11 o   4.4480   0.7262   4.1500   1.1380   4.7470   0.9028 -0.5978000 1.452000 
1 1 1   28   22   12 o   1.9880   0.6541   1.9040   0.9064   2.0720   0.9433 -0.1684000 1.308000 
1 1 1   28   22   13 o   1.9990   0.6629   2.3960   1.0590   1.6030   0.7977 0.7933000 1.326000 
1 1 1   28   22   14 o   2.1670   0.7382   1.9570   0.9567   2.3760   1.1250 -0.4188000 1.476000 
1 1 1   28   22   15 o   3.3320   0.8792   4.0790   1.3560   2.5850   1.1200 1.494000 1.758000 
1 1 1   28   22   16 f   2.3220   0.7394   2.3300   1.0490   2.3130   1.0420 0.1730000E-01 1.479000 
1 1 1   28   22   17 o   2.8360   0.8175   3.2420   1.2110   2.4300   1.0980 0.8115000 1.635000 
1 1 1   28   22   18 o   2.3120   0.7685   2.9520   1.2790   1.6710   0.8525 1.281000 1.537000 
1 1 1   28   24    0 o   2.4180   0.7211   2.2150   1.0020   2.6210   1.0370 -0.4055000 1.442000 
1 1 1   28   24    1 o   10.240   0.3377   10.550   0.5056   9.9180   0.4478 0.6352000 0.6754000 
1 1 1   28   24    2 o   2.6780   0.7457   2.5060   1.0590   2.8500   1.0500 -0.3448000 1.491000 
1 1 1   28   24    3 o   2.5220   0.7550   2.2700   1.0350   2.7740   1.0990 -0.5039000 1.510000 
1 1 1   28   24    4 o   4.8240   0.7444   4.1220   1.2130   5.5260   0.8630 -1.405000 1.489000 
1 1 1   28   24    5 o   6.5480   0.6035   5.7360   1.0170   7.3600   0.6506 -1.623000 1.207000 
1 1 1   28   24    6 o   2.0750   0.6659   1.9420   0.9178   2.2080   0.9650 -0.2657000 1.332000 
1 1 1   28   24    7 o   3.4940   0.7333   4.5660   1.0610   2.4210   1.0130 2.145000 1.467000 
1 1 1   28   24    8 o   2.6630   0.7426   3.2950   1.1610   2.0310   0.9266 1.264000 1.485000 
1 1 1   28   24    9 o   2.5780   0.7535   2.6600   1.0970   2.4970   1.0330 0.1622000 1.507000 
1 1 1   28   24   10 o   1.7290   0.5917   1.7510   0.8518   1.7070   0.8216 0.4356000E-01 1.183000 
1 1 1   28   24   11 o   6.1490   0.7105   6.1980   1.0680   6.1000   0.9368 0.9738000E-01 1.421000 
1 1 1   28   24   12 f   3.0080   0.8533   3.6190   1.3200   2.3970   1.0810 1.222000 1.707000 
1 1 1   28   24   13 o   2.2330   0.7149   2.0540   0.9634   2.4130   1.0560 -0.3593000 1.430000 
1 1 1   28   24   14 o   3.1520   0.8195   3.6120   1.2080   2.6910   1.1080 0.9208000 1.639000 
1 1 1   28   24   15 o   4.3500   0.7760   5.6890   0.9917   3.0110   1.1940 2.678000 1.552000 
1 1 1   28   26    0 f   3.7430   0.8882   3.9040   1.1880   3.5820   1.3200 0.3222000 1.776000 
1 1 1   28   26    1 o   8.2590   0.5307   7.8050   0.6813   8.7120   0.8138 -0.9068000 1.061000 
1 1 1   28   26    2 o   2.8390   0.8231   2.9490   1.1280   2.7290   1.1990 0.2201000 1.646000 
1 1 1   28   26    3 o   2.6050   0.7447   3.0700   1.1430   2.1400   0.9548 0.9293000 1.489000 
1 1 1   28   26    4 o   2.6340   0.7601   2.7370   1.1200   2.5310   1.0280 0.2056000 1.520000 
1 1 1   28   26    5 o   4.0820   0.7570   4.2070   1.1040   3.9570   1.0360 0.2496000 1.514000 
1 1 1   28   26    6 o   4.6090   0.7115   3.9440   1.1520   5.2750   0.8350 -1.331000 1.423000 
1 1 1   28   26    7 o   3.5910   0.8603   4.4730   1.2880   2.7090   1.1410 1.763000 1.721000 
1 1 1   28   26    8 o   4.1680   0.8544   5.1990   1.2020   3.1380   1.2150 2.061000 1.709000 
1 1 1   28   26    9 f   2.3840   0.7452   2.3500   1.0480   2.4170   1.0590 -0.6623000E-01 1.490000 
1 1 1   28   26   10 o   2.3320   0.7249   1.8320   0.8857   2.8310   1.1480 -0.9986000 1.450000 
1 1 1   28   26   11 o   3.3320   0.8100   3.0690   1.1640   3.5960   1.1270 -0.5265000 1.620000 
1 1 1   28   28    0 o   2.8300   0.7843   3.4670   1.2020   2.1920   1.0070 1.275000 1.569000 
1 1 1   28   28    1 o   3.8530   0.9280   4.3710   1.3250   3.3350   1.3000 1.035000 1.856000 
1 1 1   28   28    2 o   2.3700   0.7742   2.1800   1.0340   2.5600   1.1530 -0.3800000 1.548000 
1 1 1   28   28    3 o   3.7100   0.9324   3.5780   1.3120   3.8420   1.3250 -0.2640000 1.865000 
1 1 1   28   28    4 o   2.1960   0.7329   2.3210   1.0360   2.0710   1.0370 0.2494000 1.466000 
1 1 1   28   28    5 o   2.5080   0.8250   2.3100   1.0260   2.7060   1.2920 -0.3957000 1.650000 
1 1 1   28   28    6 o   2.2100   0.7653   2.0320   0.9837   2.3880   1.1730 -0.3561000 1.531000 
1 1 1   29    1    0 o   3.3120   0.4762   3.9080   0.6074   2.7160   0.7335 1.192000 0.9523000 
1 1 1   29    1    1 o   53.480   0.4742   53.420   0.7777   53.550   0.5429 -0.1246000 0.9484000 
1 1 1   29    1    2 o   44.800   0.4044   44.770   0.6637   44.820   0.4622 -0.4602000E-01 0.8088000 
1 1 1   29    1    3 o   13.290   0.2621   13.060   0.4697   13.530   0.2327 -0.4682000 0.5242000 
1 1 1   29    1    4 o   18.830   0.3004   18.380   0.4386   19.280   0.4108 -0.9013000 0.6009000 
1 1 1   29    1    5 o   10.690   0.2090   10.850   0.2924   10.530   0.2987 0.3178000 0.4180000 
1 1 1   29    1    6 o   9.6300   0.2392   9.7730   0.3354   9.4870   0.3412 0.2861000 0.4785000 
1 1 1   29    1    7 o   33.350   0.2212   33.610   0.3152   33.080   0.3105 0.5256000 0.4425000 
1 1 1   29    1    8 o   15.830   0.1996   16.270   0.2819   15.380   0.2826 0.8855000 0.3992000 
1 1 1   29    1    9 o   13.640   0.2309   13.620   0.3272   13.660   0.3258 -0.4245000E-01 0.4617000 
1 1 1   29    1   10 o   37.040   0.2462   37.140   0.3496   36.950   0.3469 0.1979000 0.4925000 
1 1 1   29    1   11 o   2.2030   0.6802   2.0080   0.9164   2.3970   1.0050 -0.3890000 1.360000 
1 1 1   29    1   12 o   11.260   0.3503   10.920   0.5049   11.600   0.4856 -0.6872000 0.7005000 
1 1 1   29    1   13 o   7.2350   0.4471   6.6140   0.6769   7.8570   0.5844 -1.243000 0.8942000 
1 1 1   29    1   14 o   18.660   0.2325   18.170   0.3323   19.150   0.3252 -0.9850000 0.4649000 
1 1 1   29    1   15 o   8.3370   0.4068   7.6250   0.6245   9.0480   0.5215 -1.423000 0.8136000 
1 1 1   29    1   16 o   12.190   0.2987   12.940   0.4019   11.440   0.4420 1.495000 0.5974000 
1 1 1   29    1   17 f   3.8370   1.0160   3.0800   1.3610   4.5940   1.5090 -1.514000 2.032000 
1 1 1   29    1   18 o   11.830   0.3120   11.480   0.4521   12.180   0.4301 -0.7073000 0.6240000 
1 1 1   29    1   19 o   3.1210   0.7922   2.7110   1.0960   3.5320   1.1440 -0.8212000 1.584000 
1 1 1   29    1   20 o   4.6270   0.6914   3.1740   1.1340   6.0790   0.7906 -2.904000 1.383000 
1 1 1   29    1   21 o   4.7550   0.7167   5.0990   0.9505   4.4110   1.0730 0.6878000 1.433000 
1 1 1   29    1   22 o   3.4450   0.7480   4.4550   1.0680   2.4360   1.0480 2.020000 1.496000 
1 1 1   29    1   23 o   2.9520   0.7909   2.9810   1.1250   2.9220   1.1120 0.5932000E-01 1.582000 
1 1 1   29    1   24 o   6.2320   0.6703   6.1810   0.9490   6.2830   0.9468 -0.1018000 1.341000 
1 1 1   29    1   25 o   2.4990   0.7404   2.1010   0.9694   2.8960   1.1190 -0.7946000 1.481000 
1 1 1   29    1   26 o   2.3980   0.7121   3.1240   1.1630   1.6710   0.8223 1.453000 1.424000 
1 1 1   29    1   27 o   3.0840   0.8201   2.7100   1.1230   3.4570   1.1950 -0.7475000 1.640000 
1 1 1   29    1   28 f   1.9630   0.6991   1.9710   0.9925   1.9550   0.9849 0.1589000E-01 1.398000 
1 1 1   29    3    0 o   45.810   0.2714   46.260   0.3872   45.360   0.3803 0.8994000 0.5427000 
1 1 1   29    3    1 o   15.600   0.1459   15.780   0.2076   15.410   0.2050 0.3705000 0.2917000 
1 1 1   29    3    2 o   28.690   0.2291   28.870   0.3319   28.520   0.3159 0.3539000 0.4582000 
1 1 1   29    3    3 o   17.660   0.1753   17.270   0.2350   18.050   0.2601 -0.7794000 0.3505000 
1 1 1   29    3    4 o   15.170   0.3117   14.870   0.5469   15.470   0.2991 -0.5936000 0.6234000 
1 1 1   29    3    5 o   12.050   0.3100   12.710   0.5528   11.380   0.2808 1.326000 0.6201000 
1 1 1   29    3    6 o   9.3980   0.4015   9.6810   0.7205   9.1150   0.3545 0.5661000 0.8030000 
1 1 1   29    3    7 o   41.330   0.2594   41.240   0.3676   41.420   0.3663 -0.1754000 0.5189000 
1 1 1   29    3    8 o   32.330   0.2219   32.400   0.3152   32.260   0.3124 0.1435000 0.4438000 
1 1 1   29    3    9 o   15.460   0.2158   15.210   0.3075   15.720   0.3028 -0.5052000 0.4315000 
1 1 1   29    3   10 o   21.060   0.2062   21.070   0.2929   21.060   0.2902 0.7221000E-02 0.4123000 
1 1 1   29    3   11 o   18.880   0.2372   18.690   0.3650   19.080   0.3029 -0.3900000 0.4744000 
1 1 1   29    3   12 o   12.940   0.3217   12.910   0.4509   12.960   0.4590 -0.5146000E-01 0.6434000 
1 1 1   29    3   13 o   10.530   0.2983   10.680   0.3884   10.380   0.4528 0.2955000 0.5966000 
1 1 1   29    3   14 o   3.8100   0.7413   3.5240   1.0180   4.0960   1.0780 -0.5720000 1.483000 
1 1 1   29    3   15 o   16.050   0.2328   16.370   0.3016   15.740   0.3548 0.6381000 0.4657000 
1 1 1   29    3   16 o   4.8540   0.7494   5.1010   0.9355   4.6070   1.1710 0.4937000 1.499000 
1 1 1   29    3   17 o   3.7340   0.8380   4.1670   1.1170   3.3000   1.2490 0.8674000 1.676000 
1 1 1   29    3   18 o   12.010   0.2921   12.280   0.3713   11.740   0.4510 0.5358000 0.5841000 
1 1 1   29    3   19 o   2.3920   0.7200   2.4160   1.0040   2.3670   1.0320 0.4918000E-01 1.440000 
1 1 1   29    3   20 o   5.3750   0.6146   4.2920   0.9750   6.4590   0.7485 -2.166000 1.229000 
1 1 1   29    3   21 o   2.5320   0.7202   2.9840   1.0760   2.0800   0.9579 0.9042000 1.440000 
1 1 1   29    3   22 o   2.7140   0.7437   2.2230   0.9711   3.2060   1.1270 -0.9824000 1.487000 
1 1 1   29    3   23 o   3.5610   0.7933   4.1540   1.1190   2.9680   1.1240 1.186000 1.587000 
1 1 1   29    3   24 o   2.7070   0.8155   2.8270   1.1760   2.5860   1.1300 0.2404000 1.631000 
1 1 1   29    3   25 o   3.5010   0.7897   2.8450   1.1200   4.1570   1.1140 -1.313000 1.579000 
1 1 1   29    3   26 o   2.1410   0.6940   1.9770   0.9323   2.3050   1.0280 -0.3275000 1.388000 
1 1 1   29    3   27 o   2.9130   0.7367   1.8960   0.9050   3.9290   1.1630 -2.033000 1.473000 
1 1 1   29    3   28 o   2.1190   0.7467   1.8230   0.9292   2.4140   1.1690 -0.5911000 1.493000 
1 1 1   29    5    0 o   5.8590   0.2668   6.1780   0.3457   5.5400   0.4066 0.6384000 0.5337000 
1 1 1   29    5    1 o   16.150   0.1634   16.060   0.2157   16.240   0.2455 -0.1760000 0.3268000 
1 1 1   29    5    2 o   26.020   0.1975   26.310   0.3019   25.730   0.2546 0.5726000 0.3949000 
1 1 1   29    5    3 o   29.630   0.2227   29.430   0.2793   29.840   0.3469 -0.4121000 0.4454000 
1 1 1   29    5    4 f   30.440   0.2522   30.390   0.3576   30.480   0.3557 -0.8306000E-01 0.5043000 
1 1 1   29    5    5 o   13.620   0.2067   13.490   0.3150   13.750   0.2678 -0.2592000 0.4134000 
1 1 1   29    5    6 o   12.950   0.3807   13.010   0.7061   12.890   0.2852 0.1159000 0.7615000 
1 1 1   29    5    7 o   28.940   0.3229   28.590   0.5743   29.280   0.2953 -0.6918000 0.6458000 
1 1 1   29    5    8 o   37.650   0.3622   37.070   0.6334   38.230   0.3514 -1.164000 0.7243000 
1 1 1   29    5    9 o   21.510   0.2087   20.380   0.3024   22.640   0.2878 -2.265000 0.4175000 
1 1 1   29    5   10 o   6.5220   0.4719   7.5010   0.5796   5.5430   0.7448 1.958000 0.9437000 
1 1 1   29    5   11 o   5.7590   0.5932   5.2720   0.9676   6.2470   0.6866 -0.9749000 1.186000 
1 1 1   29    5   12 o   19.430   0.2831   19.390   0.4086   19.480   0.3919 -0.8584000E-01 0.5662000 
1 1 1   29    5   13 o   8.8620   0.3682   9.1060   0.5095   8.6180   0.5317 0.4884000 0.7364000 
1 1 1   29    5   14 o   10.770   0.3225   11.270   0.4412   10.270   0.4705 0.9931000 0.6450000 
1 1 1   29    5   15 o   3.2180   0.7721   2.6730   1.0810   3.7630   1.1020 -1.090000 1.544000 
1 1 1   29    5   16 o   6.5520   0.5539   6.5970   0.7224   6.5070   0.8398 0.8989000E-01 1.108000 
1 1 1   29    5   17 o   2.6890   0.7930   2.8490   1.1160   2.5290   1.1270 0.3207000 1.586000 
1 1 1   29    5   18 o   8.3750   0.3877   8.6750   0.4839   8.0750   0.6058 0.5997000 0.7753000 
1 1 1   29    5   19 o   3.9560   0.7511   3.4050   1.0680   4.5070   1.0560 -1.102000 1.502000 
1 1 1   29    5   20 o   2.8830   0.7511   3.2460   1.0710   2.5200   1.0540 0.7267000 1.502000 
1 1 1   29    5   21 o   4.1320   0.7177   4.8140   0.8919   3.4500   1.1250 1.364000 1.435000 
1 1 1   29    5   22 o   2.9090   0.7585   2.4640   1.0210   3.3540   1.1220 -0.8898000 1.517000 
1 1 1   29    5   23 o   2.6440   0.7497   2.7780   1.0680   2.5090   1.0530 0.2695000 1.499000 
1 1 1   29    5   24 f   2.6810   0.8137   2.4110   1.0950   2.9500   1.2040 -0.5388000 1.627000 
1 1 1   29    5   25 o   3.8970   0.7802   3.7100   1.0920   4.0830   1.1150 -0.3730000 1.560000 
1 1 1   29    5   26 o   2.2810   0.7143   2.0500   0.9413   2.5120   1.0750 -0.4622000 1.429000 
1 1 1   29    5   27 o   2.8200   0.7470   3.4860   1.1200   2.1540   0.9889 1.332000 1.494000 
1 1 1   29    5   28 o   2.0810   0.7274   1.9830   0.9795   2.1800   1.0760 -0.1969000 1.455000 
1 1 1   29    7    0 o   50.300   0.2811   50.280   0.4240   50.320   0.3692 -0.3942000E-01 0.5622000 
1 1 1   29    7    1 o   22.160   0.2074   21.480   0.2792   22.840   0.3066 -1.354000 0.4147000 
1 1 1   29    7    2 o   27.330   0.2380   26.810   0.3340   27.860   0.3392 -1.045000 0.4760000 
1 1 1   29    7    3 o   23.050   0.2279   23.000   0.3209   23.110   0.3236 -0.1153000 0.4558000 
1 1 1   29    7    4 o   32.560   0.2179   32.900   0.3104   32.210   0.3061 0.6892000 0.4359000 
1 1 1   29    7    5 f   8.2550   0.2837   8.0250   0.4164   8.4850   0.3853 -0.4600000 0.5673000 
1 1 1   29    7    6 o   10.530   0.2485   10.450   0.3560   10.610   0.3469 -0.1606000 0.4970000 
1 1 1   29    7    7 o   23.020   0.2005   22.420   0.2856   23.610   0.2815 -1.187000 0.4010000 
1 1 1   29    7    8 o   11.970   0.2610   11.660   0.3874   12.280   0.3499 -0.6178000 0.5220000 
1 1 1   29    7    9 o   8.6570   0.4792  ?   ?    8.6570   0.4792      ?      ? 
1 1 1   29    7   10 o   12.580   0.3732  ?   ?    12.580   0.3732      ?      ? 
1 1 1   29    7   11 o   9.9850   0.8110   7.6540   1.5440   12.320   0.4969 -4.661000 1.622000 
1 1 1   29    7   12 o   4.3700   0.8263   4.6290   1.2610   4.1120   1.0680 0.5165000 1.653000 
1 1 1   29    7   13 o   18.820   0.2337   18.660   0.3351   18.980   0.3258 -0.3206000 0.4674000 
1 1 1   29    7   14 o   15.760   0.2533   15.550   0.3644   15.970   0.3518 -0.4167000 0.5065000 
1 1 1   29    7   15 o   5.9670   0.6022   5.4930   0.8624   6.4410   0.8407 -0.9474000 1.204000 
1 1 1   29    7   16 o   9.3120   0.4732   9.1860   0.6916   9.4380   0.6461 -0.2517000 0.9464000 
1 1 1   29    7   17 o   6.9880   0.4966   7.6590   0.6476   6.3170   0.7529 1.342000 0.9932000 
1 1 1   29    7   18 o   2.3930   0.7190   2.8510   1.1120   1.9360   0.9114 0.9144000 1.438000 
1 1 1   29    7   19 o   6.2990   0.5383   6.4600   0.7438   6.1380   0.7784 0.3222000 1.077000 
1 1 1   29    7   20 o   2.7720   0.7726   2.4750   1.0590   3.0690   1.1260 -0.5944000 1.545000 
1 1 1   29    7   21 f   4.6270   0.6861   4.8250   0.9007   4.4280   1.0350 0.3969000 1.372000 
1 1 1   29    7   22 o   2.6520   0.7508   2.7670   1.0670   2.5370   1.0570 0.2301000 1.502000 
1 1 1   29    7   23 o   4.8860   0.7123   5.0700   1.0040   4.7010   1.0110 0.3686000 1.425000 
1 1 1   29    7   24 o   3.4380   0.6965   4.9520   1.0320   1.9250   0.9351 3.028000 1.393000 
1 1 1   29    7   25 o   2.8130   0.7758   2.4760   1.0430   3.1500   1.1480 -0.6744000 1.552000 
1 1 1   29    7   26 o   2.4110   0.7250   2.7120   1.0780   2.1110   0.9694 0.6009000 1.450000 
1 1 1   29    7   27 o   1.9510   0.6671   1.7020   0.8405   2.2010   1.0360 -0.4991000 1.334000 
1 1 1   29    9    0 f   27.490   0.2244   27.830   0.3460   27.160   0.2858 0.6658000 0.4487000 
1 1 1   29    9    1 o   3.6430   0.6679   3.3310   1.0500   3.9540   0.8262 -0.6231000 1.336000 
1 1 1   29    9    2 o   24.210   0.1795   24.150   0.2691   24.280   0.2376 -0.1350000 0.3590000 
1 1 1   29    9    3 o   25.010   0.1959   24.800   0.2757   25.230   0.2783 -0.4261000 0.3917000 
1 1 1   29    9    4 o   20.550   0.1939   20.190   0.2727   20.910   0.2759 -0.7193000 0.3879000 
1 1 1   29    9    5 o   21.710   0.1978   21.500   0.2766   21.930   0.2830 -0.4242000 0.3957000 
1 1 1   29    9    6 o   24.930   0.2065   25.050   0.2940   24.820   0.2901 0.2239000 0.4131000 
1 1 1   29    9    7 o   4.0980   0.6762   3.3960   1.0610   4.8010   0.8385 -1.405000 1.352000 
1 1 1   29    9    8 o   14.630   0.2592   14.350   0.3965   14.920   0.3340 -0.5741000 0.5185000 
1 1 1   29    9    9 o   4.7010   0.6605   4.5370   0.9833   4.8640   0.8820 -0.3273000 1.321000 
1 1 1   29    9   10 o   5.1140   0.7760   4.5060   1.1920   5.7230   0.9941 -1.218000 1.552000 
1 1 1   29    9   11 o   15.940   0.3201   15.230   0.4735   16.650   0.4309 -1.417000 0.6402000 
1 1 1   29    9   12 o   4.2290   0.9961   5.6910   1.6680   2.7670   1.0890 2.924000 1.992000 
1 1 1   29    9   13 o   6.0310   0.9812   6.4120   1.7770   5.6510   0.8333 0.7604000 1.962000 
1 1 1   29    9   14 o   13.510   0.5340   13.330   0.9691   13.690   0.4487 -0.3678000 1.068000 
1 1 1   29    9   15 o   5.4720   0.8234   4.4620   1.3600   6.4820   0.9292 -2.020000 1.647000 
1 1 1   29    9   16 o   5.4690   0.6651   6.4970   0.8030   4.4410   1.0600 2.056000 1.330000 
1 1 1   29    9   17 o   3.7280   0.7761   4.5320   1.0820   2.9230   1.1130 1.609000 1.552000 
1 1 1   29    9   18 o   2.8440   0.7233   3.8020   1.1370   1.8860   0.8937 1.916000 1.447000 
1 1 1   29    9   19 o   2.4270   0.7378   2.4610   1.0560   2.3930   1.0310 0.6888000E-01 1.476000 
1 1 1   29    9   20 o   3.4090   0.8001   3.0900   1.1450   3.7280   1.1180 -0.6371000 1.600000 
1 1 1   29    9   21 f   2.3180   0.7171   2.5710   1.0790   2.0650   0.9446 0.5067000 1.434000 
1 1 1   29    9   22 o   2.4700   0.7632   2.7730   1.1770   2.1670   0.9719 0.6067000 1.526000 
1 1 1   29    9   23 o   2.1430   0.7188   2.1410   1.0170   2.1450   1.0160 -0.3922000E-02 1.438000 
1 1 1   29    9   24 o   3.0560   0.7365   2.0910   0.9532   4.0210   1.1230 -1.931000 1.473000 
1 1 1   29    9   25 o   2.2010   0.6995   2.0040   0.9336   2.3980   1.0420 -0.3943000 1.399000 
1 1 1   29    9   26 o   2.8780   0.8375   2.5380   1.0960   3.2180   1.2660 -0.6808000 1.675000 
1 1 1   29    9   27 o   2.0450   0.6952   1.6430   0.8229   2.4480   1.1210 -0.8052000 1.390000 
1 1 1   29   11    0 o   53.240   0.3021   53.040   0.4547   53.440   0.3980 -0.4064000 0.6043000 
1 1 1   29   11    1 o   32.100   0.2093   32.250   0.3154   31.940   0.2753 0.3187000 0.4186000 
1 1 1   29   11    2 o   33.150   0.2144   32.790   0.3208   33.510   0.2844 -0.7157000 0.4287000 
1 1 1   29   11    3 o   30.560   0.2081   30.500   0.3128   30.630   0.2746 -0.1383000 0.4162000 
1 1 1   29   11    4 o   23.690   0.2243   24.150   0.2931   23.240   0.3397 0.9108000 0.4487000 
1 1 1   29   11    5 o   10.450   0.3167   10.170   0.4846   10.730   0.4080 -0.5599000 0.6335000 
1 1 1   29   11    6 o   11.040   0.3131   11.570   0.4467   10.500   0.4388 1.069000 0.6262000 
1 1 1   29   11    7 o   11.840   0.2808   12.060   0.3936   11.630   0.4007 0.4310000 0.5616000 
1 1 1   29   11    8 o   14.830   0.2460   14.680   0.3536   14.980   0.3421 -0.3063000 0.4920000 
1 1 1   29   11    9 f   12.780   0.3548   12.120   0.5164   13.430   0.4868 -1.308000 0.7097000 
1 1 1   29   11   10 o   4.7410   0.6693   5.7650   0.7884   3.7180   1.0820 2.048000 1.339000 
1 1 1   29   11   11 o   4.4490   0.7213   4.3480   1.0470   4.5500   0.9928 -0.2016000 1.443000 
1 1 1   29   11   12 o   26.370   0.2532   26.360   0.3312   26.380   0.3832 -0.1573000E-01 0.5065000 
1 1 1   29   11   13 o   3.3830   0.7922   2.8680   1.1190   3.8980   1.1220 -1.030000 1.584000 
1 1 1   29   11   14 o   3.0200   0.8675   3.3960   1.3080   2.6440   1.1400 0.7526000 1.735000 
1 1 1   29   11   15 o   7.0710   0.8730   7.0460   1.5390   7.0960   0.8244 -0.4979000E-01 1.746000 
1 1 1   29   11   16 o   5.7130   0.9782   6.8860   1.6740   4.5390   1.0120 2.347000 1.956000 
1 1 1   29   11   17 o   2.7970   0.9136   3.3910   1.5410   2.2030   0.9816 1.187000 1.827000 
1 1 1   29   11   18 f   4.0770   0.7916   3.5970   1.2170   4.5580   1.0130 -0.9618000 1.583000 
1 1 1   29   11   19 o   2.4240   0.7375   2.2110   1.0100   2.6380   1.0750 -0.4261000 1.475000 
1 1 1   29   11   20 o   2.6610   0.7747   3.0000   1.1680   2.3210   1.0180 0.6783000 1.549000 
1 1 1   29   11   21 o   2.5350   0.7732   2.5910   1.1420   2.4780   1.0430 0.1134000 1.546000 
1 1 1   29   11   22 o   2.6140   0.8143   2.2040   1.0550   3.0250   1.2410 -0.8211000 1.629000 
1 1 1   29   11   23 o   3.9110   0.8188   3.1880   1.2630   4.6330   1.0430 -1.445000 1.638000 
1 1 1   29   11   24 o   5.2270   0.7268   5.8050   0.9789   4.6490   1.0750 1.156000 1.454000 
1 1 1   29   11   25 o   1.8800   0.6419   2.1030   0.9897   1.6580   0.8177 0.4443000 1.284000 
1 1 1   29   11   26 o   2.1450   0.7174   1.9240   0.9247   2.3670   1.0970 -0.4430000 1.435000 
1 1 1   29   13    0 o   31.670   0.2488   31.810   0.3804   31.530   0.3206 0.2839000 0.4975000 
1 1 1   29   13    1 o   30.210   0.2446   30.230   0.3740   30.190   0.3154 0.4258000E-01 0.4892000 
1 1 1   29   13    2 o   7.8470   0.4015   7.2810   0.6399   8.4130   0.4851 -1.132000 0.8030000 
1 1 1   29   13    3 o   4.1480   0.6565   4.1230   0.9752   4.1740   0.8792 -0.5076000E-01 1.313000 
1 1 1   29   13    4 o   10.120   0.3020   9.8700   0.4532   10.360   0.3993 -0.4921000 0.6040000 
1 1 1   29   13    5 o   20.680   0.2213   20.520   0.3132   20.850   0.3127 -0.3306000 0.4426000 
1 1 1   29   13    6 o   13.750   0.2585   13.050   0.3800   14.440   0.3504 -1.396000 0.5169000 
1 1 1   29   13    7 o   3.1010   0.8631   2.8150   1.1690   3.3870   1.2700 -0.5721000 1.726000 
1 1 1   29   13    8 o   12.640   0.3721   12.700   0.5046   12.580   0.5468 0.1126000 0.7441000 
1 1 1   29   13    9 o   21.270   0.2307   21.070   0.3287   21.460   0.3237 -0.3886000 0.4613000 
1 1 1   29   13   10 o   3.0150   0.8122   2.8200   1.1050   3.2100   1.1900 -0.3901000 1.624000 
1 1 1   29   13   11 o   15.170   0.2629   14.740   0.3763   15.590   0.3671 -0.8531000 0.5257000 
1 1 1   29   13   12 o   6.4730   0.5247   6.0130   0.7984   6.9340   0.6809 -0.9213000 1.049000 
1 1 1   29   13   13 o   5.4450   0.7813   5.2960   1.1530   5.5940   1.0550 -0.2983000 1.563000 
1 1 1   29   13   14 o   2.6070   0.7467   3.0220   1.1250   2.1910   0.9820 0.8309000 1.493000 
1 1 1   29   13   15 o   6.4500   0.5377   5.8170   0.8542   7.0830   0.6534 -1.265000 1.075000 
1 1 1   29   13   16 o   3.4610   0.7718   2.8460   1.1240   4.0760   1.0580 -1.230000 1.544000 
1 1 1   29   13   17 o   7.3990   0.4831   6.8990   0.7539   7.8990   0.6041 -0.9998000 0.9661000 
1 1 1   29   13   18 o   3.3000   0.9667   3.7720   1.5890   2.8270   1.1020 0.9442000 1.933000 
1 1 1   29   13   19 o   2.4660   0.8030   2.5410   1.2340   2.3910   1.0280 0.1499000 1.606000 
1 1 1   29   13   20 o   1.9790   0.9228  ?   ?    1.9790   0.9228      ?      ? 
1 1 1   29   13   21 o   3.4380   1.0030   3.2040   1.5050   3.6720   1.3250 -0.4685000 2.005000 
1 1 1   29   13   22 o   4.9620   0.8136   4.2710   1.3620   5.6530   0.8909 -1.381000 1.627000 
1 1 1   29   13   23 o   2.8870   0.8035   3.4110   1.2210   2.3630   1.0450 1.048000 1.607000 
1 1 1   29   13   24 o   2.3580   0.7564   2.4550   1.0890   2.2600   1.0500 0.1949000 1.513000 
1 1 1   29   13   25 f   2.3310   0.7495   2.5800   1.1190   2.0820   0.9969 0.4981000 1.499000 
1 1 1   29   15    0 o   3.0760   0.6711   4.1080   0.9986   2.0450   0.8968 2.063000 1.342000 
1 1 1   29   15    1 o   11.500   0.2665   11.470   0.3986   11.530   0.3538 -0.6047000E-01 0.5329000 
1 1 1   29   15    2 o   17.120   0.2136   17.150   0.3233   17.090   0.2793 0.6050000E-01 0.4272000 
1 1 1   29   15    3 o   6.9310   0.4217   6.6670   0.6543   7.1940   0.5321 -0.5273000 0.8434000 
1 1 1   29   15    4 o   7.9120   0.4060   7.6390   0.5590   8.1860   0.5890 -0.5479000 0.8120000 
1 1 1   29   15    5 f   9.7950   0.4081   10.250   0.5868   9.3380   0.5673 0.9130000 0.8162000 
1 1 1   29   15    6 o   10.580   0.3054   10.700   0.4464   10.450   0.4168 0.2420000 0.6107000 
1 1 1   29   15    7 o   4.3320   0.7763   3.8480   1.0870   4.8150   1.1080 -0.9670000 1.553000 
1 1 1   29   15    8 o   6.1510   0.5751   5.9010   0.7851   6.4020   0.8406 -0.5016000 1.150000 
1 1 1   29   15    9 o   6.0050   0.5725   5.5010   0.8649   6.5090   0.7503 -1.008000 1.145000 
1 1 1   29   15   10 f   11.810   0.3171   11.950   0.4360   11.670   0.4606 0.2825000 0.6343000 
1 1 1   29   15   11 o   2.3780   0.7550   2.9550   1.2240   1.8020   0.8837 1.153000 1.510000 
1 1 1   29   15   12 o   2.9240   0.8505   2.9200   1.2110   2.9280   1.1950 -0.7215000E-02 1.701000 
1 1 1   29   15   13 o   2.7460   0.7691   2.9910   1.1270   2.5010   1.0470 0.4902000 1.538000 
1 1 1   29   15   14 o   11.310   0.3238   11.040   0.4740   11.580   0.4411 -0.5353000 0.6476000 
1 1 1   29   15   15 o   3.0620   0.7613   2.3880   1.0420   3.7360   1.1100 -1.348000 1.523000 
1 1 1   29   15   16 o   7.9120   0.4468   8.1030   0.6391   7.7200   0.6246 0.3829000 0.8936000 
1 1 1   29   15   17 o   4.4500   0.7565   4.4670   1.0960   4.4330   1.0430 0.3361000E-01 1.513000 
1 1 1   29   15   18 o   2.5070   0.7665   2.6800   1.1480   2.3340   1.0160 0.3467000 1.533000 
1 1 1   29   15   19 o   3.0640   0.7798   2.3420   1.0690   3.7850   1.1360 -1.444000 1.560000 
1 1 1   29   15   20 o   2.8730   0.8569   3.2530   1.2910   2.4930   1.1280 0.7606000 1.714000 
1 1 1   29   15   21 o   2.4400   0.7752   2.5990   1.1710   2.2810   1.0160 0.3178000 1.550000 
1 1 1   29   15   22 o   2.4780   0.7624   2.0170   1.0220   2.9400   1.1320 -0.9228000 1.525000 
1 1 1   29   15   23 f   2.4810   0.8310   2.5570   1.2520   2.4060   1.0930 0.1505000 1.662000 
1 1 1   29   15   24 o   2.6040   0.7988   2.1430   1.0780   3.0640   1.1790 -0.9211000 1.598000 
1 1 1   29   17    0 o   19.460   0.2605   19.210   0.3959   19.710   0.3387 -0.5001000 0.5210000 
1 1 1   29   17    1 o   12.100   0.3354   12.600   0.4922   11.610   0.4557 0.9899000 0.6708000 
1 1 1   29   17    2 o   9.0120   0.4587   8.7060   0.6548   9.3190   0.6426 -0.6126000 0.9174000 
1 1 1   29   17    3 o   7.4690   0.4417   8.4640   0.5304   6.4740   0.7065 1.991000 0.8834000 
1 1 1   29   17    4 f   4.8160   0.6616   4.5730   0.9948   5.0580   0.8724 -0.4849000 1.323000 
1 1 1   29   17    5 o   5.7530   0.5649   5.0040   0.9426   6.5020   0.6228 -1.498000 1.130000 
1 1 1   29   17    6 o   16.120   0.2386   16.170   0.3553   16.070   0.3184 0.9059000E-01 0.4771000 
1 1 1   29   17    7 o   2.1380   0.6734   1.9430   0.9100   2.3330   0.9930 -0.3899000 1.347000 
1 1 1   29   17    8 o   6.5960   0.5270   5.9290   0.8109   7.2630   0.6735 -1.335000 1.054000 
1 1 1   29   17    9 o   14.170   0.3470   14.480   0.4999   13.860   0.4815 0.6213000 0.6941000 
1 1 1   29   17   10 o   3.6750   0.8807   4.4210   1.2740   2.9280   1.2170 1.493000 1.761000 
1 1 1   29   17   11 o   6.5210   0.5303   6.2930   0.7663   6.7490   0.7332 -0.4565000 1.061000 
1 1 1   29   17   12 o   6.0010   0.5686   6.0780   0.7813   5.9250   0.8264 0.1525000 1.137000 
1 1 1   29   17   13 o   2.4870   0.7357   2.1510   0.9788   2.8230   1.0990 -0.6727000 1.471000 
1 1 1   29   17   14 o   2.4040   0.7324   2.6780   1.1030   2.1300   0.9635 0.5480000 1.465000 
1 1 1   29   17   15 o   4.3680   0.7419   3.6140   1.1700   5.1210   0.9132 -1.507000 1.484000 
1 1 1   29   17   16 o   3.4180   0.8201   3.0040   1.2080   3.8320   1.1090 -0.8277000 1.640000 
1 1 1   29   17   17 o   3.2170   0.8112   4.1010   1.2600   2.3330   1.0220 1.768000 1.622000 
1 1 1   29   17   18 o   2.7940   0.7914   2.7290   1.1260   2.8590   1.1130 -0.1294000 1.583000 
1 1 1   29   17   19 o   5.3570   0.8391   3.9380   1.3700   6.7770   0.9694 -2.839000 1.678000 
1 1 1   29   17   20 o   3.4610   0.8419   3.5840   1.2170   3.3380   1.1630 0.2458000 1.684000 
1 1 1   29   17   21 f   2.7850   0.8031   2.8960   1.1690   2.6730   1.1020 0.2232000 1.606000 
1 1 1   29   17   22 o   1.8240   0.6311   1.8210   0.8883   1.8260   0.8966 -0.4702000E-02 1.262000 
1 1 1   29   19    0 f   9.8560   0.3280   9.6100   0.5003   10.100   0.4244 -0.4923000 0.6561000 
1 1 1   29   19    1 o   2.7770   0.6831   1.9750   0.9107   3.5790   1.0180 -1.604000 1.366000 
1 1 1   29   19    2 o   7.6630   0.3988   8.0420   0.5651   7.2840   0.5628 0.7576000 0.7975000 
1 1 1   29   19    3 o   6.4990   0.4687   6.4920   0.6965   6.5060   0.6275 -0.1354000E-01 0.9374000 
1 1 1   29   19    4 o   2.7410   0.7471   2.6540   1.0710   2.8280   1.0420 -0.1742000 1.494000 
1 1 1   29   19    5 o   7.9670   0.4011   7.3090   0.6424   8.6240   0.4803 -1.316000 0.8021000 
1 1 1   29   19    6 o   9.4610   0.4463   8.9340   0.7231   9.9890   0.5234 -1.054000 0.8927000 
1 1 1   29   19    7 o   11.640   0.3730   11.640   0.5853   11.630   0.4625 0.1227000E-01 0.7460000 
1 1 1   29   19    8 o   4.7270   0.6682   4.8110   0.9872   4.6430   0.9008 0.1687000 1.336000 
1 1 1   29   19    9 o   6.3560   0.5191   6.0320   0.8147   6.6800   0.6436 -0.6480000 1.038000 
1 1 1   29   19   10 o   9.1400   0.3859   9.0420   0.5554   9.2390   0.5360 -0.1972000 0.7718000 
1 1 1   29   19   11 o   4.1900   0.7376   2.9930   1.1470   5.3860   0.9275 -2.393000 1.475000 
1 1 1   29   19   12 o   2.8890   0.8014   2.7030   1.1090   3.0760   1.1580 -0.3731000 1.603000 
1 1 1   29   19   13 o   5.3620   0.6645   5.1660   0.9823   5.5590   0.8951 -0.3930000 1.329000 
1 1 1   29   19   14 o   3.8400   0.7217   5.5230   1.0610   2.1570   0.9791 3.366000 1.443000 
1 1 1   29   19   15 o   3.5440   0.7841   4.4050   1.1380   2.6840   1.0790 1.720000 1.568000 
1 1 1   29   19   16 o   1.9600   0.6543   1.9290   0.9224   1.9900   0.9282 -0.6101000E-01 1.309000 
1 1 1   29   19   17 o   3.6090   0.9037   4.4380   1.3420   2.7800   1.2110 1.658000 1.807000 
1 1 1   29   19   18 o   3.4400   0.7973   2.5210   1.1470   4.3600   1.1080 -1.839000 1.595000 
1 1 1   29   19   19 o   1.9600   0.6582   1.9220   0.9256   1.9990   0.9361 -0.7665000E-01 1.316000 
1 1 1   29   19   20 o   2.6160   0.7970   2.3780   1.0640   2.8550   1.1870 -0.4767000 1.594000 
1 1 1   29   19   21 o   2.3670   1.1240   2.3670   1.1240  ?   ?       ?      ? 
1 1 1   29   21    0 o   7.0950   0.4481   7.1920   0.6756   6.9980   0.5887 0.1947000 0.8962000 
1 1 1   29   21    1 o   14.390   0.3131   14.410   0.4867   14.380   0.3939 0.2283000E-01 0.6261000 
1 1 1   29   21    2 o   6.2860   0.6326   5.5930   1.0570   6.9780   0.6954 -1.385000 1.265000 
1 1 1   29   21    3 f   7.2490   0.5701   6.2410   0.9688   8.2560   0.6013 -2.015000 1.140000 
1 1 1   29   21    4 o   4.3140   0.7130   3.9200   1.1060   4.7080   0.8997 -0.7878000 1.426000 
1 1 1   29   21    5 o   4.1310   0.6986   3.1010   1.1320   5.1620   0.8190 -2.061000 1.397000 
1 1 1   29   21    6 o   2.1690   0.6812   2.0670   0.9511   2.2710   0.9755 -0.2045000 1.362000 
1 1 1   29   21    7 o   6.9430   0.4744   6.4210   0.7645   7.4650   0.5617 -1.043000 0.9487000 
1 1 1   29   21    8 o   3.8580   0.7644   4.1370   1.0970   3.5780   1.0650 0.5586000 1.529000 
1 1 1   29   21    9 o   5.1960   0.6542   4.1480   1.1100   6.2440   0.6922 -2.096000 1.308000 
1 1 1   29   21   10 o   7.2990   0.4598   6.8350   0.7260   7.7620   0.5644 -0.9277000 0.9195000 
1 1 1   29   21   11 o   7.5130   0.5204   7.1600   0.8196   7.8660   0.6416 -0.7059000 1.041000 
1 1 1   29   21   12 o   4.8520   0.7860   4.5510   1.2120   5.1520   1.0010 -0.6012000 1.572000 
1 1 1   29   21   13 o   2.4950   0.7548   2.8730   1.1410   2.1180   0.9881 0.7548000 1.510000 
1 1 1   29   21   14 o   3.1590   0.8355   3.0110   1.1630   3.3080   1.2000 -0.2974000 1.671000 
1 1 1   29   21   15 o   1.9820   0.6825   2.0910   1.0050   1.8730   0.9232 0.2187000 1.365000 
1 1 1   29   21   16 o   2.0330   0.6897   2.2260   1.0560   1.8410   0.8870 0.3853000 1.379000 
1 1 1   29   21   17 o   2.7040   0.7521   1.9640   0.9365   3.4440   1.1770 -1.480000 1.504000 
1 1 1   29   21   18 o   2.1960   0.7202   2.0640   0.9686   2.3280   1.0660 -0.2640000 1.440000 
1 1 1   29   23    0 o   3.5070   0.7506   2.3970   1.0460   4.6180   1.0770 -2.220000 1.501000 
1 1 1   29   23    1 o   2.9240   0.7750   3.1160   1.1470   2.7330   1.0430 0.3824000 1.550000 
1 1 1   29   23    2 o   4.6020   0.6806   4.0540   1.0920   5.1500   0.8123 -1.096000 1.361000 
1 1 1   29   23    3 o   4.7520   0.6700   4.5170   1.0500   4.9870   0.8321 -0.4696000 1.340000 
1 1 1   29   23    4 o   6.9310   0.4689   6.5010   0.7424   7.3610   0.5729 -0.8603000 0.9378000 
1 1 1   29   23    5 o   5.1640   0.6541   4.0980   1.1180   6.2300   0.6799 -2.132000 1.308000 
1 1 1   29   23    6 o   3.5890   0.7817   2.8050   1.1630   4.3730   1.0450 -1.568000 1.563000 
1 1 1   29   23    7 o   3.0320   0.8227   3.0510   1.1980   3.0140   1.1280 0.3634000E-01 1.645000 
1 1 1   29   23    8 o   3.1280   0.8261   3.0070   1.1930   3.2490   1.1430 -0.2417000 1.652000 
1 1 1   29   23    9 o   5.5410   0.6097   5.1070   0.9827   5.9740   0.7221 -0.8673000 1.219000 
1 1 1   29   23   10 o   4.2810   0.7401   3.6790   1.1750   4.8820   0.9000 -1.203000 1.480000 
1 1 1   29   23   11 o   2.3510   0.7223   2.4760   1.0670   2.2260   0.9738 0.2503000 1.445000 
1 1 1   29   23   12 o   3.9980   0.8006   4.9500   1.0690   3.0460   1.1920 1.904000 1.601000 
1 1 1   29   23   13 o   2.2650   0.7455   1.9810   0.9653   2.5500   1.1360 -0.5695000 1.491000 
1 1 1   29   23   14 o   3.6600   0.8207   4.5290   1.1490   2.7920   1.1720 1.736000 1.641000 
1 1 1   29   23   15 o   2.4270   0.7712   2.0970   0.9808   2.7560   1.1900 -0.6597000 1.542000 
1 1 1   29   23   16 o   2.1370   0.7007   2.0280   0.9569   2.2460   1.0240 -0.2179000 1.401000 
1 1 1   29   25    0 o   3.3280   0.8492   3.6910   1.2680   2.9660   1.1300 0.7247000 1.698000 
1 1 1   29   25    1 o   4.0660   1.0220   3.6310   1.2870   4.5010   1.5880 -0.8692000 2.044000 
1 1 1   29   25    2 f   5.5190   0.7543   5.8110   0.8617   5.2270   1.2380 0.5840000 1.509000 
1 1 1   29   25    3 o   2.8370   0.8321   2.7540   1.1050   2.9190   1.2450 -0.1655000 1.664000 
1 1 1   29   25    4 f   4.5370   0.7127   4.5930   1.0470   4.4800   0.9678 0.1131000 1.425000 
1 1 1   29   25    5 o   2.9980   0.7749   2.7210   1.1030   3.2750   1.0890 -0.5534000 1.550000 
1 1 1   29   25    6 o   3.2670   0.7871   3.0340   1.1390   3.4990   1.0870 -0.4650000 1.574000 
1 1 1   29   25    7 o   2.7590   0.7338   2.0670   0.9579   3.4510   1.1120 -1.384000 1.468000 
1 1 1   29   25    8 o   3.0620   0.7575   2.4170   1.0540   3.7060   1.0890 -1.289000 1.515000 
1 1 1   29   25    9 o   2.9290   0.8463   2.9000   1.2210   2.9570   1.1720 -0.5732000E-01 1.693000 
1 1 1   29   25   10 o   2.9110   0.8476   3.3380   1.2920   2.4840   1.0980 0.8541000 1.695000 
1 1 1   29   25   11 o   3.6320   0.8542   3.7420   1.2060   3.5210   1.2090 0.2214000 1.708000 
1 1 1   29   25   12 o   2.4580   0.7417   1.9290   0.9195   2.9870   1.1640 -1.058000 1.483000 
1 1 1   29   25   13 o   2.1820   0.7361   2.2390   1.0640   2.1240   1.0180 0.1151000 1.472000 
1 1 1   29   27    0 o   2.6560   0.7613   3.1490   1.1820   2.1620   0.9594 0.9862000 1.523000 
1 1 1   29   27    1 o   6.4520   0.6536   8.2060   0.6492   4.6980   1.1350 3.508000 1.307000 
1 1 1   29   27    2 o   5.8090   0.5970   6.4030   0.8185   5.2140   0.8694 1.189000 1.194000 
1 1 1   29   27    3 o   2.1610   0.6904   2.4110   1.0530   1.9100   0.8928 0.5008000 1.381000 
1 1 1   29   27    4 o   2.3300   0.7364   2.2670   1.0190   2.3940   1.0630 -0.1268000 1.473000 
1 1 1   29   27    5 o   2.7560   0.8513   2.8990   1.2260   2.6120   1.1810 0.2874000 1.703000 
1 1 1   29   27    6 o   2.3850   0.7946   2.5300   1.1390   2.2390   1.1090 0.2912000 1.589000 
1 1 1   29   27    7 o   1.9940   0.6750   2.0110   0.9475   1.9770   0.9615 0.3421000E-01 1.350000 
1 1 1   29   27    8 o   2.1460   0.7007   2.2060   1.0090   2.0860   0.9727 0.1196000 1.401000 
1 1 1   30    0    0 o   24.940   0.2911   24.940   0.2911   24.940   0.2911 0.000000 0.000000 
1 1 1   30    0    1 o   31.820   0.2815   31.820   0.2815   31.820   0.2815 0.000000 0.000000 
1 1 1   30    0    2 o   61.660   0.5093   61.660   0.5093   61.660   0.5093 0.000000 0.000000 
1 1 1   30    0    3 o   32.040   0.3553   32.040   0.3553   32.040   0.3553 0.000000 0.000000 
1 1 1   30    0    4 o   10.820   0.5334   10.820   0.5334   10.820   0.5334 0.000000 0.000000 
1 1 1   30    0    5 o   17.920   0.2971   17.920   0.2971   17.920   0.2971 0.000000 0.000000 
1 1 1   30    0    6 o   9.6530   0.3548   9.6530   0.3548   9.6530   0.3548 0.000000 0.000000 
1 1 1   30    0    7 o   20.750   0.2674   20.750   0.2674   20.750   0.2674 0.000000 0.000000 
1 1 1   30    0    8 o   16.490   0.2887   16.490   0.2887   16.490   0.2887 0.000000 0.000000 
1 1 1   30    0    9 o   25.300   0.2909   25.300   0.2909   25.300   0.2909 0.000000 0.000000 
1 1 1   30    0   10 o   32.880   0.3248   32.880   0.3248   32.880   0.3248 0.000000 0.000000 
1 1 1   30    0   11 o   26.060   0.3043   26.060   0.3043   26.060   0.3043 0.000000 0.000000 
1 1 1   30    0   12 o   11.620   0.4899   11.620   0.4899   11.620   0.4899 0.000000 0.000000 
1 1 1   30    0   13 o   10.660   0.4435   10.660   0.4435   10.660   0.4435 0.000000 0.000000 
1 1 1   30    0   14 f   9.1700   0.5139   9.1700   0.5139   9.1700   0.5139 0.000000 0.000000 
1 1 1   30    0   15 o   6.8020   0.7002   6.8020   0.7002   6.8020   0.7002 0.000000 0.000000 
1 1 1   30    0   16 o   4.3990   1.1870   4.3990   1.1870   4.3990   1.1870 0.000000 0.000000 
1 1 1   30    0   17 o   8.7330   1.0110   8.7330   1.0110   8.7330   1.0110 0.000000 0.000000 
1 1 1   30    0   18 o   11.480   0.4640   11.480   0.4640   11.480   0.4640 0.000000 0.000000 
1 1 1   30    0   19 o   14.370   0.3952   14.370   0.3952   14.370   0.3952 0.000000 0.000000 
1 1 1   30    0   20 o   4.3630   1.2330   4.3630   1.2330   4.3630   1.2330 0.000000 0.000000 
1 1 1   30    0   21 o   3.7660   1.3420   3.7660   1.3420   3.7660   1.3420 0.000000 0.000000 
1 1 1   30    0   22 o   7.0310   0.7102   7.0310   0.7102   7.0310   0.7102 0.000000 0.000000 
1 1 1   30    0   23 o   2.0020   1.2250   2.0020   1.2250   2.0020   1.2250 0.000000 0.000000 
1 1 1   30    0   24 o   2.4480   1.4190   2.4480   1.4190   2.4480   1.4190 0.000000 0.000000 
1 1 1   30    0   25 o   1.7430   1.1320   1.7430   1.1320   1.7430   1.1320 0.000000 0.000000 
1 1 1   30    0   26 o   2.1180   1.2730   2.1180   1.2730   2.1180   1.2730 0.000000 0.000000 
1 1 1   30    0   27 o   1.7740   1.1580   1.7740   1.1580   1.7740   1.1580 0.000000 0.000000 
1 1 1   30    0   28 o   1.7920   1.2640   1.7920   1.2640   1.7920   1.2640 0.000000 0.000000 
1 1 1   30    2    0 o   4.8220   0.3301   5.3240   0.4820   4.3200   0.4511 1.004000 0.6602000 
1 1 1   30    2    1 f   40.640   0.2992   41.150   0.4307   40.130   0.4155 1.016000 0.5985000 
1 1 1   30    2    2 o   12.630   0.2018   12.900   0.3041   12.360   0.2652 0.5326000 0.4035000 
1 1 1   30    2    3 o   12.250   0.2174   12.340   0.3286   12.160   0.2847 0.1772000 0.4348000 
1 1 1   30    2    4 o   14.880   0.2841   15.470   0.4744   14.300   0.3129 1.171000 0.5683000 
1 1 1   30    2    5 o   45.320   0.3957   45.540   0.6899   45.100   0.3878 0.4403000 0.7914000 
1 1 1   30    2    6 o   25.600   0.2831   25.570   0.4980   25.630   0.2693 -0.5960000E-01 0.5662000 
1 1 1   30    2    7 o   18.820   0.2862   18.720   0.5079   18.930   0.2640 -0.2036000 0.5724000 
1 1 1   30    2    8 o   14.610   0.3374   13.930   0.6039   15.300   0.3011 -1.361000 0.6748000 
1 1 1   30    2    9 o   3.2010   0.7222   3.6970   1.0200   2.7040   1.0230 0.9939000 1.444000 
1 1 1   30    2   10 o   18.210   0.2437   17.490   0.3844   18.930   0.2997 -1.449000 0.4875000 
1 1 1   30    2   11 o   11.870   0.2822   11.650   0.4094   12.100   0.3884 -0.4560000 0.5643000 
1 1 1   30    2   12 o   24.410   0.2642   24.420   0.3711   24.390   0.3763 0.2515000E-01 0.5285000 
1 1 1   30    2   13 o   2.9070   0.7678   2.5320   1.0470   3.2830   1.1230 -0.7510000 1.536000 
1 1 1   30    2   14 o   9.2420   0.3678   9.7750   0.4962   8.7080   0.5431 1.068000 0.7356000 
1 1 1   30    2   15 o   5.9900   0.5522   6.1680   0.7505   5.8120   0.8102 0.3556000 1.104000 
1 1 1   30    2   16 o   8.4980   0.4866   8.7450   0.6721   8.2510   0.7039 0.4936000 0.9733000 
1 1 1   30    2   17 f   8.9940   0.6364   8.4750   1.0880   9.5120   0.6611 -1.037000 1.273000 
1 1 1   30    2   18 o   11.400   0.3231   11.350   0.4607   11.440   0.4532 -0.9224000E-01 0.6462000 
1 1 1   30    2   19 o   8.0680   0.4420   8.9140   0.5566   7.2220   0.6867 1.692000 0.8840000 
1 1 1   30    2   20 f   3.2040   0.7360   2.2260   0.9977   4.1830   1.0820 -1.957000 1.472000 
1 1 1   30    2   21 o   4.1660   0.7726   3.8690   1.1370   4.4620   1.0470 -0.5923000 1.545000 
1 1 1   30    2   22 o   3.4080   0.8051   3.0750   1.1370   3.7400   1.1400 -0.6646000 1.610000 
1 1 1   30    2   23 o   2.0990   0.6743   2.4800   1.0600   1.7170   0.8338 0.7636000 1.349000 
1 1 1   30    2   24 o   4.8970   0.7984   3.5230   1.2800   6.2720   0.9543 -2.749000 1.597000 
1 1 1   30    2   25 o   3.0170   0.8067   3.2660   1.1640   2.7670   1.1170 0.4988000 1.613000 
1 1 1   30    2   26 o   2.1670   0.6895   1.7330   0.8475   2.6010   1.0880 -0.8687000 1.379000 
1 1 1   30    2   27 o   2.2530   0.7177   2.5730   1.1010   1.9330   0.9210 0.6403000 1.435000 
1 1 1   30    2   28 o   2.6810   0.9009   2.7830   1.3160   2.5790   1.2310 0.2046000 1.802000 
1 1 1   30    4    0 o   83.080   0.5375   83.140   0.6807   83.020   0.8321 0.1194000 1.075000 
1 1 1   30    4    1 o   19.060   0.2186   19.060   0.2186  ?   ?       ?      ? 
1 1 1   30    4    2 o   9.8880   0.2038   9.9870   0.2707   9.7890   0.3047 0.1982000 0.4076000 
1 1 1   30    4    3 o   15.930   0.1651   15.970   0.2337   15.890   0.2332 0.8248000E-01 0.3302000 
1 1 1   30    4    4 f   8.6370   0.3101   8.1540   0.4635   9.1210   0.4123 -0.9675000 0.6203000 
1 1 1   30    4    5 o   21.600   0.1807   21.530   0.2599   21.670   0.2511 -0.1422000 0.3613000 
1 1 1   30    4    6 o   10.390   0.2379   10.410   0.3428   10.360   0.3300 0.4538000E-01 0.4758000 
1 1 1   30    4    7 o   14.650   0.2299   14.700   0.2936   14.590   0.3539 0.1161000 0.4599000 
1 1 1   30    4    8 o   18.560   0.3306   18.420   0.5619   18.700   0.3486 -0.2789000 0.6612000 
1 1 1   30    4    9 o   26.250   0.3149   26.220   0.5566   26.290   0.2945 -0.7217000E-01 0.6298000 
1 1 1   30    4   10 o   3.6170   0.9043   3.5640   1.4710   3.6690   1.0520 -0.1048000 1.809000 
1 1 1   30    4   11 o   9.9290   0.3553   9.9280   0.5496   9.9300   0.4505 -0.2522000E-02 0.7107000 
1 1 1   30    4   12 o   2.4300   0.7666   2.7300   1.1650   2.1310   0.9967 0.5990000 1.533000 
1 1 1   30    4   13 o   5.5630   0.5838   5.6670   0.8149   5.4590   0.8361 0.2075000 1.168000 
1 1 1   30    4   14 o   14.650   0.2416   14.500   0.3199   14.800   0.3620 -0.2986000 0.4831000 
1 1 1   30    4   15 o   6.8260   0.4432   6.6160   0.6070   7.0350   0.6459 -0.4198000 0.8864000 
1 1 1   30    4   16 o   5.2790   0.7069   6.0870   0.7774   4.4700   1.1810 1.617000 1.414000 
1 1 1   30    4   17 o   8.6850   0.4552   8.5230   0.5827   8.8470   0.6995 -0.3239000 0.9104000 
1 1 1   30    4   18 o   8.2420   0.4074   8.9290   0.4735   7.5550   0.6630 1.373000 0.8148000 
1 1 1   30    4   19 o   9.5120   0.3495   9.4520   0.4556   9.5710   0.5302 -0.1187000 0.6991000 
1 1 1   30    4   20 o   8.4280   0.3859   8.0170   0.5297   8.8400   0.5613 -0.8222000 0.7718000 
1 1 1   30    4   21 o   1.9490   0.6395   1.9240   0.8864   1.9740   0.9221 -0.4999000E-01 1.279000 
1 1 1   30    4   22 o   3.5280   0.7120   4.4660   0.9396   2.5900   1.0700 1.876000 1.424000 
1 1 1   30    4   23 o   3.0140   0.7211   3.8430   1.0570   2.1860   0.9807 1.657000 1.442000 
1 1 1   30    4   24 o   4.7130   0.8591   4.8600   1.2120   4.5660   1.2170 0.2933000 1.718000 
1 1 1   30    4   25 f   2.6180   0.7073   3.4010   1.1080   1.8360   0.8792 1.565000 1.415000 
1 1 1   30    4   26 o   3.3150   0.7253   2.1510   0.9680   4.4790   1.0800 -2.328000 1.451000 
1 1 1   30    4   27 o   2.7990   0.7893   3.2430   1.1800   2.3560   1.0490 0.8862000 1.579000 
1 1 1   30    4   28 o   2.1590   1.0800   2.1590   1.0800  ?   ?       ?      ? 
1 1 1   30    6    0 o   32.820   0.1968   33.440   0.2992   32.200   0.2558 1.232000 0.3936000 
1 1 1   30    6    1 o   19.930   0.1761   20.620   0.2333   19.250   0.2639 1.372000 0.3522000 
1 1 1   30    6    2 o   39.590   0.2451   39.590   0.3462   39.590   0.3471 -0.2972000E-02 0.4903000 
1 1 1   30    6    3 o   36.180   0.2841   35.840   0.3991   36.530   0.4045 -0.6840000 0.5682000 
1 1 1   30    6    4 o   19.280   0.2011   18.940   0.3160   19.630   0.2487 -0.6839000 0.4022000 
1 1 1   30    6    5 o   41.600   0.2598   42.000   0.3711   41.200   0.3637 0.8025000 0.5196000 
1 1 1   30    6    6 o   7.8000   0.3226   8.3180   0.4245   7.2820   0.4859 1.036000 0.6452000 
1 1 1   30    6    7 f   28.330   0.2103   28.190   0.2987   28.470   0.2960 -0.2723000 0.4206000 
1 1 1   30    6    8 o   14.920   0.2231   15.040   0.3208   14.800   0.3101 0.2439000 0.4462000 
1 1 1   30    6    9 o   39.870   0.2614   39.800   0.3727   39.940   0.3666 -0.1423000 0.5228000 
1 1 1   30    6   10 f   18.390   0.3181   17.950   0.5582   18.830   0.3051 -0.8750000 0.6362000 
1 1 1   30    6   11 o   25.560   0.3393   25.420   0.6033   25.700   0.3109 -0.2829000 0.6787000 
1 1 1   30    6   12 o   18.200   0.3878   18.100   0.6591   18.300   0.4088 -0.2005000 0.7756000 
1 1 1   30    6   13 o   10.890   0.5160   10.980   0.9310   10.800   0.4453 0.1744000 1.032000 
1 1 1   30    6   14 o   4.3440   0.7460   4.5300   1.0480   4.1580   1.0620 0.3716000 1.492000 
1 1 1   30    6   15 o   8.6200   0.4234   8.5820   0.5525   8.6580   0.6418 -0.7551000E-01 0.8469000 
1 1 1   30    6   16 o   7.9650   0.5447   8.2570   0.7514   7.6740   0.7888 0.5833000 1.089000 
1 1 1   30    6   17 o   11.160   0.3244   11.260   0.4585   11.070   0.4592 0.1839000 0.6489000 
1 1 1   30    6   18 o   8.2780   0.4204   8.6860   0.5765   7.8710   0.6121 0.8151000 0.8409000 
1 1 1   30    6   19 o   9.8510   0.3436   10.110   0.4388   9.5920   0.5289 0.5174000 0.6872000 
1 1 1   30    6   20 o   8.7710   0.3808   8.8910   0.4940   8.6500   0.5797 0.2407000 0.7617000 
1 1 1   30    6   21 o   3.4380   0.7314   2.5430   1.0270   4.3330   1.0420 -1.791000 1.463000 
1 1 1   30    6   22 o   2.1600   0.6850   1.9960   0.9147   2.3240   1.0200 -0.3283000 1.370000 
1 1 1   30    6   23 o   2.1940   0.6987   2.4010   1.0500   1.9860   0.9226 0.4148000 1.397000 
1 1 1   30    6   24 o   2.9290   0.8251   2.5220   1.0740   3.3370   1.2530 -0.8156000 1.650000 
1 1 1   30    6   25 o   1.8150   0.6152   1.8100   0.8639   1.8200   0.8762 -0.9935000E-02 1.230000 
1 1 1   30    6   26 o   2.2240   0.6992   1.8820   0.8915   2.5650   1.0770 -0.6824000 1.398000 
1 1 1   30    6   27 o   2.0380   0.6897   1.9800   0.9442   2.0950   1.0050 -0.1150000 1.379000 
1 1 1   30    8    0 o   21.600   0.1650   21.460   0.2452   21.740   0.2210 -0.2798000 0.3301000 
1 1 1   30    8    1 o   43.120   0.2997   42.970   0.4626   43.260   0.3812 -0.2950000 0.5994000 
1 1 1   30    8    2 f   20.780   0.2264   20.880   0.3230   20.680   0.3173 0.1979000 0.4528000 
1 1 1   30    8    3 o   21.540   0.1989   22.230   0.2629   20.850   0.2985 1.380000 0.3978000 
1 1 1   30    8    4 o   31.410   0.2379   31.550   0.3066   31.260   0.3639 0.2891000 0.4759000 
1 1 1   30    8    5 o   26.950   0.2036   26.840   0.2874   27.050   0.2884 -0.2076000 0.4071000 
1 1 1   30    8    6 o   22.390   0.1985   21.990   0.2792   22.800   0.2821 -0.8112000 0.3969000 
1 1 1   30    8    7 o   2.6400   0.7183   2.6060   1.0180   2.6750   1.0130 -0.6947000E-01 1.437000 
1 1 1   30    8    8 o   28.800   0.2405   28.820   0.3683   28.770   0.3094 0.4693000E-01 0.4810000 
1 1 1   30    8    9 o   30.790   0.3215  ?   ?    30.790   0.3215      ?      ? 
1 1 1   30    8   10 o   11.840   0.2862   12.030   0.4083   11.660   0.4011 0.3765000 0.5723000 
1 1 1   30    8   11 f   12.690   0.3730   12.380   0.5604   13.000   0.4924 -0.6271000 0.7460000 
1 1 1   30    8   12 o   11.600   0.3079   10.930   0.4681   12.270   0.4001 -1.341000 0.6158000 
1 1 1   30    8   13 o   13.800   0.5033   13.520   0.9333   14.080   0.3772 -0.5579000 1.007000 
1 1 1   30    8   14 o   8.0280   0.8077   7.9840   1.4600   8.0720   0.6920 -0.8790000E-01 1.615000 
1 1 1   30    8   15 f   9.3340   0.6891   8.1670   1.2910   10.500   0.4839 -2.334000 1.378000 
1 1 1   30    8   16 o   3.5700   0.9710   3.3590   1.4720   3.7800   1.2660 -0.4215000 1.942000 
1 1 1   30    8   17 o   8.9650   0.3950   8.7840   0.5853   9.1460   0.5306 -0.3622000 0.7900000 
1 1 1   30    8   18 o   8.4350   0.4159   8.9560   0.5627   7.9130   0.6125 1.043000 0.8317000 
1 1 1   30    8   19 o   3.7910   0.8026   4.0880   1.1250   3.4940   1.1450 0.5936000 1.605000 
1 1 1   30    8   20 o   2.1960   0.6955   2.0250   0.9423   2.3670   1.0230 -0.3424000 1.391000 
1 1 1   30    8   21 o   2.9860   0.8015   2.9500   1.1390   3.0220   1.1280 -0.7148000E-01 1.603000 
1 1 1   30    8   22 o   4.3030   0.7474   4.8240   1.0070   3.7830   1.1050 1.042000 1.495000 
1 1 1   30    8   23 o   2.7130   0.7907   1.9780   0.9343   3.4480   1.2760 -1.470000 1.581000 
1 1 1   30    8   24 o   4.4540   0.7477   4.0740   1.0940   4.8350   1.0190 -0.7606000 1.495000 
1 1 1   30    8   25 o   3.3040   0.8168   3.3760   1.1520   3.2320   1.1590 0.1445000 1.634000 
1 1 1   30    8   26 o   1.8680   0.6290   1.6950   0.8247   2.0410   0.9500 -0.3458000 1.258000 
1 1 1   30    8   27 o   2.0350   0.7113   1.7220   0.8683   2.3470   1.1270 -0.6249000 1.423000 
1 1 1   30   10    0 o   42.870   0.2508   42.700   0.3768   43.030   0.3312 -0.3325000 0.5017000 
1 1 1   30   10    1 o   50.490   0.2882   50.640   0.4358   50.340   0.3772 0.3046000 0.5764000 
1 1 1   30   10    2 o   32.980   0.2121   33.030   0.3188   32.930   0.2798 0.9571000E-01 0.4241000 
1 1 1   30   10    3 o   14.710   0.2121   15.010   0.2964   14.420   0.3035 0.5893000 0.4242000 
1 1 1   30   10    4 o   7.6960   0.3531   7.7390   0.4896   7.6530   0.5091 0.8616000E-01 0.7063000 
1 1 1   30   10    5 o   18.840   0.2096   18.840   0.2973   18.840   0.2956 -0.1526000E-04 0.4193000 
1 1 1   30   10    6 o   20.290   0.2266   20.370   0.3403   20.210   0.2993 0.1586000 0.4532000 
1 1 1   30   10    7 o   6.0720   0.5620   7.8250   0.6092   4.3180   0.9446 3.507000 1.124000 
1 1 1   30   10    8 o   27.800   0.2240   27.910   0.3202   27.680   0.3133 0.2245000 0.4479000 
1 1 1   30   10    9 o   13.070   0.2686   13.070   0.3860   13.080   0.3737 -0.1866000E-01 0.5373000 
1 1 1   30   10   10 o   16.790   0.3023   16.910   0.4259   16.670   0.4292 0.2332000 0.6046000 
1 1 1   30   10   11 o   11.930   0.3415   11.140   0.5579   12.720   0.3939 -1.571000 0.6830000 
1 1 1   30   10   12 o   6.4190   0.5009   6.5510   0.7081   6.2870   0.7087 0.2632000 1.002000 
1 1 1   30   10   13 o   11.530   0.3357   11.300   0.4468   11.760   0.5011 -0.4628000 0.6714000 
1 1 1   30   10   14 o   12.860   0.2916   12.710   0.4207   13.020   0.4039 -0.3096000 0.5832000 
1 1 1   30   10   15 o   8.4580   0.5234   8.5750   0.7900   8.3410   0.6868 0.2333000 1.047000 
1 1 1   30   10   16 o   4.2070   0.8470   5.2830   1.2750   3.1310   1.1150 2.152000 1.694000 
1 1 1   30   10   17 o   8.6000   0.7669   8.8870   1.4170   8.3130   0.5860 0.5747000 1.534000 
1 1 1   30   10   18 o   3.0420   0.9736   3.9680   1.6920   2.1170   0.9636 1.851000 1.947000 
1 1 1   30   10   19 o   2.6880   0.8790   3.0710   1.4380   2.3050   1.0120 0.7657000 1.758000 
1 1 1   30   10   20 o   2.4130   0.7450   2.4240   1.0760   2.4030   1.0310 0.2088000E-01 1.490000 
1 1 1   30   10   21 o   4.8280   0.7916   5.1850   1.1730   4.4710   1.0630 0.7132000 1.583000 
1 1 1   30   10   22 o   2.5610   0.7796   2.5010   1.1270   2.6210   1.0780 -0.1202000 1.559000 
1 1 1   30   10   23 o   2.3720   0.7693   2.0210   0.9814   2.7230   1.1850 -0.7015000 1.539000 
1 1 1   30   10   24 o   2.6010   0.7706   2.3610   1.0600   2.8420   1.1190 -0.4817000 1.541000 
1 1 1   30   10   25 o   4.0270   0.8376   4.1180   1.2060   3.9360   1.1620 0.1821000 1.675000 
1 1 1   30   10   26 o   2.0190   0.6847   2.0550   0.9757   1.9830   0.9608 0.7262000E-01 1.369000 
1 1 1   30   12    0 o   23.030   0.1899   23.120   0.2849   22.950   0.2512 0.1711000 0.3798000 
1 1 1   30   12    1 o   7.0100   0.3641   7.3480   0.5196   6.6720   0.5101 0.6763000 0.7281000 
1 1 1   30   12    2 f   13.890   0.2181   13.520   0.3263   14.250   0.2894 -0.7336000 0.4361000 
1 1 1   30   12    3 o   24.610   0.2287   24.650   0.3473   24.580   0.2977 0.7333000E-01 0.4574000 
1 1 1   30   12    4 o   27.890   0.2398   28.020   0.3655   27.770   0.3105 0.2566000 0.4796000 
1 1 1   30   12    5 o   23.710   0.2159   24.100   0.3082   23.320   0.3024 0.7806000 0.4318000 
1 1 1   30   12    6 f   12.310   0.2741   12.430   0.3858   12.180   0.3895 0.2457000 0.5483000 
1 1 1   30   12    7 o   6.5090   0.4866   6.5490   0.6736   6.4680   0.7024 0.8114000E-01 0.9732000 
1 1 1   30   12    8 o   12.540   0.3626   12.490   0.5008   12.590   0.5244 -0.1039000 0.7251000 
1 1 1   30   12    9 o   31.160   0.2718   31.580   0.4283   30.740   0.3349 0.8487000 0.5437000 
1 1 1   30   12   10 o   5.4590   0.5933   5.4280   0.8550   5.4900   0.8227 -0.6218000E-01 1.187000 
1 1 1   30   12   11 o   11.170   0.3425   10.900   0.4558   11.430   0.5112 -0.5269000 0.6849000 
1 1 1   30   12   12 o   7.1940   0.4650   6.9820   0.6706   7.4050   0.6444 -0.4226000 0.9300000 
1 1 1   30   12   13 o   2.2370   0.6904   2.7420   1.0950   1.7320   0.8405 1.010000 1.381000 
1 1 1   30   12   14 o   7.2650   0.5870   7.1990   0.8733   7.3320   0.7846 -0.1335000 1.174000 
1 1 1   30   12   15 o   11.640   0.3172   11.600   0.4533   11.680   0.4440 -0.7193000E-01 0.6345000 
1 1 1   30   12   16 o   9.8860   0.3620   9.9700   0.5209   9.8010   0.5029 0.1685000 0.7241000 
1 1 1   30   12   17 o   7.0820   0.4907   7.9280   0.6397   6.2360   0.7442 1.692000 0.9814000 
1 1 1   30   12   18 o   4.6280   0.7340   4.0660   1.1570   5.1900   0.9034 -1.124000 1.468000 
1 1 1   30   12   19 o   2.4140   0.7381   2.5580   1.0870   2.2710   0.9983 0.2865000 1.476000 
1 1 1   30   12   20 o   2.1310   0.9702  ?   ?    2.1310   0.9702      ?      ? 
1 1 1   30   12   21 o   3.1220   0.9220   2.9880   1.4390   3.2560   1.1530 -0.2673000 1.844000 
1 1 1   30   12   22 o   2.6680   0.8646   2.4560   1.2250   2.8800   1.2210 -0.4238000 1.729000 
1 1 1   30   12   23 o   2.6990   0.8781   2.9090   1.3940   2.4890   1.0690 0.4200000 1.756000 
1 1 1   30   12   24 o   3.4830   0.8517   4.1050   1.2730   2.8610   1.1320 1.243000 1.703000 
1 1 1   30   12   25 o   2.4990   0.7779   2.9650   1.2070   2.0340   0.9815 0.9307000 1.556000 
1 1 1   30   14    0 o   30.620   0.2137   30.550   0.3211   30.690   0.2822 -0.1403000 0.4275000 
1 1 1   30   14    1 o   18.300   0.2050   18.130   0.3092   18.460   0.2691 -0.3201000 0.4099000 
1 1 1   30   14    2 o   7.4990   0.3783   6.9710   0.6041   8.0260   0.4556 -1.055000 0.7566000 
1 1 1   30   14    3 o   15.390   0.2217   15.100   0.3346   15.680   0.2909 -0.5769000 0.4434000 
1 1 1   30   14    4 o   6.0860   0.4928   5.1760   0.8147   6.9970   0.5547 -1.821000 0.9856000 
1 1 1   30   14    5 o   6.5160   0.4630   5.8760   0.7449   7.1550   0.5502 -1.279000 0.9261000 
1 1 1   30   14    6 o   18.640   0.3000   18.690   0.4147   18.590   0.4336 0.9917000E-01 0.6000000 
1 1 1   30   14    7 o   16.480   0.2776   16.590   0.4321   16.370   0.3486 0.2186000 0.5552000 
1 1 1   30   14    8 o   20.090   0.2520   19.880   0.3276   20.300   0.3830 -0.4194000 0.5040000 
1 1 1   30   14    9 o   14.340   0.2917   14.160   0.3844   14.520   0.4389 -0.3531000 0.5835000 
1 1 1   30   14   10 o   8.0030   0.4239   7.9080   0.6083   8.0970   0.5907 -0.1894000 0.8479000 
1 1 1   30   14   11 o   12.510   0.2955   12.530   0.4190   12.500   0.4168 0.3366000E-01 0.5911000 
1 1 1   30   14   12 o   6.6770   0.6459   7.1180   0.8814   6.2360   0.9442 0.8815000 1.292000 
1 1 1   30   14   13 o   3.9340   0.7833   3.5490   1.1370   4.3190   1.0770 -0.7694000 1.567000 
1 1 1   30   14   14 o   5.9890   0.5658   6.4500   0.7376   5.5290   0.8582 0.9206000 1.132000 
1 1 1   30   14   15 o   2.8020   0.7717   2.5070   1.0600   3.0970   1.1210 -0.5898000 1.543000 
1 1 1   30   14   16 o   5.1240   0.6753   5.1100   0.9729   5.1390   0.9369 -0.2819000E-01 1.351000 
1 1 1   30   14   17 o   2.4140   0.7166   1.9010   0.9060   2.9270   1.1100 -1.026000 1.433000 
1 1 1   30   14   18 o   5.4410   0.6517   5.1280   1.0130   5.7530   0.8197 -0.6246000 1.303000 
1 1 1   30   14   19 o   3.9740   0.8382   4.4450   1.2340   3.5030   1.1350 0.9423000 1.676000 
1 1 1   30   14   20 o   4.3860   0.7812   4.1430   1.1580   4.6290   1.0490 -0.4857000 1.562000 
1 1 1   30   14   21 o   2.3480   0.7698   2.3060   1.0750   2.3900   1.1030 -0.8373000E-01 1.540000 
1 1 1   30   14   22 f   3.8450   0.8188   3.4560   1.2100   4.2340   1.1040 -0.7776000 1.638000 
1 1 1   30   14   23 o   1.8180   0.6238   1.7810   0.8755   1.8550   0.8889 -0.7317000E-01 1.248000 
1 1 1   30   14   24 o   2.4950   0.8520   2.7260   1.3350   2.2630   1.0580 0.4625000 1.704000 
1 1 1   30   16    0 f   25.220   0.2068   24.880   0.3098   25.560   0.2740 -0.6839000 0.4136000 
1 1 1   30   16    1 o   22.290   0.2079   21.890   0.3122   22.700   0.2746 -0.8105000 0.4158000 
1 1 1   30   16    2 o   17.580   0.2166   17.670   0.3172   17.500   0.2950 0.1633000 0.4332000 
1 1 1   30   16    3 f   4.6010   0.7842   4.5860   1.1660   4.6160   1.0490 -0.2988000E-01 1.568000 
1 1 1   30   16    4 o   17.920   0.2973   18.150   0.4152   17.690   0.4257 0.4635000 0.5947000 
1 1 1   30   16    5 o   14.910   0.2538   14.690   0.3602   15.120   0.3577 -0.4277000 0.5077000 
1 1 1   30   16    6 o   13.160   0.2818   13.180   0.4005   13.130   0.3967 0.5297000E-01 0.5637000 
1 1 1   30   16    7 o   8.1260   0.4161   7.8600   0.5957   8.3930   0.5810 -0.5334000 0.8321000 
1 1 1   30   16    8 o   17.280   0.2507   16.860   0.3558   17.700   0.3533 -0.8379000 0.5014000 
1 1 1   30   16    9 o   2.6920   0.7601   3.0320   1.1170   2.3520   1.0310 0.6800000 1.520000 
1 1 1   30   16   10 o   4.8100   0.8756   4.9440   1.2360   4.6770   1.2410 0.2669000 1.751000 
1 1 1   30   16   11 o   7.8240   0.5602   7.7400   0.8085   7.9080   0.7757 -0.1678000 1.120000 
1 1 1   30   16   12 o   2.2130   0.6969   2.5420   1.0690   1.8840   0.8945 0.6572000 1.394000 
1 1 1   30   16   13 o   10.080   0.3515   10.540   0.4854   9.6210   0.5085 0.9149000 0.7030000 
1 1 1   30   16   14 o   5.0700   0.6757   5.6250   0.8813   4.5160   1.0250 1.109000 1.351000 
1 1 1   30   16   15 o   7.2020   0.4915   6.8140   0.7472   7.5900   0.6389 -0.7756000 0.9831000 
1 1 1   30   16   16 o   2.6750   0.7495   3.2750   1.1590   2.0750   0.9509 1.200000 1.499000 
1 1 1   30   16   17 o   7.4720   0.5657   6.0060   0.9945   8.9370   0.5395 -2.931000 1.131000 
1 1 1   30   16   18 o   4.2700   0.7824   4.6930   1.0940   3.8460   1.1180 0.8469000 1.565000 
1 1 1   30   16   19 o   2.3950   0.7667   2.1930   1.0090   2.5960   1.1540 -0.4031000 1.533000 
1 1 1   30   16   20 o   2.6190   0.8217   2.3860   1.1100   2.8520   1.2120 -0.4661000 1.643000 
1 1 1   30   16   21 f   2.1660   0.6929   1.7580   0.8614   2.5740   1.0850 -0.8157000 1.386000 
1 1 1   30   16   22 o   2.1230   0.7057   1.9440   0.9325   2.3030   1.0600 -0.3588000 1.411000 
1 1 1   30   16   23 o   1.8590   0.6463   1.9310   0.9535   1.7880   0.8727 0.1433000 1.293000 
1 1 1   30   18    0 o   4.2000   0.7196   4.1190   1.0330   4.2810   1.0020 -0.1622000 1.439000 
1 1 1   30   18    1 o   6.2500   0.4731   6.1320   0.7056   6.3680   0.6303 -0.2358000 0.9461000 
1 1 1   30   18    2 o   8.3400   0.3666   7.8610   0.5671   8.8190   0.4647 -0.9573000 0.7332000 
1 1 1   30   18    3 o   5.2990   0.5669   4.9340   0.8801   5.6640   0.7149 -0.7298000 1.134000 
1 1 1   30   18    4 o   8.2990   0.3765   7.8170   0.5866   8.7810   0.4719 -0.9642000 0.7529000 
1 1 1   30   18    5 f   6.0100   0.5093   5.8300   0.7819   6.1900   0.6527 -0.3591000 1.019000 
1 1 1   30   18    6 o   4.1400   0.7000   3.3840   1.1160   4.8960   0.8454 -1.512000 1.400000 
1 1 1   30   18    7 o   3.4440   0.7473   4.1300   1.0730   2.7580   1.0410 1.372000 1.495000 
1 1 1   30   18    8 o   10.130   0.4078   10.200   0.6304   10.070   0.5175 0.1290000 0.8156000 
1 1 1   30   18    9 o   3.4470   0.7466   2.4120   1.0410   4.4810   1.0700 -2.069000 1.493000 
1 1 1   30   18   10 o   3.1220   0.7927   3.5780   1.1410   2.6660   1.1000 0.9112000 1.585000 
1 1 1   30   18   11 o   3.2220   0.8065   3.0190   1.1210   3.4260   1.1590 -0.4075000 1.613000 
1 1 1   30   18   12 o   2.9970   0.6821   1.7190   0.8348   4.2760   1.0790 -2.557000 1.364000 
1 1 1   30   18   13 o   2.6970   0.7745   2.6390   1.0890   2.7550   1.1020 -0.1160000 1.549000 
1 1 1   30   18   14 o   3.2600   0.8128   3.3330   1.1650   3.1870   1.1340 0.1462000 1.626000 
1 1 1   30   18   15 o   2.2700   0.7252   2.4240   1.0820   2.1160   0.9658 0.3074000 1.450000 
1 1 1   30   18   16 o   5.1760   0.6842   5.1740   1.0110   5.1780   0.9217 -0.4261000E-02 1.368000 
1 1 1   30   18   17 o   2.5480   0.7623   2.8610   1.1530   2.2340   0.9978 0.6267000 1.525000 
1 1 1   30   18   18 o   3.1500   0.9076   3.2650   1.3060   3.0360   1.2610 0.2291000 1.815000 
1 1 1   30   18   19 o   3.3630   0.8259   2.9900   1.1720   3.7370   1.1630 -0.7465000 1.652000 
1 1 1   30   18   20 o   2.3260   0.7257   2.8920   1.1740   1.7600   0.8529 1.132000 1.451000 
1 1 1   30   18   21 o   2.1800   0.7216   2.1120   0.9891   2.2480   1.0510 -0.1364000 1.443000 
1 1 1   30   20    0 o   4.2910   0.6942   3.6010   1.1170   4.9800   0.8250 -1.380000 1.388000 
1 1 1   30   20    1 o   4.9180   0.6144   4.8670   0.9226   4.9700   0.8117 -0.1026000 1.229000 
1 1 1   30   20    2 o   11.240   0.2923   11.540   0.4268   10.940   0.3994 0.6033000 0.5845000 
1 1 1   30   20    3 o   5.3570   0.5763   4.9580   0.9179   5.7570   0.6972 -0.7995000 1.153000 
1 1 1   30   20    4 o   4.6010   0.8180   4.3380   1.2930   4.8630   1.0030 -0.5250000 1.636000 
1 1 1   30   20    5 o   2.2600   0.7293   2.2820   1.0620   2.2380   1.0000 0.4447000E-01 1.459000 
1 1 1   30   20    6 o   3.1580   0.7756   3.3610   1.1360   2.9540   1.0560 0.4075000 1.551000 
1 1 1   30   20    7 o   6.7680   0.4774   7.1370   0.6862   6.3990   0.6638 0.7385000 0.9548000 
1 1 1   30   20    8 o   7.1820   0.4425   7.4520   0.6422   6.9120   0.6089 0.5406000 0.8850000 
1 1 1   30   20    9 o   5.8530   0.5464   5.8260   0.8261   5.8800   0.7154 -0.5439000E-01 1.093000 
1 1 1   30   20   10 o   2.7370   0.7556   3.1760   1.1420   2.2980   0.9901 0.8777000 1.511000 
1 1 1   30   20   11 o   6.8780   0.5374   7.2470   0.7028   6.5090   0.8132 0.7377000 1.075000 
1 1 1   30   20   12 o   8.2410   0.4860   7.9190   0.7455   8.5620   0.6236 -0.6427000 0.9720000 
1 1 1   30   20   13 o   4.1550   0.8395   4.6170   1.1950   3.6930   1.1790 0.9239000 1.679000 
1 1 1   30   20   14 o   2.4330   0.7455   2.2640   1.0190   2.6020   1.0880 -0.3379000 1.491000 
1 1 1   30   20   15 o   5.3030   0.6925   6.3900   0.8261   4.2170   1.1120 2.173000 1.385000 
1 1 1   30   20   16 o   2.4540   0.7752   3.0630   1.2550   1.8450   0.9101 1.218000 1.550000 
1 1 1   30   20   17 o   1.9630   0.6570   2.2370   1.0200   1.6900   0.8282 0.5479000 1.314000 
1 1 1   30   20   18 o   2.2730   0.7314   1.8990   0.9151   2.6480   1.1410 -0.7491000 1.463000 
1 1 1   30   20   19 o   2.7930   0.8154   2.9420   1.1660   2.6440   1.1410 0.2984000 1.631000 
1 1 1   30   22    0 o   4.0490   0.8587   5.2750   1.2110   2.8220   1.2180 2.454000 1.717000 
1 1 1   30   22    1 o   3.5190   0.8767   3.0950   1.1210   3.9430   1.3480 -0.8480000 1.753000 
1 1 1   30   22    2 o   2.5130   0.7314   2.4300   1.0350   2.5950   1.0340 -0.1644000 1.463000 
1 1 1   30   22    3 o   4.7440   0.6633   4.6890   0.9946   4.8000   0.8777 -0.1114000 1.327000 
1 1 1   30   22    4 o   5.1160   0.6273   4.7380   1.0030   5.4940   0.7539 -0.7559000 1.255000 
1 1 1   30   22    5 o   2.8960   0.7534   2.5850   1.0770   3.2070   1.0540 -0.6218000 1.507000 
1 1 1   30   22    6 o   6.3160   0.5418   5.3590   0.9128   7.2720   0.5840 -1.912000 1.084000 
1 1 1   30   22    7 o   4.3340   0.7312   4.1870   1.1140   4.4800   0.9474 -0.2929000 1.462000 
1 1 1   30   22    8 o   1.9640   0.6585   1.9390   0.9332   1.9890   0.9292 -0.4953000E-01 1.317000 
1 1 1   30   22    9 o   2.3630   0.7415   2.2630   1.0410   2.4620   1.0560 -0.1991000 1.483000 
1 1 1   30   22   10 o   2.2140   0.6931   1.7900   0.8668   2.6380   1.0820 -0.8482000 1.386000 
1 1 1   30   22   11 o   2.6800   0.7118   1.9870   0.9310   3.3720   1.0770 -1.386000 1.424000 
1 1 1   30   22   12 o   2.0250   0.6667   2.0660   0.9619   1.9840   0.9234 0.8221000E-01 1.333000 
1 1 1   30   22   13 o   2.7090   0.7947   2.9670   1.1650   2.4520   1.0810 0.5153000 1.589000 
1 1 1   30   22   14 o   2.8740   0.8720   3.2770   1.3030   2.4700   1.1590 0.8070000 1.744000 
1 1 1   30   22   15 o   4.0390   0.8605   4.1530   1.1820   3.9240   1.2510 0.2289000 1.721000 
1 1 1   30   22   16 o   2.0700   0.6917   1.6680   0.8234   2.4720   1.1120 -0.8044000 1.383000 
1 1 1   30   22   17 o   2.3410   0.7327   2.6920   1.1230   1.9900   0.9412 0.7013000 1.465000 
1 1 1   30   24    0 o   4.3970   0.7173   4.1450   1.1090   4.6490   0.9104 -0.5037000 1.435000 
1 1 1   30   24    1 o   10.290   0.3367   10.310   0.5038   10.270   0.4467 0.4479000E-01 0.6733000 
1 1 1   30   24    2 o   5.2000   0.8020   4.7280   1.1430   5.6720   1.1250 -0.9444000 1.604000 
1 1 1   30   24    3 o   4.2790   0.9391   5.0330   1.1300   3.5250   1.5010 1.508000 1.878000 
1 1 1   30   24    4 o   4.6990   0.8980   5.7390   0.9806   3.6590   1.5050 2.080000 1.796000 
1 1 1   30   24    5 o   5.0100   0.7650   4.4080   1.0980   5.6130   1.0650 -1.205000 1.530000 
1 1 1   30   24    6 o   2.7810   0.7683   3.0910   1.1450   2.4710   1.0250 0.6195000 1.537000 
1 1 1   30   24    7 o   2.8520   0.7469   2.3310   1.0260   3.3720   1.0850 -1.041000 1.494000 
1 1 1   30   24    8 o   1.8830   0.6305   1.8190   0.8771   1.9480   0.9061 -0.1291000 1.261000 
1 1 1   30   24    9 o   5.3300   0.6513   6.5310   0.7680   4.1300   1.0520 2.401000 1.303000 
1 1 1   30   24   10 o   4.5230   0.7334   4.5630   1.0880   4.4830   0.9841 0.7988000E-01 1.467000 
1 1 1   30   24   11 o   3.1520   0.8376   4.1600   1.3440   2.1440   1.0000 2.017000 1.675000 
1 1 1   30   24   12 f   5.6440   0.7844   4.9690   1.2560   6.3190   0.9399 -1.350000 1.569000 
1 1 1   30   24   13 o   2.5790   0.7730   2.8830   1.1550   2.2750   1.0270 0.6079000 1.546000 
1 1 1   30   24   14 o   3.5130   0.8557   3.7520   1.2170   3.2740   1.2030 0.4777000 1.711000 
1 1 1   30   26    0 f   7.0280   0.4939   6.5580   0.7993   7.4970   0.5804 -0.9396000 0.9878000 
1 1 1   30   26    1 o   5.0230   0.6704   5.4770   0.9389   4.5690   0.9573 0.9083000 1.341000 
1 1 1   30   26    2 o   4.1480   0.7396   3.5510   1.1700   4.7440   0.9053 -1.193000 1.479000 
1 1 1   30   26    3 o   2.1150   0.6687   1.8400   0.8818   2.3900   1.0060 -0.5494000 1.337000 
1 1 1   30   26    4 o   3.5700   0.7894   3.5860   1.1660   3.5550   1.0640 0.3095000E-01 1.579000 
1 1 1   30   26    5 o   4.2080   0.7646   3.9050   1.1510   4.5120   1.0070 -0.6066000 1.529000 
1 1 1   30   26    6 o   2.4440   0.7846   2.3860   1.0580   2.5020   1.1590 -0.1164000 1.569000 
1 1 1   30   26    7 o   3.2040   0.8908   3.7060   1.3080   2.7030   1.2100 1.003000 1.782000 
1 1 1   30   26    8 o   2.2910   0.7921   1.9430   0.9473   2.6390   1.2700 -0.6965000 1.584000 
1 1 1   30   26    9 o   3.9980   0.8649   2.9390   1.1700   5.0570   1.2740 -2.118000 1.730000 
1 1 1   30   26   10 f   2.6170   0.7809   2.6380   1.1070   2.5960   1.1020 0.4116000E-01 1.562000 
1 1 1   30   28    0 o   2.1440   0.7135   2.0240   0.9562   2.2650   1.0590 -0.2410000 1.427000 
1 1 1   30   28    1 o   2.4780   0.7968   2.6180   1.1660   2.3380   1.0860 0.2796000 1.594000 
1 1 1   30   28    2 o   2.7720   0.8502   2.6420   1.1670   2.9010   1.2370 -0.2596000 1.700000 
1 1 1   30   28    3 o   3.1720   0.8111   4.3170   1.2940   2.0270   0.9789 2.290000 1.622000 
1 1 1   30   28    4 o   2.0360   0.7154   2.3020   1.1400   1.7710   0.8653 0.5312000 1.431000 
1 1 1   31    1    0 o   56.490   0.3690   56.400   0.5716   56.580   0.4669 -0.1808000 0.7381000 
1 1 1   31    1    1 o   33.610   0.2350   33.670   0.3665   33.550   0.2943 0.1200000 0.4701000 
1 1 1   31    1    2 o   3.1670   0.5819   3.6840   0.8384   2.6510   0.8072 1.033000 1.164000 
1 1 1   31    1    3 o   13.150   0.3090   13.150   0.3090  ?   ?       ?      ? 
1 1 1   31    1    4 o   10.730   0.3843   10.840   0.5604   10.620   0.5261 0.2200000 0.7687000 
1 1 1   31    1    5 o   27.100   0.2141   27.220   0.2741   26.990   0.3290 0.2229000 0.4282000 
1 1 1   31    1    6 o   29.910   0.2303   29.640   0.2922   30.190   0.3560 -0.5442000 0.4606000 
1 1 1   31    1    7 f   27.650   0.2505   27.940   0.3594   27.360   0.3491 0.5830000 0.5011000 
1 1 1   31    1    8 o   7.5740   0.4117   7.2150   0.6675   7.9330   0.4820 -0.7179000 0.8234000 
1 1 1   31    1    9 o   11.280   0.3022   11.770   0.4569   10.800   0.3956 0.9662000 0.6044000 
1 1 1   31    1   10 o   7.8950   0.3935   8.1700   0.5506   7.6200   0.5622 0.5502000 0.7869000 
1 1 1   31    1   11 o   25.090   0.2159   25.510   0.3067   24.670   0.3039 0.8421000 0.4318000 
1 1 1   31    1   12 o   11.980   0.3456   12.460   0.4732   11.500   0.5038 0.9592000 0.6912000 
1 1 1   31    1   13 f   9.0910   0.3619   8.7960   0.5300   9.3860   0.4929 -0.5904000 0.7238000 
1 1 1   31    1   14 o   8.7100   0.3831   8.4710   0.5597   8.9480   0.5234 -0.4766000 0.7663000 
1 1 1   31    1   15 o   13.240   0.2799   13.430   0.3969   13.050   0.3947 0.3843000 0.5598000 
1 1 1   31    1   16 o   4.1770   0.8478   3.2790   1.2470   5.0750   1.1490 -1.795000 1.696000 
1 1 1   31    1   17 o   7.7920   0.5823   8.2540   0.7767   7.3310   0.8676 0.9227000 1.165000 
1 1 1   31    1   18 o   4.4000   0.7634   4.0470   1.1240   4.7530   1.0330 -0.7061000 1.527000 
1 1 1   31    1   19 o   7.4300   0.4759   8.0570   0.6165   6.8030   0.7253 1.254000 0.9519000 
1 1 1   31    1   20 o   5.3750   0.6455   5.4170   0.9015   5.3340   0.9242 0.8294000E-01 1.291000 
1 1 1   31    1   21 o   2.3550   0.7116   1.8640   0.8883   2.8460   1.1120 -0.9816000 1.423000 
1 1 1   31    1   22 o   3.0910   0.8379   2.9260   1.2090   3.2560   1.1610 -0.3303000 1.676000 
1 1 1   31    1   23 o   4.6460   0.7479   4.1000   1.1440   5.1920   0.9632 -1.091000 1.496000 
1 1 1   31    1   24 o   2.3340   0.7565   2.2660   1.0550   2.4020   1.0850 -0.1361000 1.513000 
1 1 1   31    1   25 o   2.4370   0.7221   3.0770   1.1550   1.7960   0.8667 1.281000 1.444000 
1 1 1   31    1   26 o   2.2140   0.7104   2.2330   1.0110   2.1960   0.9983 0.3743000E-01 1.421000 
1 1 1   31    1   27 o   3.7270   0.8437   3.7280   1.1980   3.7260   1.1880 0.2399000E-02 1.687000 
1 1 1   31    1   28 f   2.8970   1.3540   2.8970   1.3540  ?   ?       ?      ? 
1 1 1   31    3    0 o   13.320   0.1771   14.140   0.2318   12.500   0.2679 1.640000 0.3542000 
1 1 1   31    3    1 o   61.680   0.3602   61.700   0.5095   61.660   0.5092 0.4798000E-01 0.7203000 
1 1 1   31    3    2 o   17.590   0.1711   17.950   0.2229   17.230   0.2597 0.7255000 0.3422000 
1 1 1   31    3    3 o   10.050   0.2176   10.420   0.2838   9.6790   0.3298 0.7441000 0.4351000 
1 1 1   31    3    4 o   18.930   0.2573   18.590   0.3116   19.270   0.4094 -0.6816000 0.5145000 
1 1 1   31    3    5 o   47.900   0.3229   48.160   0.4119   47.650   0.4972 0.5069000 0.6457000 
1 1 1   31    3    6 o   4.0380   0.5715   3.1610   0.9329   4.9150   0.6604 -1.754000 1.143000 
1 1 1   31    3    7 o   33.310   0.2249   33.070   0.3173   33.550   0.3189 -0.4770000 0.4498000 
1 1 1   31    3    8 o   25.100   0.2024   24.790   0.2866   25.410   0.2858 -0.6256000 0.4048000 
1 1 1   31    3    9 o   23.300   0.2323   22.100   0.3631   24.500   0.2899 -2.401000 0.4646000 
1 1 1   31    3   10 o   29.450   0.3296   29.710   0.5813   29.200   0.3108 0.5054000 0.6592000 
1 1 1   31    3   11 o   4.6550   0.8264   4.3170   1.3920   4.9930   0.8913 -0.6767000 1.653000 
1 1 1   31    3   12 o   14.080   0.3250   14.220   0.4693   13.930   0.4496 0.2903000 0.6499000 
1 1 1   31    3   13 o   7.1580   0.4334   7.6190   0.5326   6.6960   0.6840 0.9233000 0.8669000 
1 1 1   31    3   14 o   8.1920   0.3793   7.4570   0.5450   8.9260   0.5277 -1.469000 0.7586000 
1 1 1   31    3   15 o   3.0990   0.7306   3.7290   1.0210   2.4700   1.0460 1.259000 1.461000 
1 1 1   31    3   16 o   12.480   0.3306   12.630   0.4237   12.340   0.5075 0.2939000 0.6612000 
1 1 1   31    3   17 o   5.3520   0.7351   5.3120   0.9300   5.3920   1.1390 -0.7982000E-01 1.470000 
1 1 1   31    3   18 o   4.0100   0.7499   3.7340   1.0420   4.2850   1.0790 -0.5510000 1.500000 
1 1 1   31    3   19 o   2.6000   0.7416   2.7410   1.0430   2.4580   1.0540 0.2827000 1.483000 
1 1 1   31    3   20 o   5.2860   0.6556   5.1340   0.9503   5.4380   0.9033 -0.3032000 1.311000 
1 1 1   31    3   21 o   2.7580   0.7681   3.2090   1.1470   2.3080   1.0220 0.9009000 1.536000 
1 1 1   31    3   22 o   2.4140   0.7339   2.5090   1.0570   2.3200   1.0190 0.1894000 1.468000 
1 1 1   31    3   23 o   2.4520   0.7430   2.7470   1.1170   2.1570   0.9800 0.5903000 1.486000 
1 1 1   31    3   24 o   2.2340   0.7294   1.9360   0.9390   2.5310   1.1170 -0.5950000 1.459000 
1 1 1   31    3   25 o   1.5590   0.5483   1.3530   0.6862   1.7660   0.8552 -0.4132000 1.097000 
1 1 1   31    3   26 o   3.1970   0.8265   3.2350   1.1680   3.1590   1.1690 0.7631000E-01 1.653000 
1 1 1   31    3   27 o   2.6880   0.7893   2.5410   1.0870   2.8360   1.1440 -0.2954000 1.579000 
1 1 1   31    5    0 o   38.180   0.2585   38.270   0.3308   38.100   0.3973 0.1757000 0.5170000 
1 1 1   31    5    1 o   39.960   0.2705   40.130   0.3465   39.790   0.4154 0.3417000 0.5410000 
1 1 1   31    5    2 o   28.350   0.2098   28.600   0.2722   28.110   0.3192 0.4909000 0.4195000 
1 1 1   31    5    3 o   31.120   0.3048   30.940   0.3594   31.310   0.4925 -0.3753000 0.6096000 
1 1 1   31    5    4 o   5.8750   0.4339   6.6110   0.4521   5.1380   0.7407 1.473000 0.8678000 
1 1 1   31    5    5 o   31.550   0.2131   31.630   0.3026   31.460   0.3001 0.1697000 0.4262000 
1 1 1   31    5    6 o   2.4870   0.6347   1.8170   0.8222   3.1570   0.9673 -1.340000 1.269000 
1 1 1   31    5    7 o   27.840   0.2087   27.730   0.2963   27.950   0.2940 -0.2144000 0.4174000 
1 1 1   31    5    8 f   19.160   0.2353   19.140   0.3737   19.180   0.2861 -0.3832000E-01 0.4706000 
1 1 1   31    5    9 o   24.500   0.2102   24.560   0.3016   24.440   0.2930 0.1146000 0.4205000 
1 1 1   31    5   10 o   6.6990   0.4805   6.8230   0.7217   6.5760   0.6346 0.2468000 0.9610000 
1 1 1   31    5   11 o   12.880   0.2893   13.190   0.4394   12.570   0.3763 0.6152000 0.5786000 
1 1 1   31    5   12 o   19.170   0.3785   18.590   0.6496   19.750   0.3889 -1.163000 0.7571000 
1 1 1   31    5   13 o   9.7420   0.5363   10.470   0.9410   9.0120   0.5149 1.461000 1.073000 
1 1 1   31    5   14 o   5.9350   0.8779   5.4980   1.5940   6.3730   0.7367 -0.8749000 1.756000 
1 1 1   31    5   15 o   3.1810   0.9433   4.1430   1.5860   2.2200   1.0210 1.923000 1.887000 
1 1 1   31    5   16 o   13.430   0.3317   12.740   0.4352   14.110   0.5007 -1.372000 0.6634000 
1 1 1   31    5   17 o   9.3760   0.3534   9.2000   0.4765   9.5510   0.5221 -0.3510000 0.7068000 
1 1 1   31    5   18 o   7.0770   0.4551   7.1610   0.5841   6.9930   0.6981 0.1681000 0.9102000 
1 1 1   31    5   19 o   5.0470   0.6325   4.8660   0.8617   5.2270   0.9262 -0.3615000 1.265000 
1 1 1   31    5   20 o   6.3420   0.5042   5.8460   0.7196   6.8380   0.7064 -0.9921000 1.008000 
1 1 1   31    5   21 o   1.8950   0.6304   1.6040   0.7796   2.1860   0.9908 -0.5820000 1.261000 
1 1 1   31    5   22 o   3.0550   0.7744   3.3120   1.0830   2.7970   1.1070 0.5154000 1.549000 
1 1 1   31    5   23 o   2.5650   0.7572   2.7810   1.1210   2.3500   1.0190 0.4312000 1.514000 
1 1 1   31    5   24 o   2.2130   0.7180   1.8920   0.9012   2.5350   1.1180 -0.6421000 1.436000 
1 1 1   31    5   25 o   3.8820   0.7911   3.5570   1.1300   4.2080   1.1080 -0.6510000 1.582000 
1 1 1   31    5   26 o   2.3610   0.7091   2.8370   1.0970   1.8840   0.8986 0.9528000 1.418000 
1 1 1   31    5   27 o   2.7960   0.8296   2.2440   1.0230   3.3480   1.3060 -1.104000 1.659000 
1 1 1   31    7    0 o   17.100   0.2008   17.620   0.3006   16.580   0.2664 1.045000 0.4017000 
1 1 1   31    7    1 o   20.260   0.1839   20.250   0.2427   20.260   0.2762 -0.1849000E-01 0.3677000 
1 1 1   31    7    2 o   16.960   0.2251   16.830   0.3197   17.090   0.3171 -0.2519000 0.4503000 
1 1 1   31    7    3 o   23.800   0.3082   23.800   0.3082  ?   ?       ?      ? 
1 1 1   31    7    4 o   15.420   0.2065   15.550   0.3076   15.300   0.2758 0.2489000 0.4131000 
1 1 1   31    7    5 o   13.960   0.2091   14.040   0.2937   13.890   0.2978 0.1551000 0.4183000 
1 1 1   31    7    6 o   4.7030   0.5451   4.8160   0.7338   4.5910   0.8064 0.2244000 1.090000 
1 1 1   31    7    7 o   14.090   0.2298   14.380   0.3250   13.790   0.3249 0.5927000 0.4596000 
1 1 1   31    7    8 o   28.980   0.2200   28.900   0.3132   29.070   0.3090 -0.1662000 0.4399000 
1 1 1   31    7    9 f   6.5180   0.4959   6.4520   0.7590   6.5850   0.6384 -0.1336000 0.9918000 
1 1 1   31    7   10 o   6.8310   0.4545   6.5970   0.6882   7.0640   0.5939 -0.4661000 0.9090000 
1 1 1   31    7   11 o   6.8770   0.6278   7.6580   0.8283   6.0970   0.9437 1.562000 1.256000 
1 1 1   31    7   12 o   3.7710   0.7700   3.3700   1.1280   4.1720   1.0490 -0.8018000 1.540000 
1 1 1   31    7   13 o   11.160   0.3090   11.460   0.4355   10.860   0.4386 0.6038000 0.6180000 
1 1 1   31    7   14 o   15.530   0.2788   15.340   0.3741   15.720   0.4135 -0.3823000 0.5576000 
1 1 1   31    7   15 o   4.2100   0.8888   3.1430   1.4150   5.2770   1.0760 -2.134000 1.778000 
1 1 1   31    7   16 o   3.7450   1.0060   3.8680   1.5640   3.6220   1.2660 0.2455000 2.012000 
1 1 1   31    7   17 o   6.1700   0.9005   5.1530   1.6770   7.1870   0.6559 -2.034000 1.801000 
1 1 1   31    7   18 o   3.9890   0.9060   3.4580   1.4830   4.5200   1.0410 -1.062000 1.812000 
1 1 1   31    7   19 o   3.0050   0.8031   2.7700   1.1230   3.2400   1.1480 -0.4699000 1.606000 
1 1 1   31    7   20 o   2.4650   0.7342   2.3550   0.9964   2.5750   1.0790 -0.2196000 1.468000 
1 1 1   31    7   21 o   4.4070   0.7139   4.9040   0.8769   3.9100   1.1270 0.9946000 1.428000 
1 1 1   31    7   22 o   5.6890   0.5805   6.1380   0.7209   5.2390   0.9100 0.8994000 1.161000 
1 1 1   31    7   23 o   3.1120   0.8665   2.8220   1.1880   3.4020   1.2620 -0.5800000 1.733000 
1 1 1   31    7   24 o   2.6630   0.7642   2.6020   1.0660   2.7250   1.0950 -0.1229000 1.528000 
1 1 1   31    7   25 o   3.3770   0.8128   3.1400   1.1400   3.6140   1.1590 -0.4734000 1.626000 
1 1 1   31    7   26 o   2.2850   0.7148   2.0040   0.9332   2.5670   1.0830 -0.5635000 1.430000 
1 1 1   31    7   27 o   2.5720   0.8376   2.9460   1.2800   2.1970   1.0810 0.7487000 1.675000 
1 1 1   31    9    0 o   10.090   0.2728   9.9670   0.4134   10.210   0.3562 -0.2468000 0.5457000 
1 1 1   31    9    1 o   25.110   0.2219   24.930   0.3413   25.290   0.2836 -0.3596000 0.4438000 
1 1 1   31    9    2 o   18.470   0.1869   18.640   0.2637   18.300   0.2649 0.3458000 0.3738000 
1 1 1   31    9    3 o   23.070   0.1945   22.990   0.2743   23.150   0.2759 -0.1668000 0.3891000 
1 1 1   31    9    4 o   17.690   0.1998   17.670   0.2798   17.720   0.2853 -0.5009000E-01 0.3997000 
1 1 1   31    9    5 o   14.380   0.2260   14.520   0.3180   14.240   0.3213 0.2777000 0.4521000 
1 1 1   31    9    6 o   19.660   0.2062   19.510   0.2928   19.820   0.2903 -0.3137000 0.4124000 
1 1 1   31    9    7 o   4.4860   0.6893   4.7010   0.9927   4.2710   0.9566 0.4306000 1.379000 
1 1 1   31    9    8 o   19.250   0.2332   19.580   0.3535   18.910   0.3044 0.6665000 0.4665000 
1 1 1   31    9    9 o   21.570   0.2176   21.550   0.3109   21.590   0.3044 -0.4247000E-01 0.4351000 
1 1 1   31    9   10 o   2.4330   0.7685   2.4230   1.0840   2.4420   1.0900 -0.1869000E-01 1.537000 
1 1 1   31    9   11 o   10.970   0.3118   11.320   0.4307   10.620   0.4510 0.6957000 0.6236000 
1 1 1   31    9   12 o   8.4450   0.3947   8.2160   0.5826   8.6740   0.5326 -0.4575000 0.7893000 
1 1 1   31    9   13 o   7.8290   0.4761   7.9500   0.6263   7.7080   0.7171 0.2423000 0.9521000 
1 1 1   31    9   14 o   16.810   0.2595   16.540   0.3745   17.080   0.3592 -0.5422000 0.5190000 
1 1 1   31    9   15 o   15.320   0.3393   15.360   0.5035   15.280   0.4552 0.8229000E-01 0.6787000 
1 1 1   31    9   16 o   4.0220   0.7997   4.0740   1.1550   3.9710   1.1070 0.1032000 1.599000 
1 1 1   31    9   17 f   8.5210   0.4158   8.2060   0.6302   8.8350   0.5425 -0.6294000 0.8316000 
1 1 1   31    9   18 o   7.5510   0.5701   6.8710   0.9745   8.2310   0.5919 -1.361000 1.140000 
1 1 1   31    9   19 o   2.8400   0.8980   3.8260   1.5640   1.8540   0.8833 1.972000 1.796000 
1 1 1   31    9   20 o   2.4070   0.7885   2.4720   1.2000   2.3410   1.0230 0.1306000 1.577000 
1 1 1   31    9   21 o   2.3470   0.7931   2.7040   1.2840   1.9910   0.9308 0.7129000 1.586000 
1 1 1   31    9   22 o   2.2220   0.7502   2.5690   1.2070   1.8740   0.8911 0.6952000 1.500000 
1 1 1   31    9   23 o   3.0020   0.8230   3.9620   1.3190   2.0420   0.9843 1.920000 1.646000 
1 1 1   31    9   24 o   2.1130   0.6792   1.8450   0.8794   2.3820   1.0350 -0.5365000 1.358000 
1 1 1   31    9   25 o   2.5560   0.7437   2.0240   0.9418   3.0880   1.1510 -1.064000 1.487000 
1 1 1   31    9   26 o   2.4800   0.7837   2.2850   1.0490   2.6740   1.1640 -0.3891000 1.567000 
1 1 1   31   11    0 o   5.6580   0.4128   5.6660   0.6095   5.6510   0.5568 0.1481000E-01 0.8256000 
1 1 1   31   11    1 o   7.4970   0.3212   7.8360   0.4492   7.1570   0.4593 0.6795000 0.6424000 
1 1 1   31   11    2 o   30.730   0.2074   30.530   0.3094   30.930   0.2764 -0.4014000 0.4149000 
1 1 1   31   11    3 o   17.330   0.1994   17.030   0.2946   17.640   0.2688 -0.6157000 0.3988000 
1 1 1   31   11    4 o   12.650   0.2672   12.490   0.4025   12.810   0.3515 -0.3205000 0.5344000 
1 1 1   31   11    5 o   12.960   0.2692   12.890   0.4040   13.040   0.3559 -0.1478000 0.5384000 
1 1 1   31   11    6 o   29.970   0.2281   29.730   0.3222   30.210   0.3229 -0.4840000 0.4562000 
1 1 1   31   11    7 o   16.480   0.2309   16.580   0.3291   16.370   0.3240 0.2109000 0.4618000 
1 1 1   31   11    8 o   10.100   0.3176   10.480   0.4427   9.7220   0.4554 0.7553000 0.6351000 
1 1 1   31   11    9 o   14.500   0.3357   14.450   0.4794   14.540   0.4701 -0.9679000E-01 0.6715000 
1 1 1   31   11   10 o   4.0680   0.7407   3.7620   1.0930   4.3750   0.9998 -0.6130000 1.481000 
1 1 1   31   11   11 o   8.7070   0.3819   8.3330   0.5567   9.0820   0.5230 -0.7485000 0.7639000 
1 1 1   31   11   12 f   19.600   0.2565   19.530   0.3330   19.680   0.3902 -0.1577000 0.5129000 
1 1 1   31   11   13 o   4.2970   0.7287   5.1800   0.9094   3.4150   1.1390 1.765000 1.457000 
1 1 1   31   11   14 o   9.7840   0.4533   10.160   0.6386   9.4070   0.6436 0.7555000 0.9067000 
1 1 1   31   11   15 o   5.0450   0.6738   4.4870   1.0480   5.6040   0.8475 -1.117000 1.348000 
1 1 1   31   11   16 o   2.4600   0.7397   2.5050   1.0620   2.4140   1.0300 0.9126000E-01 1.479000 
1 1 1   31   11   17 o   3.7760   0.8000   4.0820   1.1360   3.4690   1.1270 0.6128000 1.600000 
1 1 1   31   11   18 o   6.3790   0.5564   6.6010   0.8039   6.1560   0.7695 0.4444000 1.113000 
1 1 1   31   11   19 o   2.8230   0.7935   3.0290   1.1730   2.6160   1.0690 0.4132000 1.587000 
1 1 1   31   11   20 o   3.5410   0.8205   4.0170   1.1890   3.0650   1.1310 0.9520000 1.641000 
1 1 1   31   11   21 o   3.4920   0.8574   3.4590   1.2840   3.5240   1.1370 -0.6490000E-01 1.715000 
1 1 1   31   11   22 o   3.6790   1.0810   4.2020   1.7500   3.1570   1.2710 1.045000 2.163000 
1 1 1   31   11   23 o   2.6250   0.8639   2.9210   1.3850   2.3290   1.0330 0.5921000 1.728000 
1 1 1   31   11   24 o   2.4690   0.7917   2.2750   1.1400   2.6620   1.0990 -0.3871000 1.583000 
1 1 1   31   11   25 o   1.9270   0.6962   2.2870   1.1450   1.5680   0.7925 0.7189000 1.392000 
1 1 1   31   13    0 o   6.8490   0.4171   6.9230   0.6019   6.7750   0.5778 0.1471000 0.8343000 
1 1 1   31   13    1 o   22.700   0.2240   22.770   0.3372   22.620   0.2950 0.1475000 0.4480000 
1 1 1   31   13    2 f   6.5330   0.4838   5.7500   0.7981   7.3160   0.5469 -1.566000 0.9675000 
1 1 1   31   13    3 o   12.800   0.2450   13.030   0.3595   12.570   0.3331 0.4566000 0.4901000 
1 1 1   31   13    4 o   2.6020   0.7138   2.9310   1.0620   2.2730   0.9545 0.6578000 1.428000 
1 1 1   31   13    5 o   12.820   0.2673   12.820   0.3771   12.830   0.3789 -0.8244000E-02 0.5346000 
1 1 1   31   13    6 o   14.340   0.2527   13.910   0.3631   14.770   0.3515 -0.8635000 0.5054000 
1 1 1   31   13    7 o   13.800   0.3434   13.210   0.4793   14.400   0.4920 -1.191000 0.6868000 
1 1 1   31   13    8 o   10.810   0.3654   10.750   0.5647   10.870   0.4639 -0.1220000 0.7308000 
1 1 1   31   13    9 o   14.880   0.2789   14.290   0.3726   15.470   0.4152 -1.181000 0.5579000 
1 1 1   31   13   10 o   4.0570   0.7926   3.7460   1.1120   4.3690   1.1300 -0.6227000 1.585000 
1 1 1   31   13   11 o   11.490   0.3123   12.080   0.4253   10.910   0.4576 1.171000 0.6247000 
1 1 1   31   13   12 o   8.3790   0.4003   8.2970   0.5765   8.4600   0.5555 -0.1630000 0.8006000 
1 1 1   31   13   13 o   5.2910   0.8061   5.1610   1.1910   5.4210   1.0870 -0.2600000 1.612000 
1 1 1   31   13   14 o   2.0830   0.6774   2.1010   0.9636   2.0650   0.9524 0.3631000E-01 1.355000 
1 1 1   31   13   15 o   3.0400   0.7541   3.8260   1.1300   2.2540   0.9990 1.572000 1.508000 
1 1 1   31   13   16 o   4.2890   0.7558   4.1810   1.1080   4.3960   1.0280 -0.2147000 1.512000 
1 1 1   31   13   17 o   4.8280   0.7005   3.8530   1.1440   5.8030   0.8091 -1.949000 1.401000 
1 1 1   31   13   18 o   3.9680   0.7918   4.0430   1.1280   3.8940   1.1110 0.1492000 1.584000 
1 1 1   31   13   19 o   5.7200   0.6571   5.5840   1.0360   5.8560   0.8085 -0.2714000 1.314000 
1 1 1   31   13   20 o   2.1350   0.7006   2.3080   1.0590   1.9610   0.9176 0.3471000 1.401000 
1 1 1   31   13   21 o   5.1110   0.8905   5.6430   1.2050   4.5780   1.3120 1.065000 1.781000 
1 1 1   31   13   22 o   4.0270   0.8337   3.9070   1.1940   4.1460   1.1630 -0.2392000 1.667000 
1 1 1   31   13   23 f   2.9460   0.7781   2.2680   1.0370   3.6240   1.1610 -1.356000 1.556000 
1 1 1   31   13   24 o   2.2780   0.7424   2.0460   0.9683   2.5100   1.1260 -0.4641000 1.485000 
1 1 1   31   15    0 o   11.220   0.2630   11.400   0.3848   11.040   0.3587 0.3630000 0.5261000 
1 1 1   31   15    1 o   8.9210   0.3242   8.7510   0.4889   9.0900   0.4260 -0.3391000 0.6485000 
1 1 1   31   15    2 o   15.300   0.2287   15.350   0.3430   15.250   0.3026 0.1014000 0.4574000 
1 1 1   31   15    3 o   8.5460   0.3475   8.6520   0.5192   8.4390   0.4620 0.2127000 0.6950000 
1 1 1   31   15    4 o   7.0880   0.4603   6.8360   0.6443   7.3400   0.6575 -0.5043000 0.9205000 
1 1 1   31   15    5 o   14.470   0.3064   13.960   0.4621   14.980   0.4023 -1.023000 0.6127000 
1 1 1   31   15    6 o   9.1020   0.3644   8.6330   0.5301   9.5720   0.5003 -0.9390000 0.7289000 
1 1 1   31   15    7 o   6.9740   0.5070   5.9580   0.7698   7.9910   0.6601 -2.033000 1.014000 
1 1 1   31   15    8 o   2.4030   0.7276   2.4070   1.0250   2.4000   1.0320 0.6939000E-02 1.455000 
1 1 1   31   15    9 o   3.4720   0.7910   3.6830   1.1030   3.2620   1.1340 0.4208000 1.582000 
1 1 1   31   15   10 o   5.6800   0.5869   5.6230   0.8278   5.7380   0.8323 -0.1149000 1.174000 
1 1 1   31   15   11 o   7.5410   0.7662  ?   ?    7.5410   0.7662      ?      ? 
1 1 1   31   15   12 o   12.130   0.3097   11.710   0.4502   12.540   0.4254 -0.8300000 0.6194000 
1 1 1   31   15   13 o   6.6950   0.5088   6.8870   0.7126   6.5040   0.7263 0.3831000 1.018000 
1 1 1   31   15   14 o   10.530   0.3460   10.070   0.5115   10.980   0.4660 -0.9039000 0.6919000 
1 1 1   31   15   15 o   3.1230   0.7221   2.0690   0.9595   4.1770   1.0790 -2.108000 1.444000 
1 1 1   31   15   16 o   2.4460   0.7338   2.8900   1.1340   2.0020   0.9309 0.8884000 1.468000 
1 1 1   31   15   17 o   2.4270   0.7321   2.1770   0.9910   2.6770   1.0780 -0.4999000 1.464000 
1 1 1   31   15   18 o   3.4820   0.8431   3.5550   1.2470   3.4080   1.1350 0.1469000 1.686000 
1 1 1   31   15   19 o   2.0270   0.6681   2.2530   1.0190   1.8010   0.8645 0.4526000 1.336000 
1 1 1   31   15   20 o   2.7820   0.8467   2.6280   1.1740   2.9370   1.2200 -0.3089000 1.693000 
1 1 1   31   15   21 o   2.2840   0.7151   2.7970   1.1450   1.7700   0.8568 1.027000 1.430000 
1 1 1   31   15   22 o   1.9300   0.6504   1.8600   0.9017   1.9990   0.9377 -0.1393000 1.301000 
1 1 1   31   15   23 o   1.6950   0.5943   1.6750   0.8300   1.7150   0.8508 -0.4034000E-01 1.189000 
1 1 1   31   17    0 o   12.300   0.3229   12.080   0.4923   12.520   0.4179 -0.4313000 0.6457000 
1 1 1   31   17    1 o   11.570   0.3749   10.770   0.5558   12.370   0.5034 -1.600000 0.7499000 
1 1 1   31   17    2 o   3.4440   0.8063   4.3650   1.1720   2.5220   1.1080 1.842000 1.613000 
1 1 1   31   17    3 o   3.0170   0.7657   3.0740   1.0900   2.9590   1.0760 0.1145000 1.531000 
1 1 1   31   17    4 o   5.5980   0.5468   5.1220   0.8783   6.0740   0.6517 -0.9521000 1.094000 
1 1 1   31   17    5 o   10.520   0.3102   10.070   0.4783   10.980   0.3952 -0.9094000 0.6204000 
1 1 1   31   17    6 o   12.000   0.2821   11.870   0.4238   12.130   0.3725 -0.2667000 0.5642000 
1 1 1   31   17    7 o   2.8370   0.7513   2.5060   1.0450   3.1680   1.0800 -0.6620000 1.503000 
1 1 1   31   17    8 o   3.9190   0.7732   3.4250   1.1240   4.4130   1.0620 -0.9875000 1.546000 
1 1 1   31   17    9 o   5.8330   0.7507   5.3820   1.1550   6.2840   0.9588 -0.9023000 1.501000 
1 1 1   31   17   10 o   4.2530   0.7751   4.1490   1.0890   4.3570   1.1040 -0.2079000 1.550000 
1 1 1   31   17   11 o   4.5730   0.7408   4.0560   1.1060   5.0890   0.9853 -1.033000 1.482000 
1 1 1   31   17   12 f   2.7050   0.7659   2.5880   1.0670   2.8210   1.0990 -0.2330000 1.532000 
1 1 1   31   17   13 o   3.5780   0.8010   3.6700   1.1360   3.4850   1.1290 0.1854000 1.602000 
1 1 1   31   17   14 o   3.3980   0.7799   2.7080   1.1070   4.0880   1.0990 -1.380000 1.560000 
1 1 1   31   17   15 o   4.7010   0.7298   4.7310   1.0540   4.6700   1.0090 0.6050000E-01 1.460000 
1 1 1   31   17   16 o   2.5910   0.7793   2.8770   1.1810   2.3040   1.0170 0.5728000 1.559000 
1 1 1   31   17   17 o   3.6080   0.8177   3.4050   1.1930   3.8100   1.1180 -0.4052000 1.635000 
1 1 1   31   17   18 o   6.3930   0.5802   6.0000   0.8994   6.7860   0.7331 -0.7868000 1.160000 
1 1 1   31   17   19 o   2.3890   0.7815   2.6510   1.1870   2.1270   1.0170 0.5239000 1.563000 
1 1 1   31   17   20 o   2.4850   0.7580   2.7230   1.1330   2.2480   1.0070 0.4758000 1.516000 
1 1 1   31   17   21 o   2.9690   0.8166   3.6120   1.2370   2.3260   1.0660 1.285000 1.633000 
1 1 1   31   17   22 o   1.8440   0.9203   1.8440   0.9203  ?   ?       ?      ? 
1 1 1   31   19    0 o   4.8730   0.6201   4.0450   1.0280   5.7010   0.6943 -1.655000 1.240000 
1 1 1   31   19    1 o   7.4060   0.4079   6.8570   0.6398   7.9560   0.5061 -1.098000 0.8158000 
1 1 1   31   19    2 o   10.920   0.2974   10.870   0.4465   10.980   0.3928 -0.1068000 0.5947000 
1 1 1   31   19    3 o   4.0060   0.6995   4.6610   0.9352   3.3500   1.0400 1.312000 1.399000 
1 1 1   31   19    4 o   7.0660   0.4403   6.5370   0.6813   7.5960   0.5579 -1.058000 0.8806000 
1 1 1   31   19    5 o   4.6620   0.6470   5.3390   0.8413   3.9840   0.9832 1.355000 1.294000 
1 1 1   31   19    6 o   12.150   0.3530   11.730   0.5593   12.570   0.4309 -0.8401000 0.7060000 
1 1 1   31   19    7 o   7.1080   0.5800   6.5360   0.9541   7.6800   0.6598 -1.144000 1.160000 
1 1 1   31   19    8 o   9.2440   0.3665   8.4600   0.5785   10.030   0.4502 -1.568000 0.7330000 
1 1 1   31   19    9 o   9.4940   0.3542   9.0490   0.5394   9.9380   0.4591 -0.8893000 0.7083000 
1 1 1   31   19   10 o   2.5170   0.7510   2.3300   1.0240   2.7030   1.0990 -0.3727000 1.502000 
1 1 1   31   19   11 o   2.8770   0.7560   2.0140   0.9383   3.7410   1.1860 -1.727000 1.512000 
1 1 1   31   19   12 o   4.5040   0.7649   3.9570   1.1370   5.0500   1.0240 -1.093000 1.530000 
1 1 1   31   19   13 o   6.1920   0.6157   6.8850   0.8287   5.4990   0.9109 1.385000 1.231000 
1 1 1   31   19   14 o   4.0790   0.7784   3.2010   1.2220   4.9570   0.9650 -1.756000 1.557000 
1 1 1   31   19   15 o   2.5650   0.7614   2.4780   1.0750   2.6520   1.0790 -0.1740000 1.523000 
1 1 1   31   19   16 o   3.0530   0.7970   2.5850   1.1000   3.5200   1.1540 -0.9355000 1.594000 
1 1 1   31   19   17 o   2.6830   0.8293   3.1040   1.2740   2.2630   1.0620 0.8409000 1.659000 
1 1 1   31   19   18 o   2.1440   0.6977   2.2050   1.0110   2.0820   0.9617 0.1228000 1.395000 
1 1 1   31   19   19 o   2.3770   0.7504   2.4680   1.0770   2.2860   1.0450 0.1822000 1.501000 
1 1 1   31   19   20 o   2.1520   0.7014   2.5870   1.1140   1.7170   0.8518 0.8704000 1.403000 
1 1 1   31   21    0 o   2.6900   0.7889   2.9570   1.1210   2.4220   1.1110 0.5357000 1.578000 
1 1 1   31   21    1 o   10.100   0.4616   10.610   0.5965   9.5940   0.7047 1.015000 0.9232000 
1 1 1   31   21    2 o   3.4440   0.8842   2.6610   1.1520   4.2280   1.3420 -1.567000 1.768000 
1 1 1   31   21    3 o   3.0870   0.8297   3.0250   1.2210   3.1490   1.1230 -0.1240000 1.659000 
1 1 1   31   21    4 o   2.9120   0.7572   3.4130   1.1340   2.4120   1.0040 1.001000 1.514000 
1 1 1   31   21    5 o   3.2400   0.7375   4.1120   1.0880   2.3680   0.9959 1.744000 1.475000 
1 1 1   31   21    6 o   7.6510   0.4225   7.9120   0.6232   7.3900   0.5706 0.5225000 0.8450000 
1 1 1   31   21    7 o   3.4680   0.7776   3.2420   1.1420   3.6950   1.0550 -0.4528000 1.555000 
1 1 1   31   21    8 o   9.6340   0.3550   9.5810   0.5353   9.6880   0.4665 -0.1064000 0.7100000 
1 1 1   31   21    9 o   3.8280   0.7300   2.6380   1.1680   5.0180   0.8766 -2.380000 1.460000 
1 1 1   31   21   10 o   2.1260   0.6953   2.1410   1.0010   2.1110   0.9653 0.3064000E-01 1.391000 
1 1 1   31   21   11 o   2.4150   0.7520   2.3250   1.0580   2.5040   1.0690 -0.1784000 1.504000 
1 1 1   31   21   12 o   3.3290   0.8243   3.7710   1.1750   2.8860   1.1560 0.8850000 1.649000 
1 1 1   31   21   13 o   3.2780   0.8443   3.0480   1.1650   3.5070   1.2220 -0.4588000 1.689000 
1 1 1   31   21   14 o   3.5310   0.7967   2.6010   1.1070   4.4610   1.1460 -1.861000 1.593000 
1 1 1   31   21   15 o   4.7030   0.8327   2.9860   1.2540   6.4190   1.0960 -3.434000 1.665000 
1 1 1   31   21   16 o   4.5890   0.7806   5.4850   0.9938   3.6940   1.2040 1.790000 1.561000 
1 1 1   31   21   17 o   2.6000   0.7678   3.1180   1.1760   2.0820   0.9877 1.036000 1.536000 
1 1 1   31   21   18 o   2.0530   0.7159   1.8240   0.9103   2.2830   1.1050 -0.4583000 1.432000 
1 1 1   31   23    0 o   4.6380   0.6782   5.2240   0.9261   4.0530   0.9910 1.171000 1.356000 
1 1 1   31   23    1 o   4.3380   0.7027   4.0650   1.0810   4.6110   0.8986 -0.5455000 1.405000 
1 1 1   31   23    2 o   5.3880   0.5868   5.1970   0.9002   5.5790   0.7530 -0.3825000 1.174000 
1 1 1   31   23    3 o   4.3830   0.7762   4.2820   1.0700   4.4850   1.1250 -0.2031000 1.552000 
1 1 1   31   23    4 o   4.9590   0.8123   4.3380   1.0820   5.5810   1.2110 -1.243000 1.625000 
1 1 1   31   23    5 o   7.8090   0.7813   8.8670   0.6590   6.7510   1.4170 2.116000 1.563000 
1 1 1   31   23    6 f   7.1450   0.5747   7.4120   0.7684   6.8780   0.8549 0.5349000 1.149000 
1 1 1   31   23    7 o   3.3880   0.8020   4.3000   1.2090   2.4750   1.0540 1.825000 1.604000 
1 1 1   31   23    8 o   2.0380   0.6631   2.1580   0.9821   1.9180   0.8913 0.2402000 1.326000 
1 1 1   31   23    9 o   2.1950   0.6841   2.6650   1.0890   1.7250   0.8276 0.9405000 1.368000 
1 1 1   31   23   10 o   1.9990   0.6574   2.1430   0.9821   1.8550   0.8742 0.2880000 1.315000 
1 1 1   31   23   11 o   4.2050   0.7670   3.8810   1.1730   4.5300   0.9890 -0.6488000 1.534000 
1 1 1   31   23   12 o   2.9200   0.8357   2.9840   1.1720   2.8560   1.1910 0.1278000 1.671000 
1 1 1   31   23   13 o   2.6750   0.8306   2.9960   1.2480   2.3540   1.0970 0.6422000 1.661000 
1 1 1   31   23   14 o   2.6240   0.8133   2.2640   1.0330   2.9830   1.2570 -0.7190000 1.627000 
1 1 1   31   23   15 o   3.0480   0.8638   3.0160   1.1830   3.0810   1.2590 -0.6488000E-01 1.728000 
1 1 1   31   25    0 o   2.3470   0.7103   2.0220   0.9508   2.6710   1.0550 -0.6493000 1.421000 
1 1 1   31   25    1 o   2.5150   0.7374   2.7490   1.1010   2.2800   0.9808 0.4692000 1.475000 
1 1 1   31   25    2 o   2.3490   0.7163   2.3390   1.0270   2.3590   0.9986 -0.2001000E-01 1.433000 
1 1 1   31   25    3 o   2.6480   0.7538   2.5400   1.0740   2.7560   1.0580 -0.2158000 1.508000 
1 1 1   31   25    4 o   4.4750   0.7136   4.2620   1.0910   4.6880   0.9199 -0.4258000 1.427000 
1 1 1   31   25    5 o   2.0330   0.6621   2.1740   0.9889   1.8920   0.8809 0.2816000 1.324000 
1 1 1   31   25    6 o   4.9540   0.6872   4.7600   1.0580   5.1490   0.8774 -0.3895000 1.374000 
1 1 1   31   25    7 o   2.8540   0.8063   3.0760   1.1540   2.6320   1.1260 0.4432000 1.613000 
1 1 1   31   25    8 o   2.2480   0.7412   2.1560   0.9876   2.3400   1.1050 -0.1832000 1.482000 
1 1 1   31   25    9 o   2.7700   0.8294   3.3390   1.2800   2.2000   1.0550 1.139000 1.659000 
1 1 1   31   25   10 o   2.1090   0.7194   2.2400   1.0530   1.9790   0.9807 0.2606000 1.439000 
1 1 1   31   25   11 o   2.9700   0.8258   3.0660   1.1790   2.8750   1.1560 0.1917000 1.652000 
1 1 1   31   25   12 o   2.2240   0.7462   2.5800   1.1730   1.8680   0.9231 0.7124000 1.492000 
1 1 1   31   27    0 o   2.3020   0.7067   2.9910   1.1750   1.6140   0.7851 1.377000 1.413000 
1 1 1   31   27    1 o   4.5210   0.7221   3.5720   1.1970   5.4710   0.8075 -1.899000 1.444000 
1 1 1   31   27    2 o   2.1530   0.6712   1.6850   0.8263   2.6210   1.0580 -0.9359000 1.342000 
1 1 1   31   27    3 o   2.0290   0.6595   1.9660   0.9232   2.0920   0.9420 -0.1261000 1.319000 
1 1 1   31   27    4 f   2.8430   0.7924   2.3600   1.0380   3.3260   1.1970 -0.9658000 1.585000 
1 1 1   31   27    5 o   2.3700   0.7714   2.6190   1.1590   2.1220   1.0180 0.4967000 1.543000 
1 1 1   31   27    6 o   2.2760   0.7569   2.1080   1.0060   2.4440   1.1310 -0.3357000 1.514000 
1 1 1   31   27    7 o   2.0670   0.7077   2.3660   1.1100   1.7680   0.8778 0.5984000 1.415000 
1 1 1   32    0    0 o   66.140   0.6661   66.140   0.6661   66.140   0.6661 0.000000 0.000000 
1 1 1   32    0    1 o   53.070   0.4414   53.070   0.4414   53.070   0.4414 0.000000 0.000000 
1 1 1   32    0    2 o   19.560   0.2273   19.560   0.2273   19.560   0.2273 0.000000 0.000000 
1 1 1   32    0    3 o   29.500   0.4902   29.500   0.4902   29.500   0.4902 0.000000 0.000000 
1 1 1   32    0    4 o   5.7080   1.0570   5.7080   1.0570   5.7080   1.0570 0.000000 0.000000 
1 1 1   32    0    5 o   2.1720   1.1080   2.1720   1.1080   2.1720   1.1080 0.000000 0.000000 
1 1 1   32    0    6 o   8.1950   0.4110   8.1950   0.4110   8.1950   0.4110 0.000000 0.000000 
1 1 1   32    0    7 o   24.330   0.2786   24.330   0.2786   24.330   0.2786 0.000000 0.000000 
1 1 1   32    0    8 o   7.1350   0.5522   7.1350   0.5522   7.1350   0.5522 0.000000 0.000000 
1 1 1   32    0    9 o   18.910   0.3615   18.910   0.3615   18.910   0.3615 0.000000 0.000000 
1 1 1   32    0   10 o   18.070   0.3830   18.070   0.3830   18.070   0.3830 0.000000 0.000000 
1 1 1   32    0   11 o   1.3860   0.9720   1.3860   0.9720   1.3860   0.9720 0.000000 0.000000 
1 1 1   32    0   12 o   2.6870   1.4400   2.6870   1.4400   2.6870   1.4400 0.000000 0.000000 
1 1 1   32    0   13 o   1.6410   1.0760   1.6410   1.0760   1.6410   1.0760 0.000000 0.000000 
1 1 1   32    0   14 o   1.1000   0.7926   1.1000   0.7926   1.1000   0.7926 0.000000 0.000000 
1 1 1   32    0   15 o   4.2150   1.2150   4.2150   1.2150   4.2150   1.2150 0.000000 0.000000 
1 1 1   32    0   16 o   15.330   0.7068   15.330   0.7068   15.330   0.7068 0.000000 0.000000 
1 1 1   32    0   17 o   14.050   0.4033   14.050   0.4033   14.050   0.4033 0.000000 0.000000 
1 1 1   32    0   18 o   7.4330   0.6631   7.4330   0.6631   7.4330   0.6631 0.000000 0.000000 
1 1 1   32    0   19 o   6.9180   0.7274   6.9180   0.7274   6.9180   0.7274 0.000000 0.000000 
1 1 1   32    0   20 o   2.8770   1.4010   2.8770   1.4010   2.8770   1.4010 0.000000 0.000000 
1 1 1   32    0   21 o   4.7060   1.1530   4.7060   1.1530   4.7060   1.1530 0.000000 0.000000 
1 1 1   32    0   22 o   1.8120   1.1580   1.8120   1.1580   1.8120   1.1580 0.000000 0.000000 
1 1 1   32    0   23 o   1.9110   1.2020   1.9110   1.2020   1.9110   1.2020 0.000000 0.000000 
1 1 1   32    0   24 f   3.0170   1.5520   3.0170   1.5520   3.0170   1.5520 0.000000 0.000000 
1 1 1   32    0   25 o   2.4910   1.3740   2.4910   1.3740   2.4910   1.3740 0.000000 0.000000 
1 1 1   32    0   26 f   1.3660   0.9555   1.3660   0.9555   1.3660   0.9555 0.000000 0.000000 
1 1 1   32    0   27 o   1.9930   1.2400   1.9930   1.2400   1.9930   1.2400 0.000000 0.000000 
1 1 1   32    2    0 o   22.810   0.1800   22.760   0.2813   22.850   0.2247 -0.9064000E-01 0.3600000 
1 1 1   32    2    1 o   36.610   0.2771   36.850   0.3942   36.370   0.3894 0.4876000 0.5541000 
1 1 1   32    2    2 o   31.590   0.2490   32.260   0.3625   30.910   0.3415 1.353000 0.4980000 
1 1 1   32    2    3 o   30.790   0.2477   30.820   0.3563   30.760   0.3440 0.6003000E-01 0.4953000 
1 1 1   32    2    4 o   14.180   0.3098   14.250   0.5230   14.100   0.3322 0.1470000 0.6195000 
1 1 1   32    2    5 o   31.520   0.2377   31.610   0.3706   31.430   0.2977 0.1815000 0.4754000 
1 1 1   32    2    6 o   32.210   0.2668   31.660   0.3772   32.770   0.3775 -1.106000 0.5336000 
1 1 1   32    2    7 o   26.730   0.2483   26.820   0.3574   26.640   0.3448 0.1759000 0.4966000 
1 1 1   32    2    8 o   5.9370   0.5028   5.9180   0.6584   5.9560   0.7601 -0.3882000E-01 1.006000 
1 1 1   32    2    9 o   9.8200   0.3402   9.8690   0.4391   9.7710   0.5197 0.9867000E-01 0.6803000 
1 1 1   32    2   10 o   15.000   0.2395   15.090   0.3408   14.910   0.3365 0.1796000 0.4789000 
1 1 1   32    2   11 o   22.960   0.2988   23.140   0.5150   22.780   0.3032 0.3545000 0.5976000 
1 1 1   32    2   12 o   10.540   0.3978   11.310   0.5482   9.7730   0.5766 1.542000 0.7956000 
1 1 1   32    2   13 o   8.0460   0.4582   8.2140   0.7063   7.8780   0.5837 0.3355000 0.9163000 
1 1 1   32    2   14 o   12.650   0.3256   12.470   0.5119   12.820   0.4025 -0.3430000 0.6512000 
1 1 1   32    2   15 o   7.6840   0.4408   7.5980   0.6286   7.7700   0.6180 -0.1718000 0.8815000 
1 1 1   32    2   16 o   14.820   0.5007   14.220   0.7348   15.420   0.6804 -1.198000 1.001000 
1 1 1   32    2   17 o   8.2600   0.4216   8.3900   0.5922   8.1290   0.6002 0.2612000 0.8432000 
1 1 1   32    2   18 o   8.6290   0.4050   8.9430   0.5587   8.3160   0.5864 0.6277000 0.8100000 
1 1 1   32    2   19 o   2.6670   0.7494   2.1030   0.9656   3.2320   1.1460 -1.129000 1.499000 
1 1 1   32    2   20 f   2.4420   0.7376   2.1950   0.9866   2.6890   1.0970 -0.4936000 1.475000 
1 1 1   32    2   21 o   4.1030   0.7275   5.2360   0.9135   2.9690   1.1320 2.267000 1.455000 
1 1 1   32    2   22 o   2.4530   0.7250   2.9830   1.1290   1.9230   0.9097 1.060000 1.450000 
1 1 1   32    2   23 o   2.4910   0.7322   3.0930   1.1570   1.8900   0.8976 1.203000 1.464000 
1 1 1   32    2   24 o   2.8030   0.8424   2.8550   1.2020   2.7510   1.1800 0.1046000 1.685000 
1 1 1   32    2   25 o   1.8860   0.6378   1.9920   0.9409   1.7800   0.8614 0.2117000 1.276000 
1 1 1   32    2   26 o   2.4370   0.7508   2.6500   1.1120   2.2250   1.0090 0.4258000 1.502000 
1 1 1   32    2   27 o   2.0090   0.6710   1.8790   0.9062   2.1400   0.9899 -0.2605000 1.342000 
1 1 1   32    4    0 o   19.430   0.1847   19.120   0.2459   19.730   0.2755 -0.6048000 0.3693000 
1 1 1   32    4    1 o   26.340   0.1969   26.310   0.2544   26.370   0.3006 -0.5114000E-01 0.3938000 
1 1 1   32    4    2 o   34.170   0.2164   34.050   0.3051   34.290   0.3069 -0.2421000 0.4327000 
1 1 1   32    4    3 f   8.8300   0.2346   8.8710   0.3310   8.7890   0.3326 0.8170000E-01 0.4692000 
1 1 1   32    4    4 o   10.760   0.3064   10.470   0.3873   11.040   0.4748 -0.5669000 0.6127000 
1 1 1   32    4    5 o   19.380   0.1981   19.140   0.2608   19.610   0.2983 -0.4725000 0.3962000 
1 1 1   32    4    6 o   10.530   0.2702   10.770   0.3447   10.290   0.4162 0.4792000 0.5404000 
1 1 1   32    4    7 o   8.6020   0.3377   8.8960   0.4129   8.3080   0.5345 0.5877000 0.6754000 
1 1 1   32    4    8 o   20.680   0.2029   20.310   0.2869   21.050   0.2870 -0.7440000 0.4058000 
1 1 1   32    4    9 o   26.390   0.2133   26.800   0.3048   25.970   0.2984 0.8291000 0.4265000 
1 1 1   32    4   10 o   20.620   0.2155   20.440   0.3086   20.800   0.3008 -0.3558000 0.4309000 
1 1 1   32    4   11 o   19.740   0.2390   20.220   0.3638   19.270   0.3101 0.9489000 0.4780000 
1 1 1   32    4   12 o   15.630   0.3090   15.820   0.4391   15.450   0.4347 0.3717000 0.6179000 
1 1 1   32    4   13 o   3.4010   0.7918   3.2400   1.1320   3.5620   1.1080 -0.3216000 1.584000 
1 1 1   32    4   14 o   5.2960   0.7143   5.1960   1.1480   5.3970   0.8502 -0.2001000 1.429000 
1 1 1   32    4   15 o   2.6460   0.8169   2.6910   1.1800   2.6000   1.1310 0.9135000E-01 1.634000 
1 1 1   32    4   16 o   7.6030   0.9042   7.4240   1.3750   7.7830   1.1750 -0.3591000 1.808000 
1 1 1   32    4   17 o   12.520   0.3476   12.370   0.5492   12.680   0.4262 -0.3065000 0.6952000 
1 1 1   32    4   18 o   4.0650   0.7113   2.9110   1.0780   5.2180   0.9285 -2.308000 1.423000 
1 1 1   32    4   19 o   2.3930   0.7151   2.5470   1.0210   2.2400   1.0010 0.3074000 1.430000 
1 1 1   32    4   20 o   4.5130   0.7062   4.7350   0.9001   4.2920   1.0880 0.4427000 1.412000 
1 1 1   32    4   21 o   2.1590   0.6765   1.7060   0.8152   2.6120   1.0800 -0.9066000 1.353000 
1 1 1   32    4   22 o   2.3260   0.7083   1.9250   0.8905   2.7270   1.1020 -0.8019000 1.417000 
1 1 1   32    4   23 o   4.0580   0.7963   4.3860   1.1120   3.7290   1.1400 0.6577000 1.593000 
1 1 1   32    4   24 o   3.2620   0.8526   3.3740   1.1700   3.1510   1.2400 0.2233000 1.705000 
1 1 1   32    4   25 o   2.6730   0.7721   2.3350   1.0430   3.0100   1.1390 -0.6747000 1.544000 
1 1 1   32    4   26 o   2.4960   0.7552   2.2440   1.0170   2.7470   1.1170 -0.5022000 1.510000 
1 1 1   32    4   27 o   2.3680   0.7596   2.8870   1.2130   1.8500   0.9143 1.037000 1.519000 
1 1 1   32    6    0 o   13.140   0.1583   13.260   0.2328   13.030   0.2147 0.2225000 0.3166000 
1 1 1   32    6    1 o   6.9110   0.2739   7.2600   0.3682   6.5610   0.4057 0.6991000 0.5479000 
1 1 1   32    6    2 f   13.150   0.1927   13.540   0.2544   12.750   0.2894 0.7821000 0.3854000 
1 1 1   32    6    3 o   21.000   0.2583   21.090   0.3209   20.910   0.4047 0.1766000 0.5165000 
1 1 1   32    6    4 o   33.940   0.2476   33.990   0.3180   33.890   0.3797 0.9390000E-01 0.4952000 
1 1 1   32    6    5 o   18.610   0.2069   18.500   0.2718   18.720   0.3121 -0.2124000 0.4139000 
1 1 1   32    6    6 o   4.9840   0.5316   4.1170   0.8601   5.8520   0.6252 -1.736000 1.063000 
1 1 1   32    6    7 o   22.610   0.2012   22.490   0.2851   22.730   0.2841 -0.2454000 0.4025000 
1 1 1   32    6    8 o   17.750   0.2461   17.600   0.3473   17.900   0.3488 -0.2921000 0.4922000 
1 1 1   32    6    9 o   22.460   0.2273   22.600   0.3468   22.310   0.2938 0.2929000 0.4545000 
1 1 1   32    6   10 o   15.760   0.2505   16.020   0.3778   15.500   0.3291 0.5173000 0.5010000 
1 1 1   32    6   11 o   24.870   0.2752   24.660   0.3944   25.080   0.3839 -0.4211000 0.5504000 
1 1 1   32    6   12 o   12.070   0.2872   11.710   0.4167   12.420   0.3955 -0.7072000 0.5745000 
1 1 1   32    6   13 o   5.1740   0.6230   5.0070   0.9247   5.3400   0.8353 -0.3332000 1.246000 
1 1 1   32    6   14 o   7.6510   0.4350   7.3000   0.6414   8.0030   0.5878 -0.7038000 0.8700000 
1 1 1   32    6   15 o   4.4580   0.7979   4.4990   1.0360   4.4180   1.2130 0.8087000E-01 1.596000 
1 1 1   32    6   16 o   6.0430   0.7569   4.7490   1.2740   7.3370   0.8178 -2.588000 1.514000 
1 1 1   32    6   17 o   7.0990   0.8502   6.4300   1.5810   7.7690   0.6267 -1.339000 1.700000 
1 1 1   32    6   18 o   4.1760   0.8141   3.5340   1.2900   4.8180   0.9932 -1.283000 1.628000 
1 1 1   32    6   19 o   7.3510   0.5428   7.9690   0.8050   6.7320   0.7284 1.236000 1.086000 
1 1 1   32    6   20 o   3.5690   0.8655   3.5630   1.3020   3.5740   1.1410 -0.1108000E-01 1.731000 
1 1 1   32    6   21 o   2.5570   0.7161   3.1560   1.0960   1.9580   0.9217 1.198000 1.432000 
1 1 1   32    6   22 o   2.9830   0.7434   3.6180   1.0680   2.3470   1.0340 1.271000 1.487000 
1 1 1   32    6   23 o   2.7680   0.8256   2.5300   1.1220   3.0060   1.2120 -0.4763000 1.651000 
1 1 1   32    6   24 o   2.5610   0.7209   1.8130   0.8647   3.3080   1.1540 -1.495000 1.442000 
1 1 1   32    6   25 o   3.4410   0.8134   3.1650   1.1360   3.7160   1.1650 -0.5510000 1.627000 
1 1 1   32    6   26 o   2.1180   0.6779   2.4430   1.0430   1.7930   0.8663 0.6508000 1.356000 
1 1 1   32    6   27 o   2.5900   0.8600   2.2240   1.0680   2.9560   1.3480 -0.7316000 1.720000 
1 1 1   32    8    0 o   24.780   0.1854   25.340   0.2629   24.210   0.2613 1.125000 0.3707000 
1 1 1   32    8    1 o   19.680   0.2548   19.880   0.3190   19.470   0.3974 0.4018000 0.5096000 
1 1 1   32    8    2 o   12.350   0.2903   12.970   0.3748   11.730   0.4434 1.241000 0.5806000 
1 1 1   32    8    3 o   9.4770   0.2644   9.2850   0.3728   9.6690   0.3750 -0.3843000 0.5287000 
1 1 1   32    8    4 o   7.9370   0.3197   7.7280   0.4600   8.1450   0.4442 -0.4163000 0.6395000 
1 1 1   32    8    5 o   20.320   0.2121   20.540   0.3187   20.110   0.2798 0.4308000 0.4241000 
1 1 1   32    8    6 f   27.290   0.2114   27.480   0.3006   27.100   0.2974 0.3892000 0.4229000 
1 1 1   32    8    7 o   7.2340   0.3948   7.1470   0.5705   7.3200   0.5459 -0.1726000 0.7896000 
1 1 1   32    8    8 f   13.740   0.2628   13.400   0.3990   14.080   0.3421 -0.6785000 0.5256000 
1 1 1   32    8    9 o   2.4180   0.7124   2.1430   0.9585   2.6920   1.0540 -0.5484000 1.425000 
1 1 1   32    8   10 o   25.760   0.2513   26.050   0.3157   25.470   0.3912 0.5764000 0.5027000 
1 1 1   32    8   11 o   8.5470   0.5062   8.9650   0.6991   8.1280   0.7323 0.8365000 1.012000 
1 1 1   32    8   12 o   4.8860   0.6728   4.6240   1.0240   5.1490   0.8725 -0.5255000 1.346000 
1 1 1   32    8   13 o   5.0800   0.6737   6.0670   0.7911   4.0940   1.0910 1.973000 1.347000 
1 1 1   32    8   14 o   11.820   0.3366   11.500   0.4509   12.140   0.4999 -0.6367000 0.6732000 
1 1 1   32    8   15 o   8.9510   0.5076   8.4240   0.7838   9.4770   0.6451 -1.053000 1.015000 
1 1 1   32    8   16 o   2.7290   0.7759   2.8780   1.1250   2.5800   1.0690 0.2979000 1.552000 
1 1 1   32    8   17 f   3.3530   0.8061   3.1320   1.1430   3.5740   1.1370 -0.4420000 1.612000 
1 1 1   32    8   18 o   4.9650   0.6918   6.0870   0.8150   3.8440   1.1180 2.243000 1.384000 
1 1 1   32    8   19 o   2.8220   0.7729   3.3080   1.1570   2.3350   1.0250 0.9723000 1.546000 
1 1 1   32    8   20 o   3.4230   0.8444   3.0300   1.2610   3.8150   1.1240 -0.7851000 1.689000 
1 1 1   32    8   21 o   3.2930   0.8886   2.9450   1.3570   3.6400   1.1480 -0.6952000 1.777000 
1 1 1   32    8   22 f   3.3120   0.8607   2.8410   1.2980   3.7820   1.1310 -0.9404000 1.721000 
1 1 1   32    8   23 o   2.2460   0.7484   2.5170   1.1490   1.9740   0.9594 0.5429000 1.497000 
1 1 1   32    8   24 o   2.8320   0.8286   3.7210   1.3790   1.9420   0.9184 1.779000 1.657000 
1 1 1   32    8   25 o   2.4780   0.7328   2.9520   1.1270   2.0050   0.9366 0.9463000 1.466000 
1 1 1   32    8   26 o   1.8220   0.6328   1.7690   0.8698   1.8760   0.9193 -0.1071000 1.266000 
1 1 1   32   10    0 o   40.080   0.2818   40.030   0.3599   40.120   0.4337 -0.8211000E-01 0.5636000 
1 1 1   32   10    1 o   7.2110   0.3459   6.9870   0.4917   7.4360   0.4867 -0.4489000 0.6919000 
1 1 1   32   10    2 o   24.990   0.1905   24.710   0.2816   25.260   0.2568 -0.5468000 0.3811000 
1 1 1   32   10    3 o   9.3240   0.2913   9.2430   0.4081   9.4040   0.4158 -0.1611000 0.5826000 
1 1 1   32   10    4 o   15.930   0.2142   15.980   0.3004   15.870   0.3054 0.1107000 0.4284000 
1 1 1   32   10    5 o   9.4380   0.3096   9.6130   0.4300   9.2630   0.4455 0.3494000 0.6192000 
1 1 1   32   10    6 o   2.5540   0.7329   2.8120   1.0940   2.2950   0.9760 0.5164000 1.466000 
1 1 1   32   10    7 o   10.360   0.3042   10.560   0.4331   10.160   0.4272 0.3930000 0.6083000 
1 1 1   32   10    8 o   11.110   0.2961   11.200   0.4225   11.010   0.4149 0.1941000 0.5921000 
1 1 1   32   10    9 o   18.220   0.2921   17.680   0.4225   18.770   0.4034 -1.093000 0.5842000 
1 1 1   32   10   10 o   13.070   0.3510   12.510   0.5057   13.640   0.4870 -1.129000 0.7020000 
1 1 1   32   10   11 o   5.6660   0.5711   5.1950   0.8732   6.1370   0.7363 -0.9422000 1.142000 
1 1 1   32   10   12 o   10.060   0.3644   10.620   0.4534   9.5090   0.5707 1.108000 0.7289000 
1 1 1   32   10   13 o   5.9160   0.5639   5.6640   0.8277   6.1680   0.7661 -0.5045000 1.128000 
1 1 1   32   10   14 o   7.0540   0.6281   6.5190   0.9907   7.5900   0.7723 -1.071000 1.256000 
1 1 1   32   10   15 o   3.0820   0.8728   3.3600   1.2940   2.8040   1.1720 0.5565000 1.746000 
1 1 1   32   10   16 o   3.0390   0.7953   2.6720   1.1050   3.4070   1.1440 -0.7352000 1.591000 
1 1 1   32   10   17 o   4.4680   0.7568   4.9520   1.0260   3.9850   1.1130 0.9677000 1.514000 
1 1 1   32   10   18 o   3.2590   0.8160   3.5140   1.1950   3.0050   1.1120 0.5092000 1.632000 
1 1 1   32   10   19 o   3.4280   0.8031   4.0090   1.1700   2.8480   1.1010 1.161000 1.606000 
1 1 1   32   10   20 o   2.0180   0.6676   2.1660   0.9975   1.8710   0.8875 0.2943000 1.335000 
1 1 1   32   10   21 o   2.3110   0.7326   2.9370   1.2130   1.6840   0.8214 1.252000 1.465000 
1 1 1   32   10   22 o   2.7310   0.8400   2.8440   1.2180   2.6180   1.1570 0.2258000 1.680000 
1 1 1   32   10   23 o   1.9480   0.6500   1.7100   0.8431   2.1860   0.9896 -0.4759000 1.300000 
1 1 1   32   10   24 o   2.4830   0.7959   2.9070   1.2740   2.0590   0.9538 0.8485000 1.592000 
1 1 1   32   10   25 o   2.1680   0.7486   2.1670   1.0900   2.1690   1.0270 -0.2434000E-02 1.497000 
1 1 1   32   12    0 o   14.290   0.2115   13.940   0.3150   14.650   0.2823 -0.7016000 0.4230000 
1 1 1   32   12    1 o   12.300   0.2539   11.390   0.3629   13.220   0.3553 -1.829000 0.5078000 
1 1 1   32   12    2 o   14.670   0.2389   14.690   0.3554   14.640   0.3194 0.5242000E-01 0.4778000 
1 1 1   32   12    3 o   3.1160   0.7673   3.2440   1.1040   2.9870   1.0660 0.2575000 1.535000 
1 1 1   32   12    4 o   18.840   0.2188   18.440   0.3118   19.250   0.3071 -0.8141000 0.4377000 
1 1 1   32   12    5 o   17.080   0.2216   17.080   0.3167   17.090   0.3100 -0.1077000E-01 0.4431000 
1 1 1   32   12    6 o   17.490   0.2281   17.520   0.3205   17.460   0.3246 0.5635000E-01 0.4561000 
1 1 1   32   12    7 o   18.900   0.2258   19.050   0.3196   18.740   0.3190 0.3107000 0.4515000 
1 1 1   32   12    8 o   7.7740   0.5566   6.7930   0.8687   8.7550   0.6960 -1.962000 1.113000 
1 1 1   32   12    9 o   9.1870   0.3596   9.0960   0.5108   9.2770   0.5064 -0.1804000 0.7192000 
1 1 1   32   12   10 o   5.6900   0.6154   5.9220   0.7676   5.4590   0.9622 0.4634000 1.231000 
1 1 1   32   12   11 o   6.1140   0.5770   5.7130   0.8302   6.5150   0.8015 -0.8012000 1.154000 
1 1 1   32   12   12 o   2.7600   0.7628   3.0140   1.1070   2.5060   1.0490 0.5075000 1.526000 
1 1 1   32   12   13 o   6.2360   0.6837   6.0650   1.0210   6.4080   0.9095 -0.3435000 1.367000 
1 1 1   32   12   14 o   5.0640   0.8221   4.4760   1.2730   5.6520   1.0410 -1.175000 1.644000 
1 1 1   32   12   15 o   9.9370   0.3547   9.7990   0.5124   10.070   0.4904 -0.2754000 0.7093000 
1 1 1   32   12   16 o   3.0450   0.7869   2.6800   1.0880   3.4090   1.1380 -0.7293000 1.574000 
1 1 1   32   12   17 o   6.6950   0.5121   7.1500   0.6800   6.2400   0.7658 0.9093000 1.024000 
1 1 1   32   12   18 o   3.2780   0.7994   2.9130   1.1300   3.6440   1.1310 -0.7316000 1.599000 
1 1 1   32   12   19 o   3.1210   0.7957   3.6630   1.1770   2.5790   1.0710 1.084000 1.591000 
1 1 1   32   12   20 o   3.2970   0.7830   2.5460   1.1150   4.0480   1.0990 -1.501000 1.566000 
1 1 1   32   12   21 f   3.7620   0.8936   3.6800   1.2120   3.8440   1.3130 -0.1647000 1.787000 
1 1 1   32   12   22 o   2.9680   0.8440   3.9620   1.4050   1.9740   0.9359 1.988000 1.688000 
1 1 1   32   12   23 f   2.5470   0.7778   2.5710   1.1220   2.5230   1.0780 0.4709000E-01 1.556000 
1 1 1   32   12   24 o   1.6770   0.5914   1.7460   0.8636   1.6080   0.8082 0.1381000 1.183000 
1 1 1   32   14    0 o   10.330   0.2748   10.260   0.4060   10.400   0.3705 -0.1388000 0.5496000 
1 1 1   32   14    1 o   13.030   0.2340   13.000   0.3467   13.060   0.3143 -0.6292000E-01 0.4680000 
1 1 1   32   14    2 o   3.5010   0.7172   3.3750   1.0750   3.6260   0.9498 -0.2512000 1.434000 
1 1 1   32   14    3 o   10.350   0.2842   10.200   0.4275   10.510   0.3746 -0.3059000 0.5685000 
1 1 1   32   14    4 o   6.6860   0.4365   7.3090   0.5812   6.0630   0.6513 1.246000 0.8729000 
1 1 1   32   14    5 o   2.8760   0.7359   3.3200   1.0820   2.4320   0.9973 0.8877000 1.472000 
1 1 1   32   14    6 o   2.6430   0.8085   2.5950   1.1190   2.6900   1.1670 -0.9501000E-01 1.617000 
1 1 1   32   14    7 o   5.9530   0.5377   5.9070   0.7513   5.9990   0.7696 -0.9212000E-01 1.075000 
1 1 1   32   14    8 o   3.6030   0.8072   3.6740   1.0980   3.5320   1.1840 0.1418000 1.614000 
1 1 1   32   14    9 o   7.8900   0.4230   8.6220   0.5359   7.1570   0.6547 1.465000 0.8460000 
1 1 1   32   14   10 o   2.5700   0.7460   2.6120   1.0660   2.5270   1.0440 0.8475000E-01 1.492000 
1 1 1   32   14   11 o   7.1420   0.4636   6.6920   0.6998   7.5920   0.6083 -0.9005000 0.9272000 
1 1 1   32   14   12 o   4.9350   0.8258   5.6190   1.1060   4.2510   1.2270 1.368000 1.652000 
1 1 1   32   14   13 o   11.460   0.3209   11.330   0.4613   11.590   0.4463 -0.2683000 0.6418000 
1 1 1   32   14   14 o   5.0050   0.6721   5.6890   0.8366   4.3210   1.0520 1.368000 1.344000 
1 1 1   32   14   15 o   4.2650   0.6483   6.1100   0.7772   2.4190   1.0380 3.691000 1.297000 
1 1 1   32   14   16 o   5.5210   0.6352   5.4090   0.9207   5.6330   0.8752 -0.2231000 1.270000 
1 1 1   32   14   17 o   4.4090   0.7539   4.1490   1.1270   4.6690   1.0020 -0.5207000 1.508000 
1 1 1   32   14   18 o   4.2320   0.8107   3.9750   1.2510   4.4880   1.0310 -0.5133000 1.621000 
1 1 1   32   14   19 o   5.4740   0.6925   5.2810   1.1060   5.6670   0.8332 -0.3863000 1.385000 
1 1 1   32   14   20 o   4.3930   0.8376   3.5000   1.1870   5.2860   1.1820 -1.786000 1.675000 
1 1 1   32   14   21 o   2.5470   0.7675   2.1300   1.0220   2.9640   1.1450 -0.8344000 1.535000 
1 1 1   32   14   22 o   3.8270   0.8951   3.6210   1.3690   4.0330   1.1530 -0.4111000 1.790000 
1 1 1   32   14   23 f   2.0690   0.6957   2.0580   0.9707   2.0810   0.9969 -0.2375000E-01 1.391000 
1 1 1   32   16    0 o   16.230   0.2202   16.300   0.3269   16.160   0.2952 0.1443000 0.4405000 
1 1 1   32   16    1 o   10.980   0.2751   11.170   0.4035   10.800   0.3740 0.3756000 0.5501000 
1 1 1   32   16    2 o   5.7990   0.5054   6.3930   0.6696   5.2040   0.7573 1.190000 1.011000 
1 1 1   32   16    3 o   15.240   0.2964   15.620   0.4427   14.870   0.3942 0.7507000 0.5928000 
1 1 1   32   16    4 o   5.3450   0.7575   5.4620   1.0410   5.2280   1.1000 0.2331000 1.515000 
1 1 1   32   16    5 o   13.890   0.2647   13.920   0.3725   13.870   0.3761 0.5239000E-01 0.5293000 
1 1 1   32   16    6 o   7.3650   0.4251   7.2630   0.6217   7.4670   0.5800 -0.2041000 0.8503000 
1 1 1   32   16    7 o   5.4310   0.6245   6.0400   0.7599   4.8210   0.9911 1.218000 1.249000 
1 1 1   32   16    8 o   11.460   0.3154   11.380   0.4435   11.540   0.4487 -0.1556000 0.6309000 
1 1 1   32   16    9 o   2.7850   0.7604   3.2190   1.1200   2.3500   1.0280 0.8684000 1.521000 
1 1 1   32   16   10 o   6.7510   0.6558   6.6830   0.9431   6.8190   0.9114 -0.1357000 1.312000 
1 1 1   32   16   11 o   5.8560   0.5867   5.9460   0.8110   5.7670   0.8480 0.1791000 1.173000 
1 1 1   32   16   12 o   9.9700   0.3571   10.310   0.4961   9.6290   0.5138 0.6832000 0.7142000 
1 1 1   32   16   13 o   6.1020   0.5472   6.2630   0.7630   5.9410   0.7846 0.3221000 1.094000 
1 1 1   32   16   14 o   8.1960   0.4253   7.8750   0.6257   8.5170   0.5761 -0.6422000 0.8505000 
1 1 1   32   16   15 o   3.9650   0.7995   3.7930   1.1660   4.1370   1.0940 -0.3445000 1.599000 
1 1 1   32   16   16 o   2.7070   0.7754   2.7290   1.1090   2.6840   1.0840 0.4516000E-01 1.551000 
1 1 1   32   16   17 f   6.6260   0.5857   7.0860   0.8643   6.1650   0.7906 0.9209000 1.171000 
1 1 1   32   16   18 f   2.1530   0.6961   2.1520   0.9910   2.1550   0.9778 -0.3051000E-02 1.392000 
1 1 1   32   16   19 o   2.6620   0.8291   2.7510   1.2030   2.5720   1.1410 0.1798000 1.658000 
1 1 1   32   16   20 f   2.4640   0.7549   2.3140   1.0430   2.6140   1.0910 -0.2998000 1.510000 
1 1 1   32   16   21 o   2.6590   0.7874   2.4910   1.0900   2.8260   1.1370 -0.3346000 1.575000 
1 1 1   32   16   22 o   2.6010   0.8000   2.2530   1.0380   2.9500   1.2180 -0.6973000 1.600000 
1 1 1   32   18    0 o   5.9470   0.6743   4.7120   0.9488   7.1810   0.9582 -2.469000 1.349000 
1 1 1   32   18    1 o   7.1210   0.4235   6.4810   0.6716   7.7610   0.5160 -1.280000 0.8470000 
1 1 1   32   18    2 o   8.4540   0.3555   8.8530   0.5059   8.0560   0.4995 0.7969000 0.7110000 
1 1 1   32   18    3 o   16.130   0.2341   16.130   0.3486   16.120   0.3125 0.1101000E-01 0.4682000 
1 1 1   32   18    4 o   4.2330   0.6849   5.0670   0.8929   3.3980   1.0390 1.669000 1.370000 
1 1 1   32   18    5 o   2.1550   0.6737   2.2820   0.9955   2.0270   0.9080 0.2545000 1.347000 
1 1 1   32   18    6 o   8.8560   0.3557   8.9920   0.5255   8.7200   0.4795 0.2721000 0.7114000 
1 1 1   32   18    7 o   5.0530   0.7622   5.3640   1.1360   4.7420   1.0160 0.6223000 1.524000 
1 1 1   32   18    8 o   4.1160   0.7772   3.0310   1.2290   5.2010   0.9518 -2.170000 1.554000 
1 1 1   32   18    9 o   9.4050   0.3826   9.5870   0.5286   9.2240   0.5533 0.3626000 0.7652000 
1 1 1   32   18   10 f   3.9270   0.7184   5.2220   0.9277   2.6310   1.0970 2.591000 1.437000 
1 1 1   32   18   11 o   6.1210   0.5614   6.2670   0.7647   5.9760   0.8221 0.2918000 1.123000 
1 1 1   32   18   12 o   3.1470   0.7359   2.1240   0.9714   4.1700   1.1060 -2.045000 1.472000 
1 1 1   32   18   13 o   2.7430   0.7376   1.9770   0.9288   3.5090   1.1460 -1.532000 1.475000 
1 1 1   32   18   14 o   4.3240   0.8430   3.1490   1.2120   5.5000   1.1720 -2.351000 1.686000 
1 1 1   32   18   15 o   3.6650   0.7189   2.3430   1.0630   4.9870   0.9685 -2.645000 1.438000 
1 1 1   32   18   16 o   2.8490   0.7967   2.8160   1.1340   2.8820   1.1190 -0.6572000E-01 1.593000 
1 1 1   32   18   17 o   3.2650   0.8304   3.2880   1.1830   3.2420   1.1660 0.4627000E-01 1.661000 
1 1 1   32   18   18 o   3.3120   0.8665   4.2120   1.3330   2.4120   1.1080 1.799000 1.733000 
1 1 1   32   18   19 o   2.5230   0.7612   2.7610   1.1330   2.2840   1.0170 0.4768000 1.522000 
1 1 1   32   18   20 o   2.3190   0.7468   2.3530   1.0580   2.2840   1.0540 0.6871000E-01 1.494000 
1 1 1   32   20    0 o   5.7820   0.5165   6.2430   0.7111   5.3200   0.7493 0.9234000 1.033000 
1 1 1   32   20    1 f   5.7340   0.5937   5.4210   0.8435   6.0470   0.8357 -0.6261000 1.187000 
1 1 1   32   20    2 o   14.020   0.3313   13.980   0.3876   14.070   0.5373 -0.8961000E-01 0.6625000 
1 1 1   32   20    3 o   3.3780   0.8631   2.7670   1.0770   3.9900   1.3490 -1.223000 1.726000 
1 1 1   32   20    4 o   3.7560   0.8557   3.8270   1.2740   3.6840   1.1420 0.1429000 1.711000 
1 1 1   32   20    5 o   4.5950   0.8140   4.5990   1.2500   4.5900   1.0420 0.8948000E-02 1.628000 
1 1 1   32   20    6 o   2.6260   0.7395   3.0520   1.1230   2.2000   0.9628 0.8521000 1.479000 
1 1 1   32   20    7 o   9.6540   0.3484   9.5590   0.5283   9.7490   0.4544 -0.1903000 0.6969000 
1 1 1   32   20    8 o   5.3170   0.6154   5.3500   0.9227   5.2850   0.8145 0.6414000E-01 1.231000 
1 1 1   32   20    9 o   2.2920   0.7063   2.2820   1.0110   2.3010   0.9865 -0.1872000E-01 1.413000 
1 1 1   32   20   10 f   4.2500   0.7374   4.8560   1.0010   3.6440   1.0830 1.213000 1.475000 
1 1 1   32   20   11 o   7.1250   0.5156   6.9400   0.7345   7.3100   0.7237 -0.3704000 1.031000 
1 1 1   32   20   12 o   2.7240   0.8087   2.7380   1.1570   2.7090   1.1300 0.2911000E-01 1.617000 
1 1 1   32   20   13 o   2.4510   0.7517   2.3070   1.0300   2.5950   1.0950 -0.2884000 1.503000 
1 1 1   32   20   14 o   2.9300   0.7842   3.4650   1.1730   2.3960   1.0410 1.069000 1.568000 
1 1 1   32   20   15 o   3.7220   0.7233   2.3670   1.0500   5.0770   0.9951 -2.710000 1.447000 
1 1 1   32   20   16 o   3.9830   0.9496   3.5250   1.3340   4.4410   1.3510 -0.9161000 1.899000 
1 1 1   32   20   17 o   2.2190   0.7143   2.4200   1.0720   2.0180   0.9448 0.4017000 1.429000 
1 1 1   32   20   18 o   2.9240   0.8178   2.4940   1.0810   3.3540   1.2270 -0.8595000 1.636000 
1 1 1   32   22    0 o   5.3080   0.7281   4.8910   1.1940   5.7250   0.8332 -0.8342000 1.456000 
1 1 1   32   22    1 o   9.3190   0.3489   8.8600   0.5403   9.7790   0.4414 -0.9185000 0.6977000 
1 1 1   32   22    2 o   3.9990   0.7253   4.6900   0.9889   3.3080   1.0610 1.382000 1.451000 
1 1 1   32   22    3 o   8.1840   0.3917   7.9640   0.5958   8.4030   0.5085 -0.4382000 0.7833000 
1 1 1   32   22    4 o   2.9750   0.7041   1.6510   0.8077   4.2980   1.1540 -2.647000 1.408000 
1 1 1   32   22    5 o   2.3910   0.7635   2.4010   1.0450   2.3810   1.1140 0.2021000E-01 1.527000 
1 1 1   32   22    6 o   6.7920   0.6603   7.3020   0.6809   6.2830   1.1320 1.019000 1.321000 
1 1 1   32   22    7 o   5.6730   0.6557   6.3480   0.7743   4.9970   1.0580 1.351000 1.311000 
1 1 1   32   22    8 o   7.7790   0.5004   7.4190   0.7851   8.1390   0.6208 -0.7206000 1.001000 
1 1 1   32   22    9 o   3.9330   0.7551   2.7980   1.1680   5.0680   0.9575 -2.270000 1.510000 
1 1 1   32   22   10 o   2.8980   0.7610   2.5300   1.0690   3.2670   1.0840 -0.7376000 1.522000 
1 1 1   32   22   11 o   2.0220   0.6597   2.0360   0.9473   2.0090   0.9183 0.2647000E-01 1.319000 
1 1 1   32   22   12 o   4.7620   0.7330   5.1030   1.0200   4.4210   1.0530 0.6822000 1.466000 
1 1 1   32   22   13 o   3.9880   0.8412   3.2840   1.1930   4.6920   1.1860 -1.408000 1.682000 
1 1 1   32   22   14 o   2.1390   0.7350   2.0240   0.9815   2.2550   1.0940 -0.2310000 1.470000 
1 1 1   32   22   15 o   2.2840   0.7452   2.2790   1.0330   2.2890   1.0740 -0.1053000E-01 1.490000 
1 1 1   32   22   16 o   1.7970   0.6258   1.5640   0.7816   2.0290   0.9777 -0.4651000 1.252000 
1 1 1   32   24    0 f   4.4300   0.8210   4.7430   1.2000   4.1170   1.1210 0.6254000 1.642000 
1 1 1   32   24    1 o   7.2380   0.5122   6.8650   0.7993   7.6120   0.6408 -0.7477000 1.024000 
1 1 1   32   24    2 o   3.2180   0.7787   4.1410   1.1830   2.2950   1.0120 1.846000 1.557000 
1 1 1   32   24    3 o   2.4750   0.7575   2.7680   1.1500   2.1810   0.9858 0.5876000 1.515000 
1 1 1   32   24    4 o   5.6370   0.6647   5.2460   1.0620   6.0280   0.8001 -0.7822000 1.329000 
1 1 1   32   24    5 o   3.5120   0.7656   4.2880   1.0940   2.7360   1.0710 1.552000 1.531000 
1 1 1   32   24    6 o   2.6730   0.7558   2.9930   1.1320   2.3530   1.0020 0.6395000 1.512000 
1 1 1   32   24    7 o   3.3430   0.7865   3.8520   1.1470   2.8340   1.0760 1.018000 1.573000 
1 1 1   32   24    8 o   2.3650   0.7244   2.8380   1.1250   1.8920   0.9123 0.9453000 1.449000 
1 1 1   32   24    9 o   3.2730   0.8494   3.7760   1.1720   2.7700   1.2300 1.006000 1.699000 
1 1 1   32   24   10 o   2.0790   0.7040   1.9810   0.9349   2.1770   1.0530 -0.1958000 1.408000 
1 1 1   32   24   11 o   4.5840   0.9184   5.6100   1.1800   3.5590   1.4080 2.051000 1.837000 
1 1 1   32   24   12 o   2.7730   0.8136   2.3320   1.0890   3.2140   1.2090 -0.8816000 1.627000 
1 1 1   32   24   13 o   2.4040   0.7344   2.9880   1.1750   1.8200   0.8815 1.168000 1.469000 
1 1 1   32   26    0 o   5.5550   0.6004   5.9870   0.8464   5.1230   0.8517 0.8642000 1.201000 
1 1 1   32   26    1 o   2.4240   0.7008   1.8950   0.9006   2.9520   1.0740 -1.057000 1.402000 
1 1 1   32   26    2 o   2.5430   0.6978   1.8290   0.8790   3.2580   1.0840 -1.429000 1.396000 
1 1 1   32   26    3 o   2.4030   0.7256   2.3820   1.0380   2.4250   1.0140 -0.4316000E-01 1.451000 
1 1 1   32   26    4 o   2.6630   0.7080   3.6180   1.1540   1.7080   0.8210 1.910000 1.416000 
1 1 1   32   26    5 o   1.6320   0.5642   1.5000   0.7495   1.7630   0.8436 -0.2628000 1.128000 
1 1 1   32   26    6 f   2.9640   0.7799   2.5850   1.0950   3.3420   1.1110 -0.7569000 1.560000 
1 1 1   32   26    7 o   2.2330   0.7342   2.3000   1.0700   2.1660   1.0060 0.1341000 1.468000 
1 1 1   32   26    8 o   1.8350   0.6437   1.7200   0.8589   1.9500   0.9589 -0.2292000 1.287000 
1 1 1   32   26    9 o   3.1470   0.8368   3.1300   1.1890   3.1640   1.1770 -0.3391000E-01 1.674000 
1 1 1   32   28    0 o   2.5870   0.7677   2.2990   1.0390   2.8750   1.1310 -0.5760000 1.535000 
1 1 1   32   28    1 o   2.4090   0.7831   2.2780   1.0720   2.5410   1.1420 -0.2631000 1.566000 
1 1 1   33    1    0 o   38.790   0.2624   38.610   0.4062   38.970   0.3323 -0.3581000 0.5248000 
1 1 1   33    1    1 o   43.290   0.2914   43.260   0.4525   43.320   0.3671 -0.6745000E-01 0.5827000 
1 1 1   33    1    2 o   27.260   0.2287   27.310   0.3238   27.210   0.3230 0.1054000 0.4573000 
1 1 1   33    1    3 o   21.610   0.2730   22.470   0.4570   20.740   0.2989 1.730000 0.5460000 
1 1 1   33    1    4 f   17.270   0.2820   17.110   0.4691   17.420   0.3133 -0.3060000 0.5641000 
1 1 1   33    1    5 o   20.810   0.1806   20.640   0.2572   20.980   0.2537 -0.3409000 0.3613000 
1 1 1   33    1    6 o   24.930   0.1944   25.050   0.2756   24.810   0.2742 0.2439000 0.3888000 
1 1 1   33    1    7 o   25.590   0.2013   25.580   0.2845   25.590   0.2849 -0.1067000E-01 0.4026000 
1 1 1   33    1    8 o   6.3750   0.4454   6.7120   0.6008   6.0370   0.6578 0.6750000 0.8909000 
1 1 1   33    1    9 o   17.010   0.2175   17.140   0.3071   16.880   0.3082 0.2535000 0.4350000 
1 1 1   33    1   10 o   14.030   0.2501   14.300   0.3492   13.760   0.3581 0.5479000 0.5002000 
1 1 1   33    1   11 o   3.6090   0.8440   3.2410   1.1910   3.9780   1.1970 -0.7370000 1.688000 
1 1 1   33    1   12 o   13.660   0.3654   13.470   0.3825   13.840   0.6228 -0.3629000 0.7308000 
1 1 1   33    1   13 o   5.3270   0.7699   6.1990   0.9566   4.4540   1.2070 1.745000 1.540000 
1 1 1   33    1   14 o   9.9510   0.3979   10.180   0.6083   9.7250   0.5130 0.4525000 0.7957000 
1 1 1   33    1   15 o   2.8830   0.8163   2.7730   1.1780   2.9940   1.1300 -0.2206000 1.633000 
1 1 1   33    1   16 o   4.2360   1.1010   3.8510   1.5320   4.6210   1.5820 -0.7698000 2.202000 
1 1 1   33    1   17 o   3.1170   0.7941   3.5890   1.1590   2.6460   1.0860 0.9429000 1.588000 
1 1 1   33    1   18 o   4.0140   0.7343   5.1340   0.9487   2.8940   1.1210 2.240000 1.469000 
1 1 1   33    1   19 f   6.4650   0.5576   5.7510   0.8753   7.1780   0.6910 -1.426000 1.115000 
1 1 1   33    1   20 o   3.0670   0.7959   2.6560   1.0900   3.4790   1.1600 -0.8224000 1.592000 
1 1 1   33    1   21 o   2.9280   0.7172   3.9600   1.1160   1.8960   0.9015 2.064000 1.434000 
1 1 1   33    1   22 o   4.2430   0.7876   4.1340   1.1260   4.3530   1.1010 -0.2180000 1.575000 
1 1 1   33    1   23 o   3.8230   0.8754   4.0550   1.2970   3.5910   1.1760 0.4641000 1.751000 
1 1 1   33    1   24 o   2.5360   0.7812   2.1370   0.9840   2.9350   1.2140 -0.7979000 1.562000 
1 1 1   33    1   25 o   2.3210   0.7296   2.0890   0.9726   2.5540   1.0880 -0.4647000 1.459000 
1 1 1   33    1   26 o   2.1350   0.6968   1.9940   0.9474   2.2760   1.0220 -0.2823000 1.394000 
1 1 1   33    1   27 o   1.8260   0.6268   1.9820   0.9435   1.6700   0.8256 0.3111000 1.254000 
1 1 1   33    3    0 o   27.510   0.2246   27.340   0.3175   27.680   0.3179 -0.3327000 0.4493000 
1 1 1   33    3    1 o   12.580   0.3018   12.580   0.3018  ?   ?       ?      ? 
1 1 1   33    3    2 o   2.4390   0.6413   2.2280   0.9148   2.6510   0.8990 -0.4227000 1.283000 
1 1 1   33    3    3 o   2.3500   0.6102   2.4870   0.8717   2.2120   0.8539 0.2747000 1.220000 
1 1 1   33    3    4 o   23.970   0.2312   23.780   0.3303   24.160   0.3236 -0.3763000 0.4624000 
1 1 1   33    3    5 o   34.900   0.2572   35.330   0.4035   34.470   0.3190 0.8566000 0.5144000 
1 1 1   33    3    6 f   48.340   0.2951   48.210   0.4165   48.460   0.4181 -0.2475000 0.5901000 
1 1 1   33    3    7 o   13.280   0.2262   13.140   0.3176   13.430   0.3223 -0.2917000 0.4525000 
1 1 1   33    3    8 o   10.750   0.2997   10.540   0.3926   10.950   0.4529 -0.4131000 0.5993000 
1 1 1   33    3    9 o   28.370   0.2408   28.300   0.3073   28.450   0.3708 -0.1492000 0.4816000 
1 1 1   33    3   10 o   10.670   0.3297   10.520   0.4333   10.820   0.4971 -0.3019000 0.6595000 
1 1 1   33    3   11 o   17.580   0.2469   17.710   0.3096   17.460   0.3847 0.2459000 0.4938000 
1 1 1   33    3   12 o   11.190   0.3425   11.570   0.4238   10.800   0.5381 0.7655000 0.6850000 
1 1 1   33    3   13 o   5.7350   0.5283   5.1510   0.7762   6.3200   0.7168 -1.169000 1.057000 
1 1 1   33    3   14 o   7.1370   0.4271   6.6880   0.6071   7.5860   0.6008 -0.8980000 0.8541000 
1 1 1   33    3   15 o   4.9810   0.6317   5.1450   0.8042   4.8180   0.9743 0.3271000 1.263000 
1 1 1   33    3   16 f   10.810   0.6416   11.120   0.9337   10.490   0.8801 0.6239000 1.283000 
1 1 1   33    3   17 o   4.0440   0.8537   3.9650   1.2930   4.1240   1.1150 -0.1589000 1.707000 
1 1 1   33    3   18 o   4.8520   0.7670   3.7070   1.3090   5.9960   0.7990 -2.289000 1.534000 
1 1 1   33    3   19 f   3.2930   0.8565   3.7840   1.3030   2.8020   1.1120 0.9818000 1.713000 
1 1 1   33    3   20 o   6.2320   0.5654   6.0230   0.8283   6.4410   0.7698 -0.4181000 1.131000 
1 1 1   33    3   21 o   2.6490   0.7658   2.4360   1.0510   2.8630   1.1140 -0.4276000 1.532000 
1 1 1   33    3   22 o   2.8560   0.7960   2.9310   1.1290   2.7810   1.1220 0.1500000 1.592000 
1 1 1   33    3   23 o   2.1190   0.7009   2.3780   1.0830   1.8590   0.8903 0.5185000 1.402000 
1 1 1   33    3   24 o   2.4880   0.7738   2.0800   0.9617   2.8970   1.2120 -0.8167000 1.548000 
1 1 1   33    3   25 o   2.4770   0.7499   2.2380   1.0150   2.7150   1.1040 -0.4773000 1.500000 
1 1 1   33    3   26 o   1.9400   0.6528   2.0900   0.9761   1.7890   0.8672 0.3012000 1.306000 
1 1 1   33    3   27 o   2.8970   0.8695   2.8740   1.2230   2.9210   1.2370 -0.4636000E-01 1.739000 
1 1 1   33    5    0 o   34.420   0.2372   34.740   0.3066   34.090   0.3621 0.6474000 0.4745000 
1 1 1   33    5    1 o   8.9420   0.2118   9.4010   0.2842   8.4830   0.3141 0.9178000 0.4236000 
1 1 1   33    5    2 f   14.060   0.1757   14.320   0.2508   13.800   0.2462 0.5155000 0.3515000 
1 1 1   33    5    3 o   19.590   0.2206   19.870   0.3127   19.310   0.3112 0.5655000 0.4412000 
1 1 1   33    5    4 o   39.150   0.2471   39.300   0.3507   39.000   0.3482 0.2993000 0.4942000 
1 1 1   33    5    5 o   19.190   0.1877   19.180   0.2627   19.190   0.2681 -0.1317000E-01 0.3754000 
1 1 1   33    5    6 o   18.260   0.2765   18.260   0.2765  ?   ?       ?      ? 
1 1 1   33    5    7 o   23.060   0.2216   23.260   0.2896   22.850   0.3355 0.4113000 0.4432000 
1 1 1   33    5    8 o   14.660   0.2499   14.560   0.3307   14.750   0.3746 -0.1896000 0.4997000 
1 1 1   33    5    9 o   7.2230   0.4182   7.3400   0.5821   7.1060   0.6006 0.2337000 0.8364000 
1 1 1   33    5   10 o   13.880   0.2687   13.870   0.4019   13.900   0.3569 -0.2182000E-01 0.5375000 
1 1 1   33    5   11 o   9.0690   0.4450   9.2190   0.6259   8.9190   0.6328 0.3004000 0.8900000 
1 1 1   33    5   12 o   3.5920   0.8226   4.1960   1.2260   2.9890   1.0970 1.208000 1.645000 
1 1 1   33    5   13 o   7.8460   0.4116   7.8370   0.5825   7.8550   0.5818 -0.1804000E-01 0.8233000 
1 1 1   33    5   14 o   3.2850   0.7936   3.4400   1.1190   3.1300   1.1250 0.3100000 1.587000 
1 1 1   33    5   15 o   12.220   0.3331   12.140   0.4305   12.300   0.5084 -0.1643000 0.6662000 
1 1 1   33    5   16 o   10.540   0.3970   11.210   0.4711   9.8720   0.6390 1.342000 0.7939000 
1 1 1   33    5   17 o   4.1130   0.7108   5.0050   0.8455   3.2210   1.1430 1.784000 1.422000 
1 1 1   33    5   18 o   6.7680   0.4709   6.6230   0.6440   6.9130   0.6871 -0.2898000 0.9417000 
1 1 1   33    5   19 f   1.8970   0.6361   1.7580   0.8548   2.0370   0.9422 -0.2794000 1.272000 
1 1 1   33    5   20 o   6.7390   0.6248   6.2370   1.0460   7.2400   0.6836 -1.003000 1.250000 
1 1 1   33    5   21 o   3.0760   0.7918   4.2710   1.3050   1.8820   0.8976 2.389000 1.584000 
1 1 1   33    5   22 o   4.2620   0.8012   3.2500   1.2740   5.2750   0.9713 -2.024000 1.602000 
1 1 1   33    5   23 o   4.9570   0.8573   4.4040   1.2840   5.5100   1.1360 -1.106000 1.715000 
1 1 1   33    5   24 o   1.9790   0.6501   2.2320   0.9925   1.7250   0.8401 0.5078000 1.300000 
1 1 1   33    5   25 o   1.7450   0.5984   1.5300   0.7584   1.9600   0.9259 -0.4302000 1.197000 
1 1 1   33    5   26 o   1.6960   0.5869   1.6800   0.8207   1.7110   0.8393 -0.3162000E-01 1.174000 
1 1 1   33    7    0 o   22.300   0.1775   22.150   0.2438   22.460   0.2581 -0.3089000 0.3550000 
1 1 1   33    7    1 o   14.910   0.1765   15.060   0.2509   14.750   0.2484 0.3073000 0.3530000 
1 1 1   33    7    2 o   13.810   0.2441   13.760   0.3401   13.860   0.3501 -0.9787000E-01 0.4881000 
1 1 1   33    7    3 o   14.530   0.2290   14.320   0.3627   14.730   0.2795 -0.4069000 0.4580000 
1 1 1   33    7    4 o   25.220   0.2134   25.370   0.2768   25.070   0.3247 0.3043000 0.4267000 
1 1 1   33    7    5 o   26.310   0.2213   25.990   0.2864   26.640   0.3374 -0.6422000 0.4426000 
1 1 1   33    7    6 o   32.780   0.2510   32.550   0.3209   33.020   0.3860 -0.4776000 0.5020000 
1 1 1   33    7    7 o   22.240   0.2085   22.900   0.2925   21.590   0.2971 1.306000 0.4169000 
1 1 1   33    7    8 o   9.7460   0.3161   9.6600   0.4541   9.8320   0.4398 -0.1720000 0.6321000 
1 1 1   33    7    9 o   29.850   0.2474   29.680   0.3781   30.010   0.3192 -0.3346000 0.4948000 
1 1 1   33    7   10 o   8.9140   0.3586   9.3910   0.4983   8.4360   0.5157 0.9553000 0.7171000 
1 1 1   33    7   11 o   11.570   0.3874   11.980   0.5443   11.160   0.5515 0.8153000 0.7749000 
1 1 1   33    7   12 o   11.730   0.2969   11.780   0.4266   11.680   0.4130 0.9513000E-01 0.5938000 
1 1 1   33    7   13 o   3.8260   0.7273   2.8230   1.0930   4.8280   0.9599 -2.005000 1.455000 
1 1 1   33    7   14 o   7.7800   0.4675   7.8280   0.5940   7.7330   0.7221 0.9453000E-01 0.9350000 
1 1 1   33    7   15 o   7.6390   0.5671   7.8500   0.7992   7.4280   0.8049 0.4224000 1.134000 
1 1 1   33    7   16 o   14.470   0.3428   14.370   0.4941   14.570   0.4751 -0.1989000 0.6855000 
1 1 1   33    7   17 o   8.3320   0.4153   8.7350   0.5706   7.9290   0.6037 0.8056000 0.8307000 
1 1 1   33    7   18 o   3.5820   0.7793   4.4010   1.0950   2.7640   1.1100 1.637000 1.559000 
1 1 1   33    7   19 o   7.4720   0.4681   7.3010   0.6873   7.6430   0.6356 -0.3417000 0.9361000 
1 1 1   33    7   20 o   2.0770   0.6706   2.0710   0.9349   2.0830   0.9616 -0.1172000E-01 1.341000 
1 1 1   33    7   21 o   4.8550   0.6780   3.8720   1.0590   5.8380   0.8467 -1.966000 1.356000 
1 1 1   33    7   22 o   3.0080   0.7755   2.3330   1.0340   3.6830   1.1560 -1.349000 1.551000 
1 1 1   33    7   23 o   3.3540   0.8984   2.8970   1.2440   3.8110   1.2960 -0.9132000 1.797000 
1 1 1   33    7   24 o   4.1820   0.9005   4.6120   1.3710   3.7520   1.1680 0.8600000 1.801000 
1 1 1   33    7   25 f   2.5080   0.7909   2.9810   1.2660   2.0360   0.9489 0.9449000 1.582000 
1 1 1   33    7   26 o   2.2400   1.1150   2.2400   1.1150  ?   ?       ?      ? 
1 1 1   33    9    0 o   15.260   0.2212   14.640   0.3389   15.880   0.2844 -1.231000 0.4424000 
1 1 1   33    9    1 o   17.150   0.1829   17.190   0.2717   17.110   0.2451 0.8226000E-01 0.3659000 
1 1 1   33    9    2 o   9.8720   0.2716   9.6500   0.3656   10.090   0.4019 -0.4436000 0.5433000 
1 1 1   33    9    3 o   29.920   0.2340   30.000   0.3022   29.830   0.3572 0.1692000 0.4679000 
1 1 1   33    9    4 o   21.330   0.2816   21.330   0.2816  ?   ?       ?      ? 
1 1 1   33    9    5 o   22.650   0.2051   23.110   0.2863   22.200   0.2938 0.9136000 0.4102000 
1 1 1   33    9    6 o   11.310   0.2722   11.580   0.3815   11.030   0.3885 0.5508000 0.5445000 
1 1 1   33    9    7 o   12.700   0.2736   13.060   0.4062   12.330   0.3667 0.7261000 0.5473000 
1 1 1   33    9    8 o   18.790   0.2196   18.850   0.3133   18.730   0.3077 0.1140000 0.4391000 
1 1 1   33    9    9 o   13.970   0.2506   14.180   0.3538   13.750   0.3551 0.4310000 0.5013000 
1 1 1   33    9   10 o   10.600   0.4041   10.420   0.5761   10.790   0.5669 -0.3649000 0.8082000 
1 1 1   33    9   11 o   23.420   0.2252   23.010   0.3196   23.840   0.3172 -0.8295000 0.4503000 
1 1 1   33    9   12 o   18.450   0.2399   18.240   0.3449   18.660   0.3334 -0.4204000 0.4797000 
1 1 1   33    9   13 o   5.9630   0.6455   6.7040   0.7261   5.2230   1.0670 1.481000 1.291000 
1 1 1   33    9   14 o   9.5450   0.3767   9.6080   0.5409   9.4820   0.5245 0.1258000 0.7534000 
1 1 1   33    9   15 o   12.720   0.3840   12.230   0.5741   13.210   0.5101 -0.9737000 0.7680000 
1 1 1   33    9   16 o   12.500   0.3112   12.380   0.4529   12.620   0.4268 -0.2348000 0.6223000 
1 1 1   33    9   17 o   8.6510   0.4108   8.3760   0.6090   8.9260   0.5514 -0.5502000 0.8215000 
1 1 1   33    9   18 o   9.6920   0.3785   10.070   0.5252   9.3150   0.5451 0.7551000 0.7570000 
1 1 1   33    9   19 o   3.8010   0.7781   3.0870   1.1470   4.5150   1.0510 -1.428000 1.556000 
1 1 1   33    9   20 o   3.5250   0.8113   3.3000   1.1500   3.7490   1.1450 -0.4494000 1.623000 
1 1 1   33    9   21 o   2.9830   0.7566   2.1420   1.0070   3.8240   1.1300 -1.683000 1.513000 
1 1 1   33    9   22 o   2.2650   0.7370   2.0830   0.9705   2.4470   1.1090 -0.3642000 1.474000 
1 1 1   33    9   23 o   2.7120   0.8121   3.1320   1.2610   2.2920   1.0240 0.8406000 1.624000 
1 1 1   33    9   24 o   3.9850   0.7293   5.1890   0.9365   2.7800   1.1180 2.409000 1.459000 
1 1 1   33    9   25 o   2.0770   0.6682   2.5890   1.0870   1.5650   0.7778 1.024000 1.336000 
1 1 1   33   11    0 o   10.500   0.2555   10.420   0.3647   10.590   0.3580 -0.1712000 0.5111000 
1 1 1   33   11    1 o   14.050   0.2319   14.050   0.3036   14.040   0.3508 0.1629000E-01 0.4639000 
1 1 1   33   11    2 o   19.680   0.2490   20.030   0.3649   19.320   0.3390 0.7061000 0.4981000 
1 1 1   33   11    3 o   12.090   0.2743   12.060   0.3509   12.130   0.4217 -0.6311000E-01 0.5486000 
1 1 1   33   11    4 o   15.060   0.2423   15.340   0.3589   14.780   0.3257 0.5602000 0.4847000 
1 1 1   33   11    5 o   11.520   0.2908   11.940   0.4216   11.100   0.4005 0.8345000 0.5815000 
1 1 1   33   11    6 o   24.360   0.2156   24.490   0.3042   24.240   0.3055 0.2463000 0.4311000 
1 1 1   33   11    7 o   9.3440   0.3308   9.2520   0.4726   9.4350   0.4631 -0.1832000 0.6616000 
1 1 1   33   11    8 o   13.660   0.2586   14.120   0.3613   13.210   0.3699 0.9119000 0.5171000 
1 1 1   33   11    9 o   13.210   0.3522   12.930   0.5016   13.480   0.4946 -0.5521000 0.7044000 
1 1 1   33   11   10 o   5.7010   0.5520   5.5280   0.8020   5.8730   0.7586 -0.3452000 1.104000 
1 1 1   33   11   11 o   5.7770   0.6057   5.9580   0.7747   5.5960   0.9314 0.3625000 1.211000 
1 1 1   33   11   12 o   15.900   0.2550   16.170   0.3592   15.630   0.3619 0.5374000 0.5099000 
1 1 1   33   11   13 o   3.5000   0.7837   4.0040   1.0900   2.9970   1.1260 1.007000 1.567000 
1 1 1   33   11   14 o   6.7280   0.6340   6.4120   0.9647   7.0440   0.8228 -0.6312000 1.268000 
1 1 1   33   11   15 o   3.4910   0.7811   4.0850   1.1040   2.8970   1.1050 1.188000 1.562000 
1 1 1   33   11   16 o   6.4290   0.5213   6.4750   0.7369   6.3820   0.7377 0.9240000E-01 1.043000 
1 1 1   33   11   17 o   5.3080   0.6527   5.2100   0.9633   5.4060   0.8811 -0.1957000 1.305000 
1 1 1   33   11   18 o   8.1090   0.4471   7.8030   0.6705   8.4140   0.5915 -0.6104000 0.8942000 
1 1 1   33   11   19 o   2.1080   0.6859   2.0630   0.9637   2.1530   0.9763 -0.9030000E-01 1.372000 
1 1 1   33   11   20 o   3.9280   0.8421   3.7690   1.2710   4.0880   1.1050 -0.3194000 1.684000 
1 1 1   33   11   21 o   2.8470   0.7376   3.9370   1.2050   1.7580   0.8504 2.180000 1.475000 
1 1 1   33   11   22 o   2.6340   0.8323   2.5830   1.1840   2.6850   1.1700 -0.1027000 1.665000 
1 1 1   33   11   23 o   2.5570   0.7722   2.9980   1.1990   2.1160   0.9732 0.8825000 1.544000 
1 1 1   33   11   24 o   2.6050   0.8027   3.1570   1.2870   2.0530   0.9600 1.104000 1.605000 
1 1 1   33   11   25 o   2.6480   0.8634   2.9660   1.2980   2.3290   1.1390 0.6370000 1.727000 
1 1 1   33   13    0 o   22.470   0.2367   22.500   0.3306   22.440   0.3388 0.6310000E-01 0.4733000 
1 1 1   33   13    1 o   3.7580   0.7369   3.4130   1.0690   4.1040   1.0140 -0.6907000 1.474000 
1 1 1   33   13    2 o   6.9780   0.3889   6.9310   0.5817   7.0240   0.5164 -0.9278000E-01 0.7779000 
1 1 1   33   13    3 o   10.450   0.2807   10.270   0.4220   10.620   0.3702 -0.3568000 0.5614000 
1 1 1   33   13    4 o   17.840   0.2120   17.280   0.3175   18.400   0.2810 -1.113000 0.4239000 
1 1 1   33   13    5 o   7.4830   0.4072   7.0370   0.6041   7.9300   0.5463 -0.8931000 0.8145000 
1 1 1   33   13    6 o   2.7960   0.7510   2.9170   1.0600   2.6760   1.0650 0.2415000 1.502000 
1 1 1   33   13    7 o   2.7190   0.8107   3.0500   1.1920   2.3880   1.0990 0.6618000 1.621000 
1 1 1   33   13    8 o   12.850   0.2760   12.570   0.3904   13.140   0.3903 -0.5704000 0.5521000 
1 1 1   33   13    9 o   10.530   0.3448   10.070   0.4733   10.990   0.5015 -0.9212000 0.6896000 
1 1 1   33   13   10 o   4.1820   0.7516   4.2970   1.0540   4.0660   1.0720 0.2308000 1.503000 
1 1 1   33   13   11 o   8.7770   0.3771   8.7750   0.5397   8.7800   0.5267 -0.4188000E-02 0.7541000 
1 1 1   33   13   12 o   3.5200   0.8092   3.3930   1.1540   3.6470   1.1350 -0.2536000 1.618000 
1 1 1   33   13   13 o   5.4990   0.7734   5.4170   1.1390   5.5820   1.0460 -0.1648000 1.547000 
1 1 1   33   13   14 o   4.7570   0.7103   4.0650   1.1270   5.4480   0.8652 -1.383000 1.421000 
1 1 1   33   13   15 o   5.2100   0.6459   5.2100   0.9215   5.2110   0.9054 -0.1161000E-02 1.292000 
1 1 1   33   13   16 o   2.3560   0.7164   2.0090   0.9360   2.7020   1.0850 -0.6932000 1.433000 
1 1 1   33   13   17 o   6.0560   0.5761   6.1330   0.8121   5.9780   0.8174 0.1553000 1.152000 
1 1 1   33   13   18 o   2.9360   0.7730   3.5220   1.1560   2.3500   1.0260 1.172000 1.546000 
1 1 1   33   13   19 o   1.9420   0.6529   1.9610   0.9421   1.9240   0.9041 0.3689000E-01 1.306000 
1 1 1   33   13   20 o   2.7750   0.7760   2.3620   1.0420   3.1890   1.1500 -0.8263000 1.552000 
1 1 1   33   13   21 o   2.9080   0.8613   2.5230   1.1450   3.2930   1.2870 -0.7700000 1.723000 
1 1 1   33   13   22 o   4.3220   0.8092   4.6490   1.1320   3.9960   1.1570 0.6529000 1.618000 
1 1 1   33   13   23 o   2.1950   0.7141   2.4980   1.1050   1.8930   0.9042 0.6051000 1.428000 
1 1 1   33   13   24 o   2.3020   1.1080   2.3020   1.1080  ?   ?       ?      ? 
1 1 1   33   15    0 o   10.960   0.2747   10.970   0.4031   10.960   0.3732 0.2924000E-02 0.5494000 
1 1 1   33   15    1 o   16.720   0.2159   16.390   0.3204   17.040   0.2896 -0.6512000 0.4318000 
1 1 1   33   15    2 o   12.800   0.2526   12.990   0.3696   12.620   0.3444 0.3676000 0.5052000 
1 1 1   33   15    3 o   8.5950   0.3400   8.8620   0.4910   8.3270   0.4704 0.5353000 0.6799000 
1 1 1   33   15    4 o   2.7260   0.7808   2.4310   1.0730   3.0220   1.1340 -0.5913000 1.562000 
1 1 1   33   15    5 o   10.130   0.3958   10.580   0.5575   9.6870   0.5620 0.8950000 0.7916000 
1 1 1   33   15    6 o   16.460   0.2462   16.440   0.3456   16.480   0.3508 -0.3376000E-01 0.4924000 
1 1 1   33   15    7 o   13.290   0.2976   13.070   0.3907   13.520   0.4489 -0.4494000 0.5951000 
1 1 1   33   15    8 o   14.980   0.2662   14.650   0.3758   15.320   0.3772 -0.6651000 0.5325000 
1 1 1   33   15    9 o   7.2800   0.4583   7.5930   0.6051   6.9670   0.6884 0.6258000 0.9165000 
1 1 1   33   15   10 o   6.0730   0.5436   5.8400   0.7969   6.3050   0.7397 -0.4650000 1.087000 
1 1 1   33   15   11 o   9.3460   0.4912   8.1270   0.7910   10.570   0.5825 -2.439000 0.9824000 
1 1 1   33   15   12 o   6.1290   0.5620   5.9910   0.8147   6.2670   0.7745 -0.2753000 1.124000 
1 1 1   33   15   13 o   7.1720   0.4744   7.0510   0.6898   7.2930   0.6515 -0.2414000 0.9488000 
1 1 1   33   15   14 o   2.5210   0.7354   2.1450   0.9718   2.8970   1.1040 -0.7526000 1.471000 
1 1 1   33   15   15 o   5.3570   0.6531   5.4490   0.9247   5.2650   0.9224 0.1839000 1.306000 
1 1 1   33   15   16 o   3.0740   0.8074   3.1490   1.1580   2.9990   1.1260 0.1506000 1.615000 
1 1 1   33   15   17 o   2.5460   0.7688   2.9720   1.1940   2.1210   0.9686 0.8509000 1.538000 
1 1 1   33   15   18 o   3.1810   0.8176   2.7860   1.1700   3.5760   1.1420 -0.7899000 1.635000 
1 1 1   33   15   19 o   2.4850   0.7484   2.8140   1.1320   2.1550   0.9788 0.6588000 1.497000 
1 1 1   33   15   20 o   2.2050   0.7354   1.9480   0.9544   2.4630   1.1190 -0.5153000 1.471000 
1 1 1   33   15   21 o   2.1080   0.6921   2.3150   1.0460   1.9020   0.9065 0.4129000 1.384000 
1 1 1   33   15   22 o   2.6420   0.8054   2.4500   1.0830   2.8350   1.1930 -0.3850000 1.611000 
1 1 1   33   17    0 o   5.1290   0.8635   6.4740   0.8347   3.7840   1.5120 2.690000 1.727000 
1 1 1   33   17    1 o   5.0090   0.9634   4.7430   1.1480   5.2750   1.5470 -0.5311000 1.927000 
1 1 1   33   17    2 o   12.940   0.4802   13.380   0.4831   12.500   0.8301 0.8858000 0.9604000 
1 1 1   33   17    3 o   5.8840   0.5392   4.8460   0.9087   6.9210   0.5807 -2.075000 1.078000 
1 1 1   33   17    4 o   2.8730   0.7513   3.0210   1.0950   2.7250   1.0280 0.2960000 1.503000 
1 1 1   33   17    5 o   6.3060   0.4824   5.9380   0.7530   6.6740   0.6033 -0.7361000 0.9648000 
1 1 1   33   17    6 o   7.1030   0.4303   7.4680   0.6157   6.7380   0.6012 0.7297000 0.8605000 
1 1 1   33   17    7 o   12.160   0.2847   12.540   0.4113   11.780   0.3939 0.7659000 0.5695000 
1 1 1   33   17    8 o   5.8320   0.5824   5.8680   0.7979   5.7960   0.8487 0.7158000E-01 1.165000 
1 1 1   33   17    9 o   4.5010   0.8958   4.8890   1.2320   4.1120   1.3000 0.7767000 1.792000 
1 1 1   33   17   10 o   7.6120   0.4666   6.7980   0.7107   8.4250   0.6048 -1.628000 0.9332000 
1 1 1   33   17   11 o   5.7070   0.6110   5.6070   0.8777   5.8070   0.8502 -0.2003000 1.222000 
1 1 1   33   17   12 o   2.5960   0.7554   2.7660   1.1010   2.4250   1.0350 0.3418000 1.511000 
1 1 1   33   17   13 o   3.0580   0.8052   3.0420   1.1420   3.0740   1.1350 -0.3224000E-01 1.610000 
1 1 1   33   17   14 o   2.2390   0.7102   2.1310   0.9777   2.3470   1.0300 -0.2160000 1.420000 
1 1 1   33   17   15 o   2.8320   0.8080   2.8260   1.1660   2.8390   1.1190 -0.1295000E-01 1.616000 
1 1 1   33   17   16 o   2.5490   0.7624   2.2900   1.0460   2.8070   1.1100 -0.5166000 1.525000 
1 1 1   33   17   17 o   2.6230   0.7702   2.9090   1.1480   2.3380   1.0270 0.5715000 1.540000 
1 1 1   33   17   18 o   3.5670   0.9131   3.1810   1.2760   3.9540   1.3060 -0.7726000 1.826000 
1 1 1   33   17   19 o   3.7670   0.8531   4.8740   1.3000   2.6600   1.1050 2.214000 1.706000 
1 1 1   33   17   20 o   2.9290   0.8105   3.0760   1.1760   2.7810   1.1150 0.2953000 1.621000 
1 1 1   33   17   21 o   2.8730   0.8055   3.4030   1.2060   2.3430   1.0680 1.061000 1.611000 
1 1 1   33   19    0 o   8.4130   0.3531   8.3900   0.5231   8.4350   0.4745 -0.4582000E-01 0.7063000 
1 1 1   33   19    1 o   7.6310   0.3950   7.1940   0.6115   8.0670   0.5003 -0.8732000 0.7901000 
1 1 1   33   19    2 o   8.4620   0.4070   8.2670   0.5635   8.6570   0.5875 -0.3893000 0.8141000 
1 1 1   33   19    3 o   8.2310   0.5270   8.8720   0.5313   7.5900   0.9104 1.281000 1.054000 
1 1 1   33   19    4 o   4.3130   0.8496   4.3880   1.0220   4.2370   1.3570 0.1507000 1.699000 
1 1 1   33   19    5 o   4.2070   0.7647   4.3710   1.0410   4.0430   1.1210 0.3279000 1.529000 
1 1 1   33   19    6 o   3.5150   0.8556   3.3820   1.2760   3.6470   1.1410 -0.2651000 1.711000 
1 1 1   33   19    7 o   8.4640   0.4719   8.8820   0.7149   8.0460   0.6162 0.8369000 0.9438000 
1 1 1   33   19    8 o   5.6330   0.5880   4.8050   0.9820   6.4600   0.6472 -1.656000 1.176000 
1 1 1   33   19    9 o   5.7010   0.5817   5.2390   0.9308   6.1640   0.6979 -0.9249000 1.163000 
1 1 1   33   19   10 o   3.4010   0.8083   2.8000   1.1230   4.0030   1.1630 -1.203000 1.617000 
1 1 1   33   19   11 o   6.8890   0.5311   6.2950   0.7959   7.4830   0.7034 -1.188000 1.062000 
1 1 1   33   19   12 o   7.4780   0.4931   6.6630   0.7571   8.2930   0.6320 -1.630000 0.9862000 
1 1 1   33   19   13 o   2.1460   0.6895   1.7890   0.8783   2.5040   1.0630 -0.7151000 1.379000 
1 1 1   33   19   14 o   5.3020   0.6732   4.8280   1.0590   5.7770   0.8316 -0.9495000 1.346000 
1 1 1   33   19   15 o   2.4320   0.7475   2.4330   1.0600   2.4300   1.0540 0.2115000E-02 1.495000 
1 1 1   33   19   16 o   2.0550   0.6784   2.0590   0.9612   2.0520   0.9576 0.7083000E-02 1.357000 
1 1 1   33   19   17 o   4.0520   0.9549   3.6840   1.3540   4.4190   1.3470 -0.7342000 1.910000 
1 1 1   33   19   18 o   2.2550   0.7138   1.9300   0.9256   2.5810   1.0870 -0.6509000 1.428000 
1 1 1   33   19   19 o   1.6230   0.5712   1.6500   0.8173   1.5950   0.7982 0.5463000E-01 1.142000 
1 1 1   33   21    0 o   8.2270   0.3770   8.7590   0.5330   7.6960   0.5333 1.063000 0.7540000 
1 1 1   33   21    1 o   3.2460   0.8110   2.7510   1.1650   3.7410   1.1290 -0.9896000 1.622000 
1 1 1   33   21    2 o   11.310   0.3657   11.000   0.5739   11.610   0.4533 -0.6039000 0.7313000 
1 1 1   33   21    3 o   2.5460   0.7797   2.7200   1.1660   2.3730   1.0350 0.3476000 1.559000 
1 1 1   33   21    4 o   2.9760   0.7432   2.4950   1.0490   3.4560   1.0530 -0.9614000 1.486000 
1 1 1   33   21    5 o   6.3370   0.5009   6.2750   0.7597   6.3990   0.6530 -0.1241000 1.002000 
1 1 1   33   21    6 o   3.6940   0.7799   4.7580   1.0120   2.6300   1.1870 2.129000 1.560000 
1 1 1   33   21    7 o   4.4270   0.8878   3.9140   1.1330   4.9390   1.3680 -1.025000 1.776000 
1 1 1   33   21    8 o   7.4880   0.6051   7.7150   0.6531   7.2610   1.0190 0.4541000 1.210000 
1 1 1   33   21    9 o   13.690   0.3629   14.100   0.4902   13.280   0.5353 0.8133000 0.7259000 
1 1 1   33   21   10 o   2.6630   0.7701   3.3540   1.2330   1.9720   0.9237 1.382000 1.540000 
1 1 1   33   21   11 o   2.9370   0.7596   2.2760   1.0190   3.5970   1.1270 -1.321000 1.519000 
1 1 1   33   21   12 o   6.8840   0.5523   6.2930   0.8243   7.4760   0.7353 -1.182000 1.105000 
1 1 1   33   21   13 o   6.7900   0.5618   6.5110   0.7961   7.0700   0.7930 -0.5598000 1.124000 
1 1 1   33   21   14 o   4.2520   0.8173   4.7360   1.0900   3.7680   1.2180 0.9678000 1.635000 
1 1 1   33   21   15 o   2.3740   0.7808   2.0940   1.0080   2.6530   1.1930 -0.5589000 1.562000 
1 1 1   33   21   16 o   2.3400   0.7452   2.5900   1.1060   2.0910   0.9992 0.4984000 1.490000 
1 1 1   33   21   17 o   2.0970   0.6939   2.2940   1.0320   1.9010   0.9283 0.3929000 1.388000 
1 1 1   33   23    0 f   2.7860   0.7147   3.6120   1.1110   1.9600   0.8991 1.652000 1.429000 
1 1 1   33   23    1 o   3.7280   0.7536   3.9430   1.0830   3.5130   1.0480 0.4301000 1.507000 
1 1 1   33   23    2 o   5.4610   0.5848   4.9320   0.9418   5.9900   0.6935 -1.058000 1.170000 
1 1 1   33   23    3 o   2.4380   0.7173   2.2320   0.9893   2.6440   1.0390 -0.4125000 1.435000 
1 1 1   33   23    4 o   5.5870   0.6673   5.0740   1.0760   6.1000   0.7896 -1.026000 1.335000 
1 1 1   33   23    5 o   4.6680   1.0170  ?   ?    4.6680   1.0170      ?      ? 
1 1 1   33   23    6 o   9.3510   0.4189   9.3560   0.6325   9.3450   0.5493 0.1079000E-01 0.8377000 
1 1 1   33   23    7 o   2.3000   0.7077   2.1720   0.9845   2.4280   1.0170 -0.2560000 1.415000 
1 1 1   33   23    8 o   2.7680   0.7720   2.8200   1.1180   2.7150   1.0650 0.1046000 1.544000 
1 1 1   33   23    9 f   3.5660   0.8252   2.9680   1.1380   4.1640   1.1950 -1.197000 1.650000 
1 1 1   33   23   10 o   2.2030   0.7166   2.4950   1.0760   1.9110   0.9465 0.5841000 1.433000 
1 1 1   33   23   11 f   2.3770   0.7505   2.7020   1.1150   2.0520   1.0040 0.6500000 1.501000 
1 1 1   33   23   12 o   1.7810   0.6320   1.6950   0.8483   1.8660   0.9372 -0.1709000 1.264000 
1 1 1   33   23   13 o   3.1110   0.9212   3.3150   1.2980   2.9080   1.3070 0.4073000 1.842000 
1 1 1   33   23   14 o   2.7660   0.8085   1.9330   0.9281   3.6000   1.3240 -1.667000 1.617000 
1 1 1   33   25    0 o   3.0260   0.7873   3.2760   1.1670   2.7760   1.0580 0.4999000 1.575000 
1 1 1   33   25    1 o   4.4700   0.7075   4.6940   1.0100   4.2450   0.9914 0.4491000 1.415000 
1 1 1   33   25    2 o   2.7280   0.7570   3.0510   1.1320   2.4050   1.0050 0.6454000 1.514000 
1 1 1   33   25    3 o   3.6420   0.7759   3.8160   1.1360   3.4680   1.0570 0.3484000 1.552000 
1 1 1   33   25    4 o   3.1230   0.7683   3.7960   1.1530   2.4500   1.0160 1.347000 1.537000 
1 1 1   33   25    5 o   2.8270   0.7775   3.1140   1.1570   2.5400   1.0390 0.5732000 1.555000 
1 1 1   33   25    6 o   7.4060   0.4634   7.1910   0.7068   7.6200   0.5994 -0.4289000 0.9267000 
1 1 1   33   25    7 o   3.7400   0.7515   2.9320   1.1340   4.5490   0.9868 -1.617000 1.503000 
1 1 1   33   25    8 o   2.1950   0.6891   1.8790   0.8999   2.5110   1.0440 -0.6319000 1.378000 
1 1 1   33   25    9 o   1.9600   0.6710   1.9830   0.9634   1.9380   0.9344 0.4523000E-01 1.342000 
1 1 1   33   25   10 o   2.1130   0.7192   2.0090   0.9731   2.2170   1.0590 -0.2079000 1.438000 
1 1 1   33   25   11 o   2.6130   0.8640   2.7300   1.2150   2.4960   1.2290 0.2340000 1.728000 
1 1 1   33   27    0 o   2.1040   0.6775   1.9730   0.9380   2.2350   0.9780 -0.2619000 1.355000 
1 1 1   33   27    1 o   2.3900   0.7180   2.8670   1.1290   1.9130   0.8871 0.9544000 1.436000 
1 1 1   33   27    2 f   2.0520   0.6663   2.0650   0.9597   2.0380   0.9244 0.2702000E-01 1.333000 
1 1 1   33   27    3 o   2.0440   0.6621   2.1110   0.9646   1.9780   0.9073 0.1324000 1.324000 
1 1 1   33   27    4 f   2.2670   0.7007   2.8340   1.1150   1.7000   0.8496 1.134000 1.401000 
1 1 1   33   27    5 o   2.1280   0.7173   1.6440   0.8253   2.6110   1.1740 -0.9665000 1.435000 
1 1 1   34    0    0 o   18.490   0.2173   18.490   0.2173   18.490   0.2173 0.000000 0.000000 
1 1 1   34    0    1 o   20.040   0.2824   20.040   0.2824   20.040   0.2824 0.000000 0.000000 
1 1 1   34    0    2 o   24.870   0.2501   24.870   0.2501   24.870   0.2501 0.000000 0.000000 
1 1 1   34    0    3 o   31.790   0.5210   31.790   0.5210   31.790   0.5210 0.000000 0.000000 
1 1 1   34    0    4 o   2.9700   1.0940   2.9700   1.0940   2.9700   1.0940 0.000000 0.000000 
1 1 1   34    0    5 o   41.930   0.3689   41.930   0.3689   41.930   0.3689 0.000000 0.000000 
1 1 1   34    0    6 o   22.090   0.2714   22.090   0.2714   22.090   0.2714 0.000000 0.000000 
1 1 1   34    0    7 o   18.220   0.2849   18.220   0.2849   18.220   0.2849 0.000000 0.000000 
1 1 1   34    0    8 o   3.5030   1.2320   3.5030   1.2320   3.5030   1.2320 0.000000 0.000000 
1 1 1   34    0    9 o   9.9110   0.5417   9.9110   0.5417   9.9110   0.5417 0.000000 0.000000 
1 1 1   34    0   10 o   34.330   0.3387   34.330   0.3387   34.330   0.3387 0.000000 0.000000 
1 1 1   34    0   11 o   16.650   0.3838   16.650   0.3838   16.650   0.3838 0.000000 0.000000 
1 1 1   34    0   12 o   14.460   0.3600   14.460   0.3600   14.460   0.3600 0.000000 0.000000 
1 1 1   34    0   13 o   4.8070   1.0470   4.8070   1.0470   4.8070   1.0470 0.000000 0.000000 
1 1 1   34    0   14 o   18.270   0.3324   18.270   0.3324   18.270   0.3324 0.000000 0.000000 
1 1 1   34    0   15 o   8.5750   0.7340   8.5750   0.7340   8.5750   0.7340 0.000000 0.000000 
1 1 1   34    0   16 o   11.390   0.8742   11.390   0.8742   11.390   0.8742 0.000000 0.000000 
1 1 1   34    0   17 o   6.0770   1.0490   6.0770   1.0490   6.0770   1.0490 0.000000 0.000000 
1 1 1   34    0   18 o   1.4740   1.0290   1.4740   1.0290   1.4740   1.0290 0.000000 0.000000 
1 1 1   34    0   19 o   6.0430   0.9074   6.0430   0.9074   6.0430   0.9074 0.000000 0.000000 
1 1 1   34    0   20 o   4.3750   1.2810   4.3750   1.2810   4.3750   1.2810 0.000000 0.000000 
1 1 1   34    0   21 o   6.7870   0.7452   6.7870   0.7452   6.7870   0.7452 0.000000 0.000000 
1 1 1   34    0   22 o   5.3050   1.0130   5.3050   1.0130   5.3050   1.0130 0.000000 0.000000 
1 1 1   34    0   23 o   3.3960   1.5820   3.3960   1.5820   3.3960   1.5820 0.000000 0.000000 
1 1 1   34    0   24 f   1.7620   1.1470   1.7620   1.1470   1.7620   1.1470 0.000000 0.000000 
1 1 1   34    0   25 o   3.9480   1.4210   3.9480   1.4210   3.9480   1.4210 0.000000 0.000000 
1 1 1   34    0   26 o   1.5180   1.0400   1.5180   1.0400   1.5180   1.0400 0.000000 0.000000 
1 1 1   34    0   27 o   1.5040   1.0900   1.5040   1.0900   1.5040   1.0900 0.000000 0.000000 
1 1 1   34    2    0 f   22.160   0.1815   22.350   0.2846   21.970   0.2254 0.3879000 0.3631000 
1 1 1   34    2    1 o   34.820   0.2682   34.460   0.3763   35.170   0.3823 -0.7156000 0.5364000 
1 1 1   34    2    2 o   14.990   0.3074   14.990   0.3074  ?   ?       ?      ? 
1 1 1   34    2    3 o   17.620   0.2973   17.120   0.5093   18.120   0.3069 -0.9982000 0.5947000 
1 1 1   34    2    4 o   12.070   0.3565   11.690   0.6109   12.450   0.3678 -0.7644000 0.7131000 
1 1 1   34    2    5 o   20.850   0.2120   21.100   0.3327   20.600   0.2628 0.4957000 0.4239000 
1 1 1   34    2    6 o   30.430   0.2413   30.380   0.3774   30.470   0.3007 -0.9299000E-01 0.4825000 
1 1 1   34    2    7 o   12.940   0.2689   12.780   0.4269   13.100   0.3270 -0.3122000 0.5377000 
1 1 1   34    2    8 o   9.5760   0.3061   9.6560   0.4328   9.4950   0.4330 0.1605000 0.6122000 
1 1 1   34    2    9 o   7.0560   0.4191   7.1590   0.5884   6.9520   0.5970 0.2065000 0.8383000 
1 1 1   34    2   10 o   6.3160   0.4884   5.8770   0.7390   6.7540   0.6386 -0.8767000 0.9767000 
1 1 1   34    2   11 o   6.9190   0.5526   6.9750   0.7480   6.8640   0.8135 0.1108000 1.105000 
1 1 1   34    2   12 o   5.2470   0.6887   4.3500   1.0320   6.1440   0.9129 -1.794000 1.377000 
1 1 1   34    2   13 o   11.650   0.3346   11.620   0.4325   11.680   0.5106 -0.6077000E-01 0.6692000 
1 1 1   34    2   14 o   7.0240   0.5541   5.7330   0.8463   8.3160   0.7156 -2.582000 1.108000 
1 1 1   34    2   15 o   6.7760   0.6144   7.9170   0.6118   5.6340   1.0660 2.283000 1.229000 
1 1 1   34    2   16 o   6.1850   1.0110   6.7000   1.3880   5.6690   1.4690 1.031000 2.021000 
1 1 1   34    2   17 o   3.3290   0.8066   3.1700   1.1360   3.4870   1.1450 -0.3168000 1.613000 
1 1 1   34    2   18 o   3.5490   0.8638   3.8650   1.2950   3.2340   1.1440 0.6307000 1.728000 
1 1 1   34    2   19 o   5.5110   0.7236   5.1000   1.1850   5.9210   0.8307 -0.8209000 1.447000 
1 1 1   34    2   20 o   4.6260   0.7980   3.8080   1.3090   5.4440   0.9125 -1.636000 1.596000 
1 1 1   34    2   21 o   2.6810   0.8002   2.9520   1.2140   2.4090   1.0430 0.5426000 1.600000 
1 1 1   34    2   22 o   2.1250   0.6912   2.0570   0.9572   2.1930   0.9975 -0.1367000 1.382000 
1 1 1   34    2   23 o   3.2450   0.8837   3.4040   1.2680   3.0860   1.2310 0.3183000 1.767000 
1 1 1   34    2   24 o   2.3200   0.7229   2.6710   1.1100   1.9680   0.9270 0.7029000 1.446000 
1 1 1   34    2   25 o   2.9640   0.8154   3.2650   1.1940   2.6630   1.1110 0.6024000 1.631000 
1 1 1   34    2   26 o   1.9610   0.6585   2.3510   1.0530   1.5720   0.7916 0.7785000 1.317000 
1 1 1   34    2   27 o   2.1070   1.0580   2.1070   1.0580  ?   ?       ?      ? 
1 1 1   34    4    0 o   27.820   0.2024   27.800   0.2610   27.830   0.3095 -0.3278000E-01 0.4049000 
1 1 1   34    4    1 o   12.150   0.1860   12.240   0.2464   12.050   0.2787 0.1872000 0.3720000 
1 1 1   34    4    2 o   20.530   0.1685   20.720   0.2395   20.340   0.2372 0.3801000 0.3371000 
1 1 1   34    4    3 o   28.610   0.2446   28.490   0.3467   28.720   0.3452 -0.2311000 0.4892000 
1 1 1   34    4    4 f   21.700   0.1826   21.870   0.2592   21.530   0.2572 0.3400000 0.3652000 
1 1 1   34    4    5 o   9.6260   0.2606   9.6650   0.3666   9.5880   0.3703 0.7681000E-01 0.5211000 
1 1 1   34    4    6 o   23.860   0.1973   23.970   0.2808   23.740   0.2772 0.2324000 0.3945000 
1 1 1   34    4    7 o   10.330   0.2790   10.690   0.3837   9.9600   0.4052 0.7313000 0.5580000 
1 1 1   34    4    8 f   13.100   0.2452   12.880   0.3522   13.310   0.3412 -0.4374000 0.4904000 
1 1 1   34    4    9 o   11.590   0.2766   11.870   0.3865   11.320   0.3959 0.5542000 0.5533000 
1 1 1   34    4   10 o   3.3250   0.7929   3.9410   1.1330   2.7090   1.1100 1.232000 1.586000 
1 1 1   34    4   11 o   4.4860   0.9162   4.8160   1.1620   4.1560   1.4170 0.6602000 1.832000 
1 1 1   34    4   12 o   3.9310   0.8361   3.3260   1.2330   4.5360   1.1290 -1.210000 1.672000 
1 1 1   34    4   13 o   10.810   0.3886   10.810   0.3886  ?   ?       ?      ? 
1 1 1   34    4   14 o   11.350   0.2935   11.360   0.3806   11.330   0.4470 0.3628000E-01 0.5871000 
1 1 1   34    4   15 o   3.0270   0.8166   2.3970   1.0360   3.6580   1.2630 -1.261000 1.633000 
1 1 1   34    4   16 o   10.760   0.3811   10.550   0.4840   10.980   0.5889 -0.4291000 0.7622000 
1 1 1   34    4   17 o   5.9740   0.5332   6.0080   0.6855   5.9390   0.8170 0.6807000E-01 1.066000 
1 1 1   34    4   18 o   3.0970   0.7645   3.4110   1.0590   2.7820   1.1030 0.6290000 1.529000 
1 1 1   34    4   19 o   3.5180   0.7427   4.2160   0.9892   2.8200   1.1080 1.397000 1.485000 
1 1 1   34    4   20 o   4.6250   0.6944   5.2940   0.8081   3.9560   1.1290 1.338000 1.389000 
1 1 1   34    4   21 o   2.5380   0.7421   2.7450   1.0670   2.3320   1.0320 0.4132000 1.484000 
1 1 1   34    4   22 f   3.4240   0.8472   2.9670   1.2300   3.8820   1.1650 -0.9145000 1.694000 
1 1 1   34    4   23 o   3.1350   0.9380   3.6930   1.4870   2.5780   1.1440 1.115000 1.876000 
1 1 1   34    4   24 o   1.9870   0.6730   1.9330   0.9483   2.0420   0.9553 -0.1086000 1.346000 
1 1 1   34    4   25 o   2.3440   0.7411   2.0420   0.9928   2.6460   1.1010 -0.6048000 1.482000 
1 1 1   34    4   26 o   2.5680   0.7746   2.3550   1.0550   2.7810   1.1340 -0.4259000 1.549000 
1 1 1   34    6    0 o   17.480   0.1822   17.250   0.2984   17.700   0.2090 -0.4468000 0.3643000 
1 1 1   34    6    1 o   22.690   0.1770   22.860   0.2496   22.530   0.2509 0.3302000 0.3539000 
1 1 1   34    6    2 o   25.760   0.2341   25.670   0.3292   25.850   0.3329 -0.1759000 0.4682000 
1 1 1   34    6    3 o   18.720   0.3193  ?   ?    18.720   0.3193      ?      ? 
1 1 1   34    6    4 o   4.7350   0.5205   4.2920   0.8003   5.1780   0.6657 -0.8864000 1.041000 
1 1 1   34    6    5 o   9.7700   0.2720   9.6260   0.3869   9.9140   0.3824 -0.2883000 0.5440000 
1 1 1   34    6    6 o   20.070   0.1977   19.950   0.2782   20.200   0.2809 -0.2544000 0.3954000 
1 1 1   34    6    7 o   22.900   0.2043   23.100   0.2889   22.690   0.2890 0.4167000 0.4086000 
1 1 1   34    6    8 o   18.620   0.2645   18.080   0.4029   19.160   0.3429 -1.082000 0.5290000 
1 1 1   34    6    9 f   13.270   0.2884   13.250   0.4069   13.280   0.4090 -0.2536000E-01 0.5769000 
1 1 1   34    6   10 o   26.080   0.2420   26.020   0.3149   26.150   0.3676 -0.1228000 0.4841000 
1 1 1   34    6   11 o   4.6240   0.9264   4.6090   1.1960   4.6390   1.4150 -0.3017000E-01 1.853000 
1 1 1   34    6   12 o   4.9280   0.6481   5.7540   0.7762   4.1020   1.0380 1.651000 1.296000 
1 1 1   34    6   13 o   5.2250   0.6250   5.2220   0.8832   5.2270   0.8845 -0.5083000E-02 1.250000 
1 1 1   34    6   14 o   14.610   0.2951   14.280   0.3833   14.940   0.4489 -0.6606000 0.5903000 
1 1 1   34    6   15 o   10.520   0.3433   10.210   0.4910   10.840   0.4800 -0.6257000 0.6867000 
1 1 1   34    6   16 o   4.5920   0.8661   3.7860   1.3030   5.3980   1.1410 -1.612000 1.732000 
1 1 1   34    6   17 o   2.4310   0.7371   2.1790   0.9875   2.6830   1.0940 -0.5043000 1.474000 
1 1 1   34    6   18 f   6.3790   0.5018   6.0380   0.6905   6.7200   0.7284 -0.6811000 1.004000 
1 1 1   34    6   19 o   2.9190   0.7701   2.5440   1.0280   3.2950   1.1470 -0.7501000 1.540000 
1 1 1   34    6   20 o   2.2290   0.6983   2.1380   0.9492   2.3200   1.0250 -0.1820000 1.397000 
1 1 1   34    6   21 f   1.8980   0.6298   1.5310   0.7536   2.2640   1.0090 -0.7324000 1.260000 
1 1 1   34    6   22 o   2.2680   0.7040   2.7230   1.1030   1.8120   0.8748 0.9117000 1.408000 
1 1 1   34    6   23 o   4.1790   0.8679   3.8240   1.1810   4.5350   1.2720 -0.7107000 1.736000 
1 1 1   34    6   24 o   5.8600   0.6025   5.3000   0.8980   6.4200   0.8035 -1.121000 1.205000 
1 1 1   34    6   25 o   2.0790   0.6806   1.7820   0.8776   2.3770   1.0410 -0.5951000 1.361000 
1 1 1   34    6   26 o   2.1790   0.7632   2.5220   1.2260   1.8370   0.9094 0.6854000 1.526000 
1 1 1   34    8    0 o   16.890   0.1688   16.660   0.2496   17.110   0.2274 -0.4532000 0.3376000 
1 1 1   34    8    1 o   12.380   0.2427   12.400   0.3717   12.360   0.3123 0.3854000E-01 0.4855000 
1 1 1   34    8    2 o   11.450   0.2262   11.190   0.3197   11.710   0.3202 -0.5177000 0.4525000 
1 1 1   34    8    3 o   20.930   0.1928   20.920   0.2711   20.940   0.2743 -0.1996000E-01 0.3856000 
1 1 1   34    8    4 o   7.7670   0.3346   7.6210   0.4734   7.9130   0.4729 -0.2918000 0.6692000 
1 1 1   34    8    5 o   22.660   0.2163   23.110   0.3240   22.210   0.2866 0.9020000 0.4326000 
1 1 1   34    8    6 o   10.110   0.3085   10.260   0.4055   9.9690   0.4651 0.2895000 0.6170000 
1 1 1   34    8    7 o   18.890   0.2415   19.010   0.3396   18.760   0.3436 0.2422000 0.4831000 
1 1 1   34    8    8 o   7.0290   0.4711   6.8840   0.6728   7.1730   0.6595 -0.2885000 0.9421000 
1 1 1   34    8    9 o   8.2940   0.3737   8.0290   0.5470   8.5600   0.5095 -0.5315000 0.7475000 
1 1 1   34    8   10 o   7.7110   0.5357   7.6770   0.7712   7.7450   0.7437 -0.6842000E-01 1.071000 
1 1 1   34    8   11 o   13.030   0.2824   13.400   0.3931   12.660   0.4055 0.7404000 0.5647000 
1 1 1   34    8   12 o   14.520   0.2666   14.090   0.3902   14.950   0.3634 -0.8561000 0.5332000 
1 1 1   34    8   13 o   3.9060   0.8305   3.5970   1.1440   4.2160   1.2040 -0.6189000 1.661000 
1 1 1   34    8   14 o   3.7700   0.7959   3.7510   1.1330   3.7890   1.1190 -0.3832000E-01 1.592000 
1 1 1   34    8   15 o   8.6710   0.5195   9.4290   0.7102   7.9120   0.7584 1.517000 1.039000 
1 1 1   34    8   16 o   9.3610   0.3803   9.1960   0.5490   9.5260   0.5263 -0.3299000 0.7606000 
1 1 1   34    8   17 o   5.8640   0.5758   5.9000   0.8088   5.8290   0.8198 0.7017000E-01 1.152000 
1 1 1   34    8   18 o   7.8100   0.4431   7.4370   0.6544   8.1840   0.5977 -0.7470000 0.8863000 
1 1 1   34    8   19 o   3.0990   0.7903   2.7100   1.0990   3.4890   1.1360 -0.7788000 1.581000 
1 1 1   34    8   20 o   2.8130   0.7638   3.4300   1.1600   2.1960   0.9943 1.235000 1.528000 
1 1 1   34    8   21 o   3.3070   0.7899   2.4690   1.1010   4.1440   1.1330 -1.675000 1.580000 
1 1 1   34    8   22 o   3.4770   0.8261   3.7500   1.1680   3.2040   1.1680 0.5458000 1.652000 
1 1 1   34    8   23 o   2.7560   0.8177   2.7930   1.1430   2.7180   1.1690 0.7508000E-01 1.635000 
1 1 1   34    8   24 o   2.3610   0.7280   2.5360   1.0610   2.1850   0.9974 0.3505000 1.456000 
1 1 1   34    8   25 o   2.8000   0.7908   2.7860   1.1080   2.8130   1.1280 -0.2707000E-01 1.582000 
1 1 1   34   10    0 o   27.390   0.1913   27.010   0.2854   27.760   0.2549 -0.7431000 0.3827000 
1 1 1   34   10    1 o   17.060   0.1900   16.860   0.2801   17.260   0.2567 -0.3990000 0.3799000 
1 1 1   34   10    2 o   22.620   0.2033   22.500   0.3188   22.750   0.2524 -0.2442000 0.4066000 
1 1 1   34   10    3 f   28.400   0.2131   28.160   0.2986   28.640   0.3041 -0.4818000 0.4261000 
1 1 1   34   10    4 o   14.090   0.2454   13.520   0.3297   14.660   0.3635 -1.136000 0.4908000 
1 1 1   34   10    5 o   17.110   0.2448   16.850   0.3466   17.370   0.3456 -0.5134000 0.4895000 
1 1 1   34   10    6 o   6.0490   0.5366   5.8370   0.7947   6.2610   0.7212 -0.4234000 1.073000 
1 1 1   34   10    7 o   4.6840   0.6442   4.7300   0.9023   4.6380   0.9197 0.9298000E-01 1.288000 
1 1 1   34   10    8 o   15.770   0.2339   15.770   0.3356   15.760   0.3260 0.8295000E-02 0.4678000 
1 1 1   34   10    9 o   15.300   0.3139   14.780   0.4518   15.810   0.4358 -1.030000 0.6277000 
1 1 1   34   10   10 o   7.2980   0.4391   6.5240   0.6778   8.0720   0.5583 -1.548000 0.8782000 
1 1 1   34   10   11 o   7.5940   0.4247   7.0130   0.6453   8.1760   0.5522 -1.163000 0.8493000 
1 1 1   34   10   12 o   5.9210   0.5963   6.1160   0.7510   5.7260   0.9265 0.3895000 1.193000 
1 1 1   34   10   13 o   7.3970   0.4480   6.9470   0.6696   7.8470   0.5955 -0.8991000 0.8961000 
1 1 1   34   10   14 o   7.0680   0.6354   8.3330   0.7551   5.8040   1.0220 2.530000 1.271000 
1 1 1   34   10   15 o   5.6990   0.6142   5.5910   0.8961   5.8070   0.8403 -0.2160000 1.228000 
1 1 1   34   10   16 o   2.3150   0.7190   2.0410   0.9538   2.5890   1.0760 -0.5484000 1.438000 
1 1 1   34   10   17 o   2.9850   0.7836   3.5570   1.1730   2.4140   1.0400 1.143000 1.567000 
1 1 1   34   10   18 o   4.7740   0.7358   4.2520   1.1490   5.2950   0.9193 -1.042000 1.472000 
1 1 1   34   10   19 o   2.0340   0.6668   1.7110   0.8411   2.3580   1.0350 -0.6470000 1.334000 
1 1 1   34   10   20 o   2.6590   0.7810   2.6730   1.1180   2.6450   1.0900 0.2748000E-01 1.562000 
1 1 1   34   10   21 o   2.1250   0.7013   2.6500   1.1580   1.6010   0.7919 1.049000 1.403000 
1 1 1   34   10   22 o   2.4980   0.8005   2.6050   1.1670   2.3900   1.0960 0.2154000 1.601000 
1 1 1   34   10   23 o   2.1500   0.6995   2.2320   1.0210   2.0670   0.9567 0.1645000 1.399000 
1 1 1   34   10   24 o   1.9190   0.6514   2.0730   0.9796   1.7650   0.8588 0.3079000 1.303000 
1 1 1   34   10   25 o   2.4580   0.7782   2.6860   1.1510   2.2300   1.0480 0.4564000 1.556000 
1 1 1   34   12    0 o   26.200   0.1949   26.040   0.2904   26.350   0.2598 -0.3099000 0.3897000 
1 1 1   34   12    1 f   23.150   0.2202   23.180   0.3301   23.130   0.2914 0.4818000E-01 0.4403000 
1 1 1   34   12    2 o   15.010   0.2528   14.920   0.3468   15.100   0.3679 -0.1823000 0.5056000 
1 1 1   34   12    3 o   22.760   0.2416   22.690   0.3357   22.830   0.3476 -0.1383000 0.4832000 
1 1 1   34   12    4 o   22.090   0.2280   21.870   0.2993   22.310   0.3440 -0.4428000 0.4560000 
1 1 1   34   12    5 o   3.1130   0.7261   2.4390   1.0060   3.7870   1.0470 -1.348000 1.452000 
1 1 1   34   12    6 o   11.770   0.2818   11.520   0.4043   12.010   0.3926 -0.4846000 0.5636000 
1 1 1   34   12    7 o   13.820   0.2612   13.310   0.3711   14.330   0.3677 -1.019000 0.5225000 
1 1 1   34   12    8 o   7.9420   0.5348   7.0130   0.8197   8.8720   0.6871 -1.859000 1.070000 
1 1 1   34   12    9 o   7.6880   0.4072   7.5280   0.5817   7.8490   0.5700 -0.3210000 0.8144000 
1 1 1   34   12   10 o   2.1820   0.6854   2.5600   1.0560   1.8050   0.8742 0.7558000 1.371000 
1 1 1   34   12   11 o   5.3420   0.6184   5.4480   0.8612   5.2370   0.8877 0.2109000 1.237000 
1 1 1   34   12   12 o   5.9860   0.5497   5.7080   0.8268   6.2640   0.7248 -0.5552000 1.099000 
1 1 1   34   12   13 o   7.2540   0.5925   6.7670   0.9273   7.7420   0.7377 -0.9750000 1.185000 
1 1 1   34   12   14 o   3.4480   0.7856   3.9930   1.1150   2.9040   1.1070 1.089000 1.571000 
1 1 1   34   12   15 o   3.3080   0.7979   3.2670   1.1330   3.3480   1.1240 -0.8070000E-01 1.596000 
1 1 1   34   12   16 o   2.7870   0.7609   3.1770   1.1230   2.3970   1.0270 0.7792000 1.522000 
1 1 1   34   12   17 o   3.5560   0.8086   3.5040   1.1570   3.6090   1.1300 -0.1048000 1.617000 
1 1 1   34   12   18 o   2.1740   0.6910   2.5250   1.0700   1.8240   0.8741 0.7007000 1.382000 
1 1 1   34   12   19 o   2.6900   0.7663   3.5200   1.2490   1.8610   0.8887 1.660000 1.533000 
1 1 1   34   12   20 o   2.6190   0.7660   2.2900   1.0340   2.9480   1.1310 -0.6582000 1.532000 
1 1 1   34   12   21 o   4.9240   0.8695   6.3160   1.1430   3.5320   1.3110 2.784000 1.739000 
1 1 1   34   12   22 o   2.5700   0.7747   2.3300   1.0540   2.8100   1.1360 -0.4799000 1.549000 
1 1 1   34   12   23 o   2.5140   0.7756   2.7880   1.1780   2.2390   1.0100 0.5487000 1.551000 
1 1 1   34   12   24 o   2.4040   0.7748   2.1000   0.9951   2.7080   1.1880 -0.6076000 1.550000 
1 1 1   34   14    0 o   4.2490   0.8031   4.3190   0.8931   4.1790   1.3350 0.1393000 1.606000 
1 1 1   34   14    1 f   23.670   0.2304   23.700   0.3021   23.650   0.3478 0.4857000E-01 0.4607000 
1 1 1   34   14    2 o   16.810   0.2387   17.050   0.3176   16.560   0.3565 0.4908000 0.4775000 
1 1 1   34   14    3 o   10.940   0.3095   10.660   0.4215   11.220   0.4533 -0.5593000 0.6190000 
1 1 1   34   14    4 o   12.620   0.2605   12.640   0.3812   12.590   0.3552 0.4740000E-01 0.5211000 
1 1 1   34   14    5 o   8.2990   0.3592   8.3130   0.5179   8.2840   0.4979 0.2947000E-01 0.7184000 
1 1 1   34   14    6 o   3.3050   0.8624   3.5280   1.2120   3.0820   1.2270 0.4463000 1.725000 
1 1 1   34   14    7 o   11.090   0.3237   11.000   0.4272   11.180   0.4865 -0.1769000 0.6474000 
1 1 1   34   14    8 o   2.5170   0.7493   2.4620   1.0350   2.5720   1.0840 -0.1103000 1.499000 
1 1 1   34   14    9 o   9.4590   0.3604   9.7190   0.4937   9.1990   0.5251 0.5202000 0.7208000 
1 1 1   34   14   10 o   4.7310   0.6771   4.5630   0.9923   4.8980   0.9216 -0.3343000 1.354000 
1 1 1   34   14   11 o   2.2000   0.6940   2.3030   1.0090   2.0980   0.9532 0.2053000 1.388000 
1 1 1   34   14   12 o   5.0010   0.8213   4.1510   1.3100   5.8510   0.9904 -1.701000 1.643000 
1 1 1   34   14   13 o   8.5730   0.4076   8.8000   0.5639   8.3460   0.5887 0.4545000 0.8152000 
1 1 1   34   14   14 o   2.6060   0.7443   3.0350   1.1200   2.1760   0.9811 0.8587000 1.489000 
1 1 1   34   14   15 o   5.0280   0.6805   6.0840   0.7778   3.9710   1.1170 2.113000 1.361000 
1 1 1   34   14   16 o   3.4780   0.8120   3.2760   1.1530   3.6800   1.1440 -0.4048000 1.624000 
1 1 1   34   14   17 o   1.9060   0.6382   1.7830   0.8615   2.0290   0.9418 -0.2462000 1.276000 
1 1 1   34   14   18 o   4.5760   0.7808   4.2170   1.2290   4.9340   0.9638 -0.7169000 1.562000 
1 1 1   34   14   19 o   2.8280   0.7578   2.1290   0.9794   3.5280   1.1570 -1.399000 1.516000 
1 1 1   34   14   20 o   4.5060   0.9261   4.7580   1.3020   4.2530   1.3180 0.5052000 1.852000 
1 1 1   34   14   21 o   1.8660   0.6426   1.7990   0.8962   1.9330   0.9211 -0.1339000 1.285000 
1 1 1   34   14   22 o   1.9170   0.6479   2.3220   1.0450   1.5110   0.7657 0.8106000 1.296000 
1 1 1   34   14   23 o   2.4730   0.8277   2.4940   1.1560   2.4520   1.1850 0.4216000E-01 1.655000 
1 1 1   34   16    0 o   8.0740   0.4088   8.6970   0.4979   7.4510   0.6485 1.247000 0.8176000 
1 1 1   34   16    1 o   20.100   0.3193   20.100   0.3193  ?   ?       ?      ? 
1 1 1   34   16    2 o   15.360   0.3129   15.500   0.3443   15.210   0.5226 0.2873000 0.6258000 
1 1 1   34   16    3 o   5.4770   0.8905   3.6300   1.2200   7.3240   1.2970 -3.694000 1.781000 
1 1 1   34   16    4 o   7.9580   0.4474   8.1300   0.6910   7.7860   0.5686 0.3440000 0.8949000 
1 1 1   34   16    5 o   14.860   0.2429   14.860   0.3587   14.860   0.3276 -0.2856000E-02 0.4858000 
1 1 1   34   16    6 o   3.6870   0.7538   3.9450   1.0640   3.4300   1.0680 0.5149000 1.508000 
1 1 1   34   16    7 o   3.6640   0.7666   3.0160   1.0960   4.3130   1.0720 -1.297000 1.533000 
1 1 1   34   16    8 o   2.6200   0.7311   1.9850   0.9211   3.2550   1.1360 -1.270000 1.462000 
1 1 1   34   16    9 o   2.2250   0.7004   2.1200   0.9602   2.3300   1.0200 -0.2105000 1.401000 
1 1 1   34   16   10 o   5.0080   0.8409   4.2850   1.3090   5.7320   1.0550 -1.447000 1.682000 
1 1 1   34   16   11 o   10.250   0.3530   10.340   0.4957   10.160   0.5028 0.1781000 0.7061000 
1 1 1   34   16   12 o   10.020   0.3562   9.9460   0.5104   10.080   0.4970 -0.1385000 0.7124000 
1 1 1   34   16   13 f   6.9270   0.4949   6.9080   0.7042   6.9460   0.6955 -0.3737000E-01 0.9898000 
1 1 1   34   16   14 o   4.3230   0.7612   4.9880   0.9946   3.6570   1.1530 1.330000 1.522000 
1 1 1   34   16   15 o   4.5280   0.7552   4.2110   1.1210   4.8450   1.0130 -0.6344000 1.510000 
1 1 1   34   16   16 o   2.9060   0.8058   2.5740   1.1260   3.2380   1.1530 -0.6645000 1.612000 
1 1 1   34   16   17 o   2.9730   0.8015   2.8930   1.1460   3.0530   1.1210 -0.1602000 1.603000 
1 1 1   34   16   18 o   1.7670   0.6067   2.0260   0.9523   1.5090   0.7520 0.5171000 1.213000 
1 1 1   34   16   19 o   2.4750   0.7909   2.1400   1.0240   2.8100   1.2050 -0.6698000 1.582000 
1 1 1   34   16   20 o   2.9990   0.8028   3.4610   1.1900   2.5380   1.0780 0.9227000 1.606000 
1 1 1   34   16   21 o   1.7170   0.5989   1.7120   0.8404   1.7220   0.8534 -0.1021000E-01 1.198000 
1 1 1   34   18    0 o   7.0960   0.5046   7.7020   0.7282   6.4900   0.6987 1.212000 1.009000 
1 1 1   34   18    1 o   4.9890   0.5929   5.6240   0.7664   4.3540   0.9048 1.270000 1.186000 
1 1 1   34   18    2 o   5.6680   0.5321   6.3920   0.6916   4.9440   0.8089 1.448000 1.064000 
1 1 1   34   18    3 o   8.5210   0.3603   8.7790   0.5226   8.2620   0.4960 0.5168000 0.7205000 
1 1 1   34   18    4 o   4.6550   0.7817   5.6820   0.7905   3.6290   1.3490 2.053000 1.563000 
1 1 1   34   18    5 o   2.7290   0.8138   2.6010   1.0640   2.8560   1.2310 -0.2553000 1.628000 
1 1 1   34   18    6 o   9.9080   0.4499   10.660   0.4707   9.1600   0.7668 1.495000 0.8997000 
1 1 1   34   18    7 o   3.1760   0.8527   3.4700   1.2840   2.8830   1.1220 0.5876000 1.705000 
1 1 1   34   18    8 o   4.2940   0.7467   2.9300   1.2130   5.6570   0.8716 -2.727000 1.493000 
1 1 1   34   18    9 o   3.7140   0.8123   3.8190   1.1300   3.6080   1.1670 0.2105000 1.625000 
1 1 1   34   18   10 o   3.7290   0.8125   3.4890   1.1440   3.9680   1.1540 -0.4790000 1.625000 
1 1 1   34   18   11 f   3.4720   0.8026   2.9740   1.1310   3.9690   1.1390 -0.9946000 1.605000 
1 1 1   34   18   12 o   5.3270   0.6709   4.5790   1.0700   6.0750   0.8094 -1.495000 1.342000 
1 1 1   34   18   13 o   2.3050   0.7215   2.3910   1.0430   2.2200   0.9973 0.1717000 1.443000 
1 1 1   34   18   14 o   6.1050   0.6253   5.9220   0.9696   6.2880   0.7897 -0.3658000 1.251000 
1 1 1   34   18   15 o   5.8710   0.6065   5.6070   0.9152   6.1340   0.7961 -0.5268000 1.213000 
1 1 1   34   18   16 o   2.1660   0.6894   1.7190   0.8419   2.6130   1.0920 -0.8944000 1.379000 
1 1 1   34   18   17 o   3.4680   0.8096   4.3870   1.1340   2.5480   1.1550 1.839000 1.619000 
1 1 1   34   18   18 o   3.2440   0.9118   3.4250   1.3170   3.0630   1.2610 0.3616000 1.824000 
1 1 1   34   18   19 o   2.0350   0.6752   2.2060   1.0110   1.8630   0.8951 0.3433000 1.350000 
1 1 1   34   18   20 o   2.3330   0.7928   2.3370   1.1030   2.3300   1.1390 0.6497000E-02 1.586000 
1 1 1   34   20    0 o   8.2210   0.3667   8.2130   0.5438   8.2280   0.4922 -0.1453000E-01 0.7335000 
1 1 1   34   20    1 o   4.3330   0.6846   4.0130   1.0630   4.6530   0.8631 -0.6397000 1.369000 
1 1 1   34   20    2 o   8.2160   0.3813   8.3330   0.5656   8.0980   0.5115 0.2353000 0.7626000 
1 1 1   34   20    3 o   6.7370   0.4568   7.0170   0.6671   6.4560   0.6241 0.5610000 0.9135000 
1 1 1   34   20    4 o   5.1510   0.7513   6.0120   1.0400   4.2890   1.0850 1.723000 1.503000 
1 1 1   34   20    5 o   2.9200   0.8285   2.9400   1.2140   2.9000   1.1270 0.4029000E-01 1.657000 
1 1 1   34   20    6 o   4.7540   0.6611   3.2690   1.1390   6.2390   0.6722 -2.970000 1.322000 
1 1 1   34   20    7 o   6.1000   0.6022   6.5410   0.7382   5.6590   0.9515 0.8817000 1.204000 
1 1 1   34   20    8 o   5.0770   0.8039   6.4140   0.7706   3.7400   1.4110 2.674000 1.608000 
1 1 1   34   20    9 o   9.3570   0.5151   9.8500   0.5187   8.8640   0.8902 0.9856000 1.030000 
1 1 1   34   20   10 f   4.9580   0.7255   6.5150   0.7736   3.4020   1.2280 3.113000 1.451000 
1 1 1   34   20   11 o   4.4200   0.8181   5.4300   1.0950   3.4090   1.2160 2.021000 1.636000 
1 1 1   34   20   12 o   4.9150   0.7670   5.9360   0.9639   3.8950   1.1930 2.041000 1.534000 
1 1 1   34   20   13 o   3.4260   0.7985   2.7860   1.1240   4.0660   1.1340 -1.281000 1.597000 
1 1 1   34   20   14 o   2.6460   0.7623   2.1390   0.9819   3.1530   1.1660 -1.014000 1.525000 
1 1 1   34   20   15 o   1.8300   0.6233   2.0140   0.9440   1.6460   0.8143 0.3675000 1.247000 
1 1 1   34   20   16 o   2.3960   0.7858   2.2800   1.0710   2.5120   1.1500 -0.2314000 1.572000 
1 1 1   34   20   17 o   2.6670   0.8037   2.2120   1.0130   3.1220   1.2480 -0.9093000 1.607000 
1 1 1   34   20   18 o   2.2600   0.7798   1.8070   0.9035   2.7140   1.2710 -0.9067000 1.560000 
1 1 1   34   22    0 f   2.9210   0.7908   3.7970   1.2690   2.0460   0.9443 1.750000 1.582000 
1 1 1   34   22    1 o   4.5230   0.6720   3.8900   1.0850   5.1560   0.7924 -1.267000 1.344000 
1 1 1   34   22    2 o   3.3870   0.7536   3.9170   1.0840   2.8570   1.0470 1.060000 1.507000 
1 1 1   34   22    3 o   4.9920   0.6264   5.5260   0.8300   4.4580   0.9384 1.068000 1.253000 
1 1 1   34   22    4 f   4.3330   0.7090   4.8580   0.9705   3.8080   1.0340 1.050000 1.418000 
1 1 1   34   22    5 o   2.0030   0.6494   1.8590   0.8824   2.1470   0.9529 -0.2880000 1.299000 
1 1 1   34   22    6 o   3.1180   0.7414   2.3820   1.0350   3.8550   1.0610 -1.473000 1.483000 
1 1 1   34   22    7 o   7.8530   0.4866   7.9890   0.7159   7.7170   0.6592 0.2719000 0.9732000 
1 1 1   34   22    8 o   3.5000   0.8342   4.0010   1.2200   2.9990   1.1380 1.002000 1.668000 
1 1 1   34   22    9 o   4.2690   0.7098   3.1820   1.1490   5.3560   0.8332 -2.174000 1.420000 
1 1 1   34   22   10 o   2.7350   0.7406   2.1730   0.9911   3.2960   1.1010 -1.123000 1.481000 
1 1 1   34   22   11 o   2.3410   0.7439   2.0370   0.9561   2.6450   1.1400 -0.6077000 1.488000 
1 1 1   34   22   12 o   2.2130   0.7471   1.9620   0.9320   2.4650   1.1680 -0.5031000 1.494000 
1 1 1   34   22   13 o   6.6290   0.9897   8.2650   0.6764   4.9930   1.8600 3.273000 1.979000 
1 1 1   34   22   14 o   3.0850   0.8872   3.8360   1.3420   2.3330   1.1610 1.503000 1.774000 
1 1 1   34   22   15 o   2.7150   0.8603   2.2480   1.0260   3.1810   1.3810 -0.9328000 1.721000 
1 1 1   34   24    0 o   2.1300   0.6928   2.2180   1.0170   2.0410   0.9406 0.1771000 1.386000 
1 1 1   34   24    1 o   3.0920   0.7549   2.2650   1.0310   3.9190   1.1030 -1.654000 1.510000 
1 1 1   34   24    2 o   3.8990   0.8286   4.0210   1.2180   3.7780   1.1240 0.2431000 1.657000 
1 1 1   34   24    3 o   3.5090   0.8331   3.4430   1.2230   3.5750   1.1320 -0.1317000 1.666000 
1 1 1   34   24    4 o   2.1030   0.6751   2.2050   0.9924   2.0020   0.9154 0.2033000 1.350000 
1 1 1   34   24    5 o   1.9750   0.6486   1.9020   0.9017   2.0480   0.9325 -0.1461000 1.297000 
1 1 1   34   24    6 o   3.0180   0.7750   2.7550   1.1090   3.2820   1.0830 -0.5272000 1.550000 
1 1 1   34   24    7 o   7.0270   0.4781   6.9490   0.7189   7.1060   0.6304 -0.1566000 0.9561000 
1 1 1   34   24    8 o   2.2720   0.7102   2.3630   1.0390   2.1810   0.9686 0.1821000 1.420000 
1 1 1   34   24    9 f   2.1780   0.6922   1.9930   0.9407   2.3630   1.0160 -0.3696000 1.384000 
1 1 1   34   24   10 o   2.3770   0.7189   2.0160   0.9467   2.7380   1.0820 -0.7212000 1.438000 
1 1 1   34   24   11 o   2.8760   0.8598   3.0420   1.2650   2.7090   1.1650 0.3334000 1.720000 
1 1 1   34   24   12 f   1.6980   0.5920   1.8250   0.8869   1.5710   0.7845 0.2534000 1.184000 
1 1 1   34   26    0 o   3.6430   0.7784   3.4080   1.1570   3.8780   1.0420 -0.4698000 1.557000 
1 1 1   34   26    1 o   1.8180   0.6130   2.1420   0.9786   1.4940   0.7385 0.6476000 1.226000 
1 1 1   34   26    2 o   2.4730   0.7335   2.8620   1.1310   2.0840   0.9339 0.7772000 1.467000 
1 1 1   34   26    3 o   1.7600   0.5976   2.0790   0.9571   1.4400   0.7159 0.6384000 1.195000 
1 1 1   34   26    4 o   3.8390   0.7825   3.6010   1.1620   4.0780   1.0490 -0.4770000 1.565000 
1 1 1   34   26    5 o   4.0660   0.7837   4.0820   1.1600   4.0510   1.0540 0.3136000E-01 1.567000 
1 1 1   34   26    6 o   2.8030   0.7869   2.8120   1.1350   2.7940   1.0900 0.1759000E-01 1.574000 
1 1 1   34   26    7 o   2.5010   0.8004   2.6170   1.1550   2.3850   1.1090 0.2325000 1.601000 
1 1 1   34   26    8 o   3.4900   1.5660  ?   ?    3.4900   1.5660      ?      ? 
1 1 1   35    1    0 o   15.190   0.1750   14.990   0.2764   15.380   0.2148 -0.3983000 0.3501000 
1 1 1   35    1    1 f   29.690   0.2186   29.570   0.3410   29.810   0.2737 -0.2421000 0.4373000 
1 1 1   35    1    2 o   25.430   0.2223   25.630   0.3206   25.240   0.3079 0.3906000 0.4445000 
1 1 1   35    1    3 o   22.070   0.3214   23.200   0.4689   20.940   0.4396 2.263000 0.6428000 
1 1 1   35    1    4 o   26.070   0.2127   26.270   0.3283   25.870   0.2706 0.4047000 0.4254000 
1 1 1   35    1    5 o   8.2500   0.3513   8.6540   0.4169   7.8470   0.5657 0.8074000 0.7027000 
1 1 1   35    1    6 o   28.210   0.2069   28.160   0.2938   28.270   0.2915 -0.1125000 0.4139000 
1 1 1   35    1    7 o   19.830   0.2010   19.580   0.2855   20.090   0.2831 -0.5087000 0.4020000 
1 1 1   35    1    8 o   24.040   0.2062   23.960   0.2920   24.110   0.2912 -0.1468000 0.4124000 
1 1 1   35    1    9 o   8.9940   0.3347   9.2290   0.4641   8.7580   0.4823 0.4708000 0.6693000 
1 1 1   35    1   10 o   15.800   0.2330   15.770   0.3305   15.830   0.3286 -0.5560000E-01 0.4661000 
1 1 1   35    1   11 o   3.0340   0.8208   2.6640   1.1160   3.4040   1.2040 -0.7402000 1.642000 
1 1 1   35    1   12 o   3.3850   0.7854   3.2540   1.1120   3.5150   1.1090 -0.2611000 1.571000 
1 1 1   35    1   13 o   16.720   0.2420   16.610   0.3422   16.840   0.3424 -0.2292000 0.4841000 
1 1 1   35    1   14 o   7.1760   0.4705   7.0670   0.6811   7.2860   0.6492 -0.2187000 0.9409000 
1 1 1   35    1   15 o   10.250   0.3451   10.210   0.4918   10.280   0.4842 -0.7486000E-01 0.6902000 
1 1 1   35    1   16 o   7.7560   0.8677   8.9880   1.0260   6.5250   1.4000 2.463000 1.735000 
1 1 1   35    1   17 o   2.4330   0.7379   2.5540   1.0630   2.3120   1.0240 0.2419000 1.476000 
1 1 1   35    1   18 o   3.5670   0.8477   3.7870   1.1330   3.3470   1.2610 0.4400000 1.695000 
1 1 1   35    1   19 o   2.5070   0.7506   2.9470   1.1280   2.0670   0.9906 0.8801000 1.501000 
1 1 1   35    1   20 o   4.2630   0.8593   4.1340   1.1270   4.3910   1.2980 -0.2565000 1.719000 
1 1 1   35    1   21 o   2.3070   0.7531   1.9480   0.9463   2.6670   1.1720 -0.7195000 1.506000 
1 1 1   35    1   22 o   2.3120   0.7497   2.3700   1.0990   2.2540   1.0200 0.1157000 1.499000 
1 1 1   35    1   23 o   3.4340   1.4570   3.4340   1.4570  ?   ?       ?      ? 
1 1 1   35    1   24 o   2.3950   0.7625   2.4130   1.1080   2.3770   1.0480 0.3513000E-01 1.525000 
1 1 1   35    1   25 o   2.2960   0.7308   2.4120   1.0670   2.1800   0.9992 0.2323000 1.462000 
1 1 1   35    1   26 o   1.8830   0.6410   1.9530   0.9319   1.8140   0.8803 0.1398000 1.282000 
1 1 1   35    3    0 o   27.740   0.2285   27.670   0.3227   27.800   0.3235 -0.1312000 0.4570000 
1 1 1   35    3    1 o   25.670   0.2188   25.850   0.3180   25.490   0.3008 0.3651000 0.4377000 
1 1 1   35    3    2 o   18.900   0.1924   19.310   0.3007   18.490   0.2400 0.8217000 0.3847000 
1 1 1   35    3    3 o   37.090   0.3624   36.850   0.5971   37.340   0.4107 -0.4937000 0.7247000 
1 1 1   35    3    4 o   10.660   0.2806   10.490   0.4519   10.830   0.3329 -0.3374000 0.5613000 
1 1 1   35    3    5 o   4.2420   0.6704   4.4900   1.0140   3.9940   0.8768 0.4959000 1.341000 
1 1 1   35    3    6 o   26.340   0.2291   26.280   0.3591   26.390   0.2847 -0.1141000 0.4583000 
1 1 1   35    3    7 o   17.210   0.2363   17.520   0.3712   16.900   0.2925 0.6152000 0.4726000 
1 1 1   35    3    8 o   9.6810   0.3044   9.4890   0.4389   9.8730   0.4219 -0.3844000 0.6088000 
1 1 1   35    3    9 o   22.600   0.2094   22.690   0.2979   22.510   0.2944 0.1787000 0.4188000 
1 1 1   35    3   10 o   2.4280   0.7258   2.6750   1.0880   2.1800   0.9603 0.4944000 1.452000 
1 1 1   35    3   11 o   11.750   0.3407   12.030   0.4685   11.460   0.4949 0.5703000 0.6815000 
1 1 1   35    3   12 o   4.7420   0.6698   5.0870   0.8854   4.3960   1.0050 0.6906000 1.340000 
1 1 1   35    3   13 o   6.9860   0.4671   7.2260   0.6344   6.7470   0.6859 0.4792000 0.9343000 
1 1 1   35    3   14 o   3.2050   0.7995   3.1090   1.1240   3.3010   1.1380 -0.1919000 1.599000 
1 1 1   35    3   15 o   12.450   0.3746   12.120   0.5463   12.780   0.5126 -0.6610000 0.7491000 
1 1 1   35    3   16 o   4.1960   0.9487   4.8880   1.2130   3.5050   1.4590 1.383000 1.897000 
1 1 1   35    3   17 o   2.7050   0.7972   2.6070   1.0780   2.8030   1.1750 -0.1953000 1.594000 
1 1 1   35    3   18 o   2.8490   0.7738   1.8960   0.8977   3.8030   1.2610 -1.907000 1.548000 
1 1 1   35    3   19 o   2.2480   0.7053   1.9300   0.9113   2.5670   1.0770 -0.6369000 1.411000 
1 1 1   35    3   20 o   2.7780   0.7479   3.5280   1.1610   2.0280   0.9435 1.500000 1.496000 
1 1 1   35    3   21 o   2.7040   0.7537   3.3620   1.1700   2.0470   0.9499 1.315000 1.507000 
1 1 1   35    3   22 o   3.2400   0.8218   3.0870   1.1560   3.3920   1.1680 -0.3050000 1.644000 
1 1 1   35    3   23 o   4.1770   0.9010   4.0560   1.2810   4.2980   1.2670 -0.2421000 1.802000 
1 1 1   35    3   24 o   2.0100   0.6837   2.4220   1.1150   1.5970   0.7921 0.8247000 1.367000 
1 1 1   35    3   25 o   2.9130   0.8522   3.1010   1.2860   2.7240   1.1180 0.3771000 1.704000 
1 1 1   35    3   26 o   2.4670   0.7809   2.3900   1.1130   2.5440   1.0960 -0.1549000 1.562000 
1 1 1   35    5    0 o   33.340   0.2119   33.080   0.2967   33.600   0.3026 -0.5216000 0.4238000 
1 1 1   35    5    1 o   5.3360   0.3528   5.1020   0.5085   5.5690   0.4890 -0.4665000 0.7055000 
1 1 1   35    5    2 o   25.420   0.1861   25.180   0.2617   25.660   0.2648 -0.4767000 0.3723000 
1 1 1   35    5    3 o   19.660   0.2261   19.090   0.3215   20.230   0.3178 -1.140000 0.4521000 
1 1 1   35    5    4 o   28.580   0.2036   28.550   0.2890   28.600   0.2870 -0.5405000E-01 0.4073000 
1 1 1   35    5    5 o   29.450   0.2094   29.460   0.2972   29.430   0.2952 0.2966000E-01 0.4189000 
1 1 1   35    5    6 o   17.560   0.2037   17.550   0.2859   17.570   0.2902 -0.1803000E-01 0.4074000 
1 1 1   35    5    7 o   15.830   0.2193   15.650   0.3131   16.020   0.3070 -0.3611000 0.4385000 
1 1 1   35    5    8 o   8.0430   0.3670   8.4230   0.5014   7.6630   0.5360 0.7598000 0.7340000 
1 1 1   35    5    9 o   10.570   0.3143   10.280   0.4812   10.850   0.4044 -0.5662000 0.6286000 
1 1 1   35    5   10 o   19.070   0.2366   19.250   0.3580   18.890   0.3095 0.3645000 0.4732000 
1 1 1   35    5   11 o   5.3870   0.7507   6.6800   0.8530   4.0940   1.2360 2.586000 1.501000 
1 1 1   35    5   12 o   8.0130   0.4278   7.8120   0.5728   8.2140   0.6356 -0.4028000 0.8556000 
1 1 1   35    5   13 o   7.9980   0.4549   7.4710   0.6185   8.5250   0.6672 -1.054000 0.9098000 
1 1 1   35    5   14 o   12.090   0.3357   12.390   0.4180   11.780   0.5253 0.6158000 0.6713000 
1 1 1   35    5   15 o   6.8440   0.5451   6.4540   0.7320   7.2350   0.8079 -0.7810000 1.090000 
1 1 1   35    5   16 o   2.2330   0.7273   2.0580   0.9517   2.4080   1.1000 -0.3501000 1.455000 
1 1 1   35    5   17 o   9.2590   0.3518   8.9310   0.4685   9.5860   0.5251 -0.6552000 0.7037000 
1 1 1   35    5   18 o   3.5110   0.6837   4.6340   0.8942   2.3890   1.0350 2.245000 1.367000 
1 1 1   35    5   19 o   1.9230   0.6377   1.7560   0.8373   2.0890   0.9622 -0.3334000 1.275000 
1 1 1   35    5   20 o   5.6590   0.6073   6.3660   0.6916   4.9530   0.9985 1.413000 1.215000 
1 1 1   35    5   21 o   2.8800   0.7807   2.7630   1.0620   2.9960   1.1440 -0.2331000 1.561000 
1 1 1   35    5   22 o   2.1100   0.6818   1.7250   0.8421   2.4960   1.0730 -0.7705000 1.364000 
1 1 1   35    5   23 o   3.7230   0.8757   3.2780   1.1840   4.1670   1.2910 -0.8892000 1.751000 
1 1 1   35    5   24 o   2.5700   0.7482   1.9800   0.9226   3.1600   1.1780 -1.180000 1.496000 
1 1 1   35    5   25 o   2.0420   0.6596   2.4340   1.0390   1.6490   0.8125 0.7857000 1.319000 
1 1 1   35    5   26 o   2.3030   0.7464   1.8490   0.8860   2.7580   1.2010 -0.9092000 1.493000 
1 1 1   35    7    0 o   26.320   0.1769   26.100   0.2636   26.550   0.2362 -0.4491000 0.3539000 
1 1 1   35    7    1 o   12.080   0.2011   12.080   0.2770   12.070   0.2916 0.9956000E-02 0.4022000 
1 1 1   35    7    2 o   17.710   0.2366   17.740   0.3346   17.680   0.3346 0.5581000E-01 0.4732000 
1 1 1   35    7    3 o   29.220   0.2078   29.150   0.2943   29.300   0.2935 -0.1484000 0.4156000 
1 1 1   35    7    4 o   24.590   0.1971   24.460   0.2770   24.720   0.2804 -0.2623000 0.3942000 
1 1 1   35    7    5 o   36.680   0.2418   36.850   0.3429   36.500   0.3412 0.3531000 0.4837000 
1 1 1   35    7    6 f   14.550   0.2258   14.510   0.3175   14.600   0.3210 -0.8550000E-01 0.4515000 
1 1 1   35    7    7 o   6.3650   0.4489   6.4870   0.6274   6.2440   0.6421 0.2435000 0.8977000 
1 1 1   35    7    8 o   3.9050   0.7368   4.2940   1.0430   3.5160   1.0410 0.7775000 1.474000 
1 1 1   35    7    9 o   11.360   0.2860   11.360   0.4114   11.350   0.3973 0.1581000E-01 0.5720000 
1 1 1   35    7   10 o   10.100   0.4399   10.380   0.4623   9.8190   0.7486 0.5606000 0.8798000 
1 1 1   35    7   11 o   15.460   0.3714   15.570   0.4600   15.350   0.5832 0.2211000 0.7427000 
1 1 1   35    7   12 o   3.8510   0.7210   2.4030   1.0320   5.2990   1.0070 -2.896000 1.442000 
1 1 1   35    7   13 o   9.3270   0.4041   9.7070   0.5090   8.9480   0.6277 0.7593000 0.8081000 
1 1 1   35    7   14 f   6.8660   0.5282   6.6620   0.7063   7.0710   0.7857 -0.4094000 1.056000 
1 1 1   35    7   15 o   8.8320   0.4954   8.8400   0.7118   8.8240   0.6894 0.1595000E-01 0.9909000 
1 1 1   35    7   16 o   3.8770   0.7952   3.5290   1.1460   4.2240   1.1020 -0.6951000 1.590000 
1 1 1   35    7   17 o   5.1330   0.6804   6.4230   0.7422   3.8430   1.1410 2.580000 1.361000 
1 1 1   35    7   18 o   4.3640   0.7653   4.4670   1.0630   4.2610   1.1010 0.2054000 1.531000 
1 1 1   35    7   19 o   2.8190   0.7814   3.2260   1.1610   2.4120   1.0460 0.8139000 1.563000 
1 1 1   35    7   20 o   4.0560   0.7598   4.3960   0.9817   3.7160   1.1600 0.6806000 1.520000 
1 1 1   35    7   21 o   2.0060   0.6551   2.1460   0.9581   1.8660   0.8936 0.2808000 1.310000 
1 1 1   35    7   22 o   2.8620   0.7853   2.4310   1.0560   3.2940   1.1620 -0.8636000 1.571000 
1 1 1   35    7   23 o   2.8480   0.8325   2.4780   1.0790   3.2170   1.2680 -0.7389000 1.665000 
1 1 1   35    7   24 o   3.2000   0.8103   2.8970   1.1150   3.5020   1.1770 -0.6044000 1.621000 
1 1 1   35    7   25 o   2.5070   0.7472   2.8260   1.1150   2.1880   0.9951 0.6376000 1.494000 
1 1 1   35    9    0 o   14.950   0.2310   14.980   0.3521   14.920   0.2991 0.6326000E-01 0.4620000 
1 1 1   35    9    1 o   20.040   0.1793   19.560   0.2647   20.520   0.2419 -0.9663000 0.3586000 
1 1 1   35    9    2 o   18.700   0.1929   18.590   0.2732   18.810   0.2724 -0.2209000 0.3858000 
1 1 1   35    9    3 o   15.960   0.2077   15.600   0.2925   16.320   0.2951 -0.7159000 0.4155000 
1 1 1   35    9    4 f   9.9280   0.2825   9.6760   0.4009   10.180   0.3982 -0.5042000 0.5651000 
1 1 1   35    9    5 o   8.1070   0.3426   7.6750   0.4997   8.5380   0.4687 -0.8632000 0.6851000 
1 1 1   35    9    6 o   24.740   0.2273   24.450   0.3424   25.020   0.2992 -0.5692000 0.4547000 
1 1 1   35    9    7 o   8.0840   0.3964   7.3560   0.6314   8.8130   0.4793 -1.457000 0.7927000 
1 1 1   35    9    8 o   8.7760   0.3715   8.7600   0.4941   8.7920   0.5548 -0.3140000E-01 0.7430000 
1 1 1   35    9    9 o   18.640   0.2419   19.210   0.3141   18.070   0.3681 1.146000 0.4839000 
1 1 1   35    9   10 o   10.380   0.4788   9.9050   0.5935   10.850   0.7516 -0.9455000 0.9577000 
1 1 1   35    9   11 o   9.1300   0.3648   8.9430   0.5277   9.3170   0.5038 -0.3739000 0.7295000 
1 1 1   35    9   12 o   4.0970   0.7924   3.6370   1.1210   4.5580   1.1210 -0.9204000 1.585000 
1 1 1   35    9   13 o   3.1530   0.8186   3.2210   1.1320   3.0850   1.1830 0.1364000 1.637000 
1 1 1   35    9   14 o   4.1820   0.8214   2.9590   1.2370   5.4050   1.0810 -2.446000 1.643000 
1 1 1   35    9   15 o   3.7230   0.9005   4.1960   1.3120   3.2500   1.2340 0.9460000 1.801000 
1 1 1   35    9   16 o   11.830   0.3242   11.610   0.4791   12.040   0.4368 -0.4242000 0.6484000 
1 1 1   35    9   17 o   8.6690   0.4107   8.7760   0.5860   8.5620   0.5757 0.2142000 0.8215000 
1 1 1   35    9   18 o   1.8210   0.6181   2.1550   0.9870   1.4880   0.7444 0.6669000 1.236000 
1 1 1   35    9   19 o   2.4420   0.7390   2.1470   0.9800   2.7370   1.1060 -0.5891000 1.478000 
1 1 1   35    9   20 o   2.5460   0.7574   2.3990   1.0480   2.6940   1.0940 -0.2948000 1.515000 
1 1 1   35    9   21 o   2.9660   0.8289   2.8600   1.1920   3.0720   1.1520 -0.2117000 1.658000 
1 1 1   35    9   22 o   2.9820   0.8759   2.9530   1.2370   3.0110   1.2400 -0.5817000E-01 1.752000 
1 1 1   35    9   23 f   2.6240   0.7651   2.4580   1.0430   2.7900   1.1190 -0.3319000 1.530000 
1 1 1   35    9   24 o   3.2800   0.8136   3.5980   1.1530   2.9620   1.1480 0.6363000 1.627000 
1 1 1   35    9   25 o   1.8200   0.6322   1.9630   0.9433   1.6760   0.8418 0.2870000 1.264000 
1 1 1   35   11    0 o   8.6520   0.2888   9.2930   0.4058   8.0120   0.4110 1.281000 0.5776000 
1 1 1   35   11    1 o   2.2350   0.6444   2.5790   0.9773   1.8920   0.8401 0.6865000 1.289000 
1 1 1   35   11    2 o   20.060   0.2071   20.160   0.3214   19.960   0.2613 0.1999000 0.4142000 
1 1 1   35   11    3 o   11.540   0.2774   11.540   0.4048   11.540   0.3793 -0.7126000E-02 0.5547000 
1 1 1   35   11    4 o   20.690   0.2207   20.690   0.3278   20.690   0.2958 0.1444000E-02 0.4415000 
1 1 1   35   11    5 o   16.190   0.2607   17.130   0.3138   15.250   0.4164 1.874000 0.5214000 
1 1 1   35   11    6 o   19.080   0.2339   19.000   0.3076   19.160   0.3526 -0.1623000 0.4679000 
1 1 1   35   11    7 o   18.400   0.2428   17.950   0.3201   18.840   0.3653 -0.8899000 0.4857000 
1 1 1   35   11    8 o   11.150   0.4455   10.230   0.5811   12.060   0.6755 -1.833000 0.8910000 
1 1 1   35   11    9 f   14.310   0.3382   14.290   0.4675   14.330   0.4889 -0.4145000E-01 0.6764000 
1 1 1   35   11   10 o   3.5000   0.7767   3.3740   1.0990   3.6260   1.0980 -0.2523000 1.553000 
1 1 1   35   11   11 o   4.9320   0.7053   5.4450   0.8382   4.4190   1.1340 1.026000 1.411000 
1 1 1   35   11   12 o   5.1560   0.6358   5.5600   0.8276   4.7510   0.9654 0.8082000 1.272000 
1 1 1   35   11   13 o   2.1460   0.6836   1.9280   0.9086   2.3630   1.0220 -0.4356000 1.367000 
1 1 1   35   11   14 o   4.8520   0.8368   4.6630   1.2380   5.0420   1.1270 -0.3786000 1.674000 
1 1 1   35   11   15 o   3.6990   0.7834   4.2320   1.0920   3.1650   1.1230 1.067000 1.567000 
1 1 1   35   11   16 o   3.8090   0.7635   4.4680   1.0360   3.1510   1.1220 1.317000 1.527000 
1 1 1   35   11   17 o   4.7250   0.7274   5.3130   0.9577   4.1370   1.0950 1.177000 1.455000 
1 1 1   35   11   18 o   3.0190   0.8034   2.7820   1.1270   3.2570   1.1460 -0.4747000 1.607000 
1 1 1   35   11   19 o   4.4970   0.7595   3.5870   1.2020   5.4080   0.9282 -1.821000 1.519000 
1 1 1   35   11   20 o   2.9590   0.8271   3.3790   1.2590   2.5390   1.0730 0.8401000 1.654000 
1 1 1   35   11   21 f   2.3570   0.7568   2.5580   1.1160   2.1550   1.0230 0.4037000 1.514000 
1 1 1   35   11   22 o   3.1230   0.8813   3.3250   1.3470   2.9210   1.1370 0.4041000 1.763000 
1 1 1   35   11   23 o   1.9180   0.6465   1.6760   0.8338   2.1600   0.9882 -0.4840000 1.293000 
1 1 1   35   11   24 o   2.4470   0.7730   2.7800   1.1680   2.1150   1.0120 0.6651000 1.546000 
1 1 1   35   13    0 f   13.310   0.4058   13.140   0.3695   13.470   0.7226 -0.3357000 0.8116000 
1 1 1   35   13    1 f   23.380   0.2536   23.090   0.2913   23.670   0.4151 -0.5741000 0.5071000 
1 1 1   35   13    2 o   17.990   0.2030   18.450   0.2982   17.530   0.2754 0.9224000 0.4059000 
1 1 1   35   13    3 f   19.280   0.2059   19.260   0.3058   19.300   0.2758 -0.4227000E-01 0.4118000 
1 1 1   35   13    4 o   8.3540   0.3736   8.0670   0.5117   8.6410   0.5444 -0.5746000 0.7472000 
1 1 1   35   13    5 o   6.8170   0.4760   6.5130   0.6447   7.1220   0.7004 -0.6093000 0.9519000 
1 1 1   35   13    6 o   7.9610   0.4111   8.2830   0.5089   7.6400   0.6458 0.6436000 0.8222000 
1 1 1   35   13    7 o   4.3480   0.8729   3.6220   1.2390   5.0740   1.2300 -1.451000 1.746000 
1 1 1   35   13    8 o   6.1900   0.5517   6.5330   0.6828   5.8470   0.8668 0.6870000 1.103000 
1 1 1   35   13    9 o   2.5290   1.0400   2.5290   1.0400  ?   ?       ?      ? 
1 1 1   35   13   10 o   2.9660   0.7613   3.4290   1.1060   2.5040   1.0470 0.9245000 1.523000 
1 1 1   35   13   11 o   8.1550   0.4092   8.1630   0.5802   8.1470   0.5771 0.1610000E-01 0.8183000 
1 1 1   35   13   12 o   3.3620   0.8774   2.9820   1.2280   3.7430   1.2530 -0.7609000 1.755000 
1 1 1   35   13   13 o   2.6790   0.7294   1.9050   0.9046   3.4540   1.1450 -1.549000 1.459000 
1 1 1   35   13   14 o   2.4330   0.7243   2.0270   0.9408   2.8390   1.1020 -0.8115000 1.449000 
1 1 1   35   13   15 o   7.6540   0.4488   7.9880   0.6089   7.3190   0.6595 0.6690000 0.8976000 
1 1 1   35   13   16 o   3.0620   0.8009   3.2260   1.1470   2.8990   1.1180 0.3272000 1.602000 
1 1 1   35   13   17 f   3.7530   0.7789   3.0240   1.1360   4.4810   1.0660 -1.458000 1.558000 
1 1 1   35   13   18 o   2.7260   0.7626   2.1990   1.0170   3.2540   1.1360 -1.055000 1.525000 
1 1 1   35   13   19 o   3.6130   0.8183   3.0930   1.2060   4.1330   1.1060 -1.040000 1.637000 
1 1 1   35   13   20 o   2.2560   0.7257   2.5200   1.0800   1.9920   0.9699 0.5283000 1.451000 
1 1 1   35   13   21 o   2.3170   0.7611   1.9520   0.9542   2.6810   1.1860 -0.7292000 1.522000 
1 1 1   35   13   22 o   2.4560   0.7533   2.2840   1.0340   2.6270   1.0960 -0.3437000 1.507000 
1 1 1   35   13   23 o   2.2640   0.7319   2.6300   1.1310   1.8980   0.9295 0.7314000 1.464000 
1 1 1   35   15    0 o   9.2920   0.3097   9.1770   0.4745   9.4060   0.3980 -0.2284000 0.6193000 
1 1 1   35   15    1 f   14.010   0.2351   14.370   0.3445   13.650   0.3200 0.7225000 0.4702000 
1 1 1   35   15    2 o   13.690   0.4280   14.060   0.3551   13.310   0.7789 0.7435000 0.8561000 
1 1 1   35   15    3 o   11.560   0.4051   11.560   0.4051  ?   ?       ?      ? 
1 1 1   35   15    4 o   10.640   0.5488   10.640   0.5488  ?   ?       ?      ? 
1 1 1   35   15    5 o   10.740   0.5715   12.060   0.5035   9.4210   1.0260 2.639000 1.143000 
1 1 1   35   15    6 o   10.510   0.3228   10.300   0.4544   10.720   0.4585 -0.4280000 0.6455000 
1 1 1   35   15    7 o   6.0290   0.5357   5.5360   0.8032   6.5220   0.7090 -0.9863000 1.071000 
1 1 1   35   15    8 o   10.860   0.3213   10.820   0.4458   10.900   0.4628 -0.8521000E-01 0.6426000 
1 1 1   35   15    9 o   2.9020   0.7771   3.0350   1.1060   2.7690   1.0920 0.2660000 1.554000 
1 1 1   35   15   10 o   5.4530   0.6061   5.8110   0.8104   5.0950   0.9014 0.7158000 1.212000 
1 1 1   35   15   11 o   6.1930   0.7261   5.0630   1.2200   7.3230   0.7882 -2.261000 1.452000 
1 1 1   35   15   12 o   9.4730   0.3784   9.4560   0.5437   9.4900   0.5264 -0.3393000E-01 0.7568000 
1 1 1   35   15   13 o   3.8520   0.7647   3.0950   1.1420   4.6100   1.0180 -1.516000 1.529000 
1 1 1   35   15   14 o   2.1460   0.6894   2.2420   1.0030   2.0500   0.9465 0.1919000 1.379000 
1 1 1   35   15   15 o   3.2500   0.7902   3.8520   1.1430   2.6480   1.0920 1.203000 1.580000 
1 1 1   35   15   16 o   3.1130   0.8126   3.3340   1.1630   2.8920   1.1350 0.4417000 1.625000 
1 1 1   35   15   17 o   2.8540   0.8097   2.8370   1.1680   2.8700   1.1220 -0.3230000E-01 1.619000 
1 1 1   35   15   18 o   2.7690   0.7900   2.6880   1.1090   2.8510   1.1250 -0.1635000 1.580000 
1 1 1   35   15   19 o   2.7780   0.8252   2.8180   1.1400   2.7390   1.1930 0.7928000E-01 1.650000 
1 1 1   35   15   20 o   3.0480   0.8594   3.5840   1.3310   2.5130   1.0880 1.070000 1.719000 
1 1 1   35   15   21 o   1.9590   0.6565   2.1000   0.9792   1.8180   0.8748 0.2817000 1.313000 
1 1 1   35   15   22 o   2.5120   1.1510   2.5120   1.1510  ?   ?       ?      ? 
1 1 1   35   17    0 o   3.7350   0.7588   4.4460   0.9417   3.0240   1.1900 1.422000 1.518000 
1 1 1   35   17    1 o   10.100   0.4752   9.4920   0.6136   10.710   0.7258 -1.222000 0.9504000 
1 1 1   35   17    2 o   2.8990   0.8631   2.6810   1.1360   3.1180   1.3000 -0.4362000 1.726000 
1 1 1   35   17    3 o   7.9800   0.4292   8.2510   0.5423   7.7090   0.6655 0.5425000 0.8585000 
1 1 1   35   17    4 o   12.020   0.2778   12.190   0.4066   11.840   0.3787 0.3544000 0.5556000 
1 1 1   35   17    5 o   6.4590   0.6355   6.3610   0.7084   6.5580   1.0550 -0.1976000 1.271000 
1 1 1   35   17    6 o   7.6110   0.5976   8.2490   0.5614   6.9740   1.0550 1.275000 1.195000 
1 1 1   35   17    7 o   6.3590   0.6546   5.9430   0.7950   6.7750   1.0400 -0.8321000 1.309000 
1 1 1   35   17    8 o   3.3980   0.8562   3.3910   1.1420   3.4060   1.2760 -0.1548000E-01 1.712000 
1 1 1   35   17    9 o   3.1850   0.8863   3.4130   1.2910   2.9560   1.2140 0.4566000 1.773000 
1 1 1   35   17   10 o   4.1330   0.7802   3.7240   1.1470   4.5430   1.0580 -0.8196000 1.560000 
1 1 1   35   17   11 o   3.2700   0.8036   3.0300   1.1360   3.5110   1.1370 -0.4816000 1.607000 
1 1 1   35   17   12 o   3.9690   0.7349   5.0850   0.9617   2.8520   1.1120 2.233000 1.470000 
1 1 1   35   17   13 o   2.7960   0.7807   2.4440   1.0600   3.1480   1.1470 -0.7042000 1.561000 
1 1 1   35   17   14 o   2.0440   0.6652   1.6460   0.8100   2.4420   1.0550 -0.7964000 1.330000 
1 1 1   35   17   15 o   4.6410   0.7229   3.0880   1.2050   6.1940   0.7985 -3.106000 1.446000 
1 1 1   35   17   16 o   2.0730   0.6738   2.4650   1.0670   1.6800   0.8232 0.7850000 1.348000 
1 1 1   35   17   17 o   2.0930   0.6835   2.4010   1.0600   1.7850   0.8635 0.6160000 1.367000 
1 1 1   35   17   18 o   3.0310   0.8401   3.9340   1.3350   2.1280   1.0200 1.806000 1.680000 
1 1 1   35   17   19 o   2.4760   0.7495   2.9220   1.1590   2.0310   0.9500 0.8917000 1.499000 
1 1 1   35   17   20 o   2.2460   0.7326   1.9970   0.9484   2.4950   1.1170 -0.4973000 1.465000 
1 1 1   35   19    0 o   3.1570   0.7804   3.5040   1.0830   2.8110   1.1240 0.6933000 1.561000 
1 1 1   35   19    1 o   8.8320   0.3840   8.8280   0.5094   8.8360   0.5747 -0.8488000E-02 0.7680000 
1 1 1   35   19    2 o   5.4660   0.5821   5.8480   0.7696   5.0840   0.8737 0.7631000 1.164000 
1 1 1   35   19    3 o   4.9640   0.6120   4.4770   0.9927   5.4510   0.7161 -0.9740000 1.224000 
1 1 1   35   19    4 f   6.5260   0.4698   6.8970   0.6733   6.1550   0.6553 0.7418000 0.9395000 
1 1 1   35   19    5 o   3.4890   0.7427   3.0290   1.1100   3.9490   0.9875 -0.9194000 1.485000 
1 1 1   35   19    6 o   3.1380   0.8462   3.2900   1.2540   2.9870   1.1360 0.3037000 1.692000 
1 1 1   35   19    7 o   8.6470   0.3760   8.5790   0.5701   8.7140   0.4903 -0.1347000 0.7520000 
1 1 1   35   19    8 o   7.2910   0.5075   7.5600   0.6352   7.0220   0.7918 0.5382000 1.015000 
1 1 1   35   19    9 o   11.080   0.4262   11.080   0.4801   11.090   0.7042 -0.1154000E-01 0.8523000 
1 1 1   35   19   10 o   5.4210   0.9898   6.1960   0.8172   4.6450   1.8030 1.551000 1.980000 
1 1 1   35   19   11 o   3.0380   0.9220   3.0320   1.1490   3.0440   1.4420 -0.1146000E-01 1.844000 
1 1 1   35   19   12 o   4.0940   0.9006   3.7720   1.2540   4.4170   1.2930 -0.6451000 1.801000 
1 1 1   35   19   13 o   2.9980   0.8252   3.0150   1.2040   2.9810   1.1290 0.3410000E-01 1.650000 
1 1 1   35   19   14 o   3.3850   0.7360   2.2380   1.0110   4.5320   1.0690 -2.293000 1.472000 
1 1 1   35   19   15 o   5.4340   0.6797   5.9340   0.8654   4.9330   1.0480 1.000000 1.359000 
1 1 1   35   19   16 o   3.6060   0.8920   3.2530   1.1860   3.9590   1.3320 -0.7060000 1.784000 
1 1 1   35   19   17 o   2.9520   0.8865   2.7870   1.2190   3.1160   1.2880 -0.3287000 1.773000 
1 1 1   35   19   18 o   2.2360   0.7239   2.4460   1.0730   2.0260   0.9719 0.4191000 1.448000 
1 1 1   35   21    0 o   9.8810   0.3715   9.8910   0.4792   9.8720   0.5677 0.1863000E-01 0.7429000 
1 1 1   35   21    1 o   9.5990   0.4233   9.6950   0.6525   9.5030   0.5393 0.1920000 0.8465000 
1 1 1   35   21    2 o   9.9220   0.4079   9.5830   0.6476   10.260   0.4961 -0.6785000 0.8158000 
1 1 1   35   21    3 o   3.2940   0.8362   2.9050   1.2210   3.6840   1.1430 -0.7792000 1.672000 
1 1 1   35   21    4 o   6.6300   0.4845   7.6390   0.6336   5.6210   0.7331 2.018000 0.9690000 
1 1 1   35   21    5 o   7.0970   0.4491   7.3680   0.6470   6.8250   0.6231 0.5433000 0.8982000 
1 1 1   35   21    6 o   4.2480   0.7289   3.7880   1.1220   4.7090   0.9309 -0.9216000 1.458000 
1 1 1   35   21    7 f   8.1100   0.4129   7.4190   0.6538   8.8010   0.5043 -1.383000 0.8257000 
1 1 1   35   21    8 o   8.1130   0.4193   8.4630   0.5988   7.7630   0.5871 0.6996000 0.8386000 
1 1 1   35   21    9 o   3.2740   0.8363   3.0630   1.2070   3.4850   1.1580 -0.4223000 1.673000 
1 1 1   35   21   10 o   2.5140   0.7652   2.3960   1.0710   2.6320   1.0930 -0.2361000 1.530000 
1 1 1   35   21   11 o   3.9070   0.8110   3.8830   1.1580   3.9310   1.1360 -0.4816000E-01 1.622000 
1 1 1   35   21   12 o   7.5000   0.6137   7.3410   0.7235   7.6590   0.9916 -0.3185000 1.227000 
1 1 1   35   21   13 o   2.5220   0.8167   2.5650   1.0940   2.4790   1.2130 0.8560000E-01 1.633000 
1 1 1   35   21   14 o   2.3200   0.7742   2.2900   1.0320   2.3500   1.1550 -0.6010000E-01 1.548000 
1 1 1   35   21   15 o   2.3090   0.7740   2.5900   1.1610   2.0280   1.0230 0.5620000 1.548000 
1 1 1   35   21   16 o   2.0780   0.7005   2.2230   1.0120   1.9340   0.9693 0.2896000 1.401000 
1 1 1   35   23    0 o   6.2620   0.5347   5.1760   0.9077   7.3480   0.5654 -2.172000 1.069000 
1 1 1   35   23    1 o   2.9550   0.7648   3.1780   1.1220   2.7310   1.0390 0.4474000 1.530000 
1 1 1   35   23    2 o   3.2860   0.7685   3.1690   1.1190   3.4020   1.0540 -0.2333000 1.537000 
1 1 1   35   23    3 o   2.2050   0.6975   2.1190   0.9854   2.2910   0.9875 -0.1725000 1.395000 
1 1 1   35   23    4 o   2.2250   0.7150   2.5240   1.1040   1.9270   0.9086 0.5972000 1.430000 
1 1 1   35   23    5 o   2.2340   0.7180   2.4000   1.0760   2.0690   0.9513 0.3310000 1.436000 
1 1 1   35   23    6 o   2.5800   0.7310   3.2870   1.1570   1.8730   0.8940 1.414000 1.462000 
1 1 1   35   23    7 o   4.4660   0.7274   4.0150   1.1330   4.9170   0.9121 -0.9027000 1.455000 
1 1 1   35   23    8 f   2.4090   0.7287   2.6920   1.1020   2.1260   0.9538 0.5657000 1.457000 
1 1 1   35   23    9 o   1.7980   0.6097   2.1860   0.9947   1.4090   0.7053 0.7769000 1.219000 
1 1 1   35   23   10 o   3.4750   0.8064   3.6110   1.1680   3.3400   1.1120 0.2713000 1.613000 
1 1 1   35   23   11 o   3.9360   0.8058   3.8870   1.1700   3.9840   1.1080 -0.9716000E-01 1.612000 
1 1 1   35   23   12 o   2.3580   0.7663   2.6370   1.1710   2.0790   0.9889 0.5576000 1.533000 
1 1 1   35   23   13 o   2.1420   0.7185   2.4680   1.1300   1.8160   0.8882 0.6521000 1.437000 
1 1 1   35   25    0 o   1.9700   0.6402   1.7820   0.8560   2.1590   0.9523 -0.3776000 1.280000 
1 1 1   35   25    1 o   2.3470   0.7152   2.3660   1.0330   2.3290   0.9895 0.3768000E-01 1.430000 
1 1 1   35   25    2 o   4.6390   0.6829   3.4290   1.1640   5.8490   0.7142 -2.420000 1.366000 
1 1 1   35   25    3 o   3.7450   0.7720   4.3210   1.1010   3.1690   1.0830 1.152000 1.544000 
1 1 1   35   25    4 o   3.0770   0.7856   2.8680   1.1300   3.2860   1.0910 -0.4176000 1.571000 
1 1 1   35   25    5 o   3.1120   0.7520   2.4030   1.0530   3.8220   1.0730 -1.419000 1.504000 
1 1 1   35   25    6 o   3.0300   0.7895   2.8610   1.1340   3.2000   1.0990 -0.3391000 1.579000 
1 1 1   35   25    7 o   3.4590   0.7771   2.7710   1.1340   4.1470   1.0630 -1.376000 1.554000 
1 1 1   35   25    8 o   1.9030   0.6341   1.6940   0.8316   2.1120   0.9575 -0.4178000 1.268000 
1 1 1   35   25    9 f   3.4740   0.9206   2.9810   1.2290   3.9660   1.3710 -0.9850000 1.841000 
1 1 1   35   27    0 o   1.6780   0.5787   1.7820   0.8637   1.5740   0.7705 0.2075000 1.157000 
1 1 1   35   27    1 o   2.8240   0.7469   2.3130   1.0250   3.3360   1.0870 -1.023000 1.494000 
1 1 1   35   27    2 o   2.0100   0.6564   2.0450   0.9504   1.9750   0.9055 0.6954000E-01 1.313000 
1 1 1   35   27    3 o   2.4910   0.7552   2.2690   1.0240   2.7120   1.1100 -0.4435000 1.510000 
1 1 1   36    0    0 o   18.710   0.2853   18.710   0.2853   18.710   0.2853 0.000000 0.000000 
1 1 1   36    0    1 o   16.190   0.2307   16.190   0.2307   16.190   0.2307 0.000000 0.000000 
1 1 1   36    0    2 o   10.320   0.3006   10.320   0.3006   10.320   0.3006 0.000000 0.000000 
1 1 1   36    0    3 o   3.3010   1.5600   3.3010   1.5600   3.3010   1.5600 0.000000 0.000000 
1 1 1   36    0    4 o   18.610   0.2607   18.610   0.2607   18.610   0.2607 0.000000 0.000000 
1 1 1   36    0    5 o   25.050   0.2760   25.050   0.2760   25.050   0.2760 0.000000 0.000000 
1 1 1   36    0    6 o   18.620   0.3517   18.620   0.3517   18.620   0.3517 0.000000 0.000000 
1 1 1   36    0    7 f   27.910   0.2978   27.910   0.2978   27.910   0.2978 0.000000 0.000000 
1 1 1   36    0    8 o   13.490   0.3387   13.490   0.3387   13.490   0.3387 0.000000 0.000000 
1 1 1   36    0    9 o   7.9150   0.5256   7.9150   0.5256   7.9150   0.5256 0.000000 0.000000 
1 1 1   36    0   10 o   24.640   0.3015   24.640   0.3015   24.640   0.3015 0.000000 0.000000 
1 1 1   36    0   11 o   3.9230   1.4260   3.9230   1.4260   3.9230   1.4260 0.000000 0.000000 
1 1 1   36    0   12 o   1.4460   0.9813   1.4460   0.9813   1.4460   0.9813 0.000000 0.000000 
1 1 1   36    0   13 o   13.170   0.3897   13.170   0.3897   13.170   0.3897 0.000000 0.000000 
1 1 1   36    0   14 o   20.710   0.3294   20.710   0.3294   20.710   0.3294 0.000000 0.000000 
1 1 1   36    0   15 o   6.7920   0.7262   6.7920   0.7262   6.7920   0.7262 0.000000 0.000000 
1 1 1   36    0   16 o   5.2700   1.8230   5.2700   1.8230   5.2700   1.8230 0.000000 0.000000 
1 1 1   36    0   17 o   1.6400   1.0780   1.6400   1.0780   1.6400   1.0780 0.000000 0.000000 
1 1 1   36    0   18 o   3.5080   1.3820   3.5080   1.3820   3.5080   1.3820 0.000000 0.000000 
1 1 1   36    0   19 o   2.4670   1.3390   2.4670   1.3390   2.4670   1.3390 0.000000 0.000000 
1 1 1   36    0   20 o   1.2570   0.8907   1.2570   0.8907   1.2570   0.8907 0.000000 0.000000 
1 1 1   36    0   21 o   1.4080   0.9758   1.4080   0.9758   1.4080   0.9758 0.000000 0.000000 
1 1 1   36    0   22 o   1.7070   1.1240   1.7070   1.1240   1.7070   1.1240 0.000000 0.000000 
1 1 1   36    0   23 o   4.3310   1.9530   4.3310   1.9530   4.3310   1.9530 0.000000 0.000000 
1 1 1   36    0   24 o   1.1430   0.8370   1.1430   0.8370   1.1430   0.8370 0.000000 0.000000 
1 1 1   36    0   25 o   3.1100   1.6070   3.1100   1.6070   3.1100   1.6070 0.000000 0.000000 
1 1 1   36    0   26 o   1.5810   1.1050   1.5810   1.1050   1.5810   1.1050 0.000000 0.000000 
1 1 1   36    2    0 o   2.3640   0.6120   2.3620   0.9120   2.3670   0.8164 -0.4668000E-02 1.224000 
1 1 1   36    2    1 f   30.110   0.2213   30.020   0.3439   30.190   0.2787 -0.1722000 0.4427000 
1 1 1   36    2    2 o   50.110   0.3675   50.860   0.5291   49.370   0.5102 1.490000 0.7350000 
1 1 1   36    2    3 o   8.3920   0.5277   8.2630   0.9363   8.5220   0.4872 -0.2594000 1.055000 
1 1 1   36    2    4 o   17.960   0.2115   17.570   0.3327   18.340   0.2612 -0.7688000 0.4230000 
1 1 1   36    2    5 o   8.7730   0.3329   8.8290   0.5183   8.7160   0.4179 0.1138000 0.6658000 
1 1 1   36    2    6 o   13.730   0.2528   13.780   0.3966   13.680   0.3136 0.1024000 0.5056000 
1 1 1   36    2    7 o   7.2390   0.3869   7.3710   0.5450   7.1070   0.5493 0.2641000 0.7738000 
1 1 1   36    2    8 o   4.5400   0.6385   4.2960   0.9482   4.7850   0.8554 -0.4893000 1.277000 
1 1 1   36    2    9 o   9.3630   0.3249   9.7520   0.4426   8.9740   0.4756 0.7779000 0.6497000 
1 1 1   36    2   10 o   10.340   0.3088   10.520   0.4359   10.170   0.4376 0.3461000 0.6177000 
1 1 1   36    2   11 o   4.0270   0.8383   3.9380   1.1810   4.1160   1.1900 -0.1772000 1.677000 
1 1 1   36    2   12 o   2.7780   0.7608   2.5140   1.0470   3.0420   1.1040 -0.5276000 1.522000 
1 1 1   36    2   13 f   6.0310   0.5498   6.2500   0.7447   5.8120   0.8091 0.4387000 1.100000 
1 1 1   36    2   14 o   3.5540   0.7750   4.2320   1.0830   2.8770   1.1090 1.355000 1.550000 
1 1 1   36    2   15 o   7.4430   0.5660   7.8410   0.7656   7.0440   0.8338 0.7970000 1.132000 
1 1 1   36    2   16 o   3.0230   0.8659   2.8830   1.1990   3.1630   1.2500 -0.2802000 1.732000 
1 1 1   36    2   17 f   4.1660   0.7735   4.3710   1.0670   3.9600   1.1200 0.4116000 1.547000 
1 1 1   36    2   18 o   3.3870   0.8004   3.6050   1.1280   3.1680   1.1360 0.4367000 1.601000 
1 1 1   36    2   19 o   2.7030   0.7742   2.8310   1.1140   2.5750   1.0760 0.2566000 1.548000 
1 1 1   36    2   20 o   2.7730   0.8005   2.1560   0.9807   3.3900   1.2650 -1.234000 1.601000 
1 1 1   36    2   21 o   3.5290   0.8684   3.1370   1.1690   3.9210   1.2850 -0.7848000 1.737000 
1 1 1   36    2   22 o   2.5280   0.7831   2.2590   1.0180   2.7970   1.1910 -0.5381000 1.566000 
1 1 1   36    2   23 o   2.5880   0.8253   2.8180   1.1940   2.3580   1.1400 0.4596000 1.651000 
1 1 1   36    2   24 o   2.1580   0.7002   2.2650   1.0200   2.0500   0.9591 0.2151000 1.400000 
1 1 1   36    2   25 o   2.0340   0.6779   2.0080   0.9515   2.0600   0.9658 -0.5202000E-01 1.356000 
1 1 1   36    2   26 o   2.0050   0.6719   2.2150   1.0220   1.7950   0.8727 0.4202000 1.344000 
1 1 1   36    4    0 o   34.780   0.2407   35.070   0.3104   34.500   0.3678 0.5697000 0.4813000 
1 1 1   36    4    1 o   22.760   0.1860   22.400   0.2793   23.120   0.2457 -0.7209000 0.3720000 
1 1 1   36    4    2 o   10.050   0.2208   9.6030   0.3151   10.490   0.3094 -0.8848000 0.4416000 
1 1 1   36    4    3 o   6.7430   0.4201   6.6040   0.6004   6.8810   0.5877 -0.2775000 0.8402000 
1 1 1   36    4    4 o   36.740   0.2367   36.760   0.3352   36.720   0.3344 0.3522000E-01 0.4735000 
1 1 1   36    4    5 o   7.0750   0.3562   6.8090   0.5161   7.3420   0.4912 -0.5338000 0.7125000 
1 1 1   36    4    6 o   8.8180   0.3073   8.7600   0.4313   8.8750   0.4377 -0.1152000 0.6145000 
1 1 1   36    4    7 o   13.500   0.2360   13.540   0.3357   13.460   0.3319 0.7591000E-01 0.4721000 
1 1 1   36    4    8 o   4.8440   0.5990   4.4370   0.9151   5.2510   0.7731 -0.8132000 1.198000 
1 1 1   36    4    9 o   8.5000   0.3560   8.1990   0.5203   8.8010   0.4861 -0.6025000 0.7120000 
1 1 1   36    4   10 o   4.2810   0.7270   3.8880   1.1380   4.6740   0.9048 -0.7865000 1.454000 
1 1 1   36    4   11 o   13.220   0.4577  ?   ?    13.220   0.4577      ?      ? 
1 1 1   36    4   12 o   4.3840   0.7086   3.8810   1.0530   4.8870   0.9484 -1.006000 1.417000 
1 1 1   36    4   13 o   11.240   0.2895   11.290   0.3760   11.190   0.4402 0.9989000E-01 0.5790000 
1 1 1   36    4   14 o   10.730   0.3050   10.490   0.4081   10.980   0.4533 -0.4872000 0.6099000 
1 1 1   36    4   15 o   4.1730   0.8146   4.5470   1.0200   3.7990   1.2700 0.7483000 1.629000 
1 1 1   36    4   16 o   2.5520   0.7741   2.6480   1.0830   2.4550   1.1070 0.1933000 1.548000 
1 1 1   36    4   17 o   7.9920   0.4500   7.2830   0.5625   8.7010   0.7026 -1.418000 0.9000000 
1 1 1   36    4   18 o   2.5940   0.7653   2.0210   0.9119   3.1660   1.2290 -1.144000 1.531000 
1 1 1   36    4   19 o   3.8640   0.8374   3.4530   1.0710   4.2760   1.2870 -0.8225000 1.675000 
1 1 1   36    4   20 o   4.4300   0.7811   4.7190   0.9136   4.1400   1.2670 0.5785000 1.562000 
1 1 1   36    4   21 o   2.3360   0.7219   1.9650   0.9265   2.7070   1.1070 -0.7421000 1.444000 
1 1 1   36    4   22 o   2.9650   0.8184   3.6870   1.2830   2.2440   1.0160 1.443000 1.637000 
1 1 1   36    4   23 o   2.8190   0.8300   2.6150   1.1080   3.0220   1.2360 -0.4065000 1.660000 
1 1 1   36    4   24 o   2.8470   0.7971   2.3790   1.0610   3.3140   1.1900 -0.9349000 1.594000 
1 1 1   36    4   25 o   2.1900   0.7063   2.5130   1.0910   1.8680   0.8971 0.6453000 1.413000 
1 1 1   36    4   26 o   2.1500   0.7222   1.8750   0.9106   2.4250   1.1210 -0.5503000 1.444000 
1 1 1   36    6    0 o   10.230   0.1932   10.020   0.2855   10.440   0.2605 -0.4217000 0.3865000 
1 1 1   36    6    1 o   8.2610   0.2592   8.6840   0.3366   7.8380   0.3943 0.8467000 0.5185000 
1 1 1   36    6    2 o   12.950   0.3545  ?   ?    12.950   0.3545      ?      ? 
1 1 1   36    6    3 o   37.710   0.2418   37.480   0.3406   37.950   0.3432 -0.4703000 0.4835000 
1 1 1   36    6    4 o   22.110   0.1929   21.710   0.2716   22.510   0.2739 -0.7959000 0.3858000 
1 1 1   36    6    5 o   32.900   0.2256   32.770   0.3184   33.030   0.3196 -0.2580000 0.4512000 
1 1 1   36    6    6 o   20.320   0.2183   20.500   0.2809   20.140   0.3344 0.3566000 0.4367000 
1 1 1   36    6    7 o   16.170   0.2167   15.960   0.3097   16.380   0.3033 -0.4199000 0.4335000 
1 1 1   36    6    8 o   20.980   0.2096   20.910   0.3003   21.040   0.2925 -0.1314000 0.4192000 
1 1 1   36    6    9 o   9.9160   0.3278   9.7340   0.5008   10.100   0.4230 -0.3643000 0.6556000 
1 1 1   36    6   10 o   6.8120   0.4545   7.5900   0.5874   6.0340   0.6937 1.555000 0.9090000 
1 1 1   36    6   11 o   4.0810   0.7654   5.5780   1.0440   2.5830   1.1200 2.995000 1.531000 
1 1 1   36    6   12 o   13.220   0.2690   13.080   0.3806   13.360   0.3804 -0.2870000 0.5381000 
1 1 1   36    6   13 o   14.670   0.2590   14.360   0.3661   14.980   0.3664 -0.6200000 0.5180000 
1 1 1   36    6   14 o   3.2780   0.8217   3.3970   1.1170   3.1590   1.2060 0.2378000 1.643000 
1 1 1   36    6   15 f   4.2420   0.8987   5.2360   1.1550   3.2480   1.3770 1.988000 1.797000 
1 1 1   36    6   16 o   2.9890   0.8217   3.0540   1.1290   2.9250   1.1940 0.1294000 1.643000 
1 1 1   36    6   17 o   2.6490   0.7297   3.4080   1.1340   1.8910   0.9190 1.517000 1.459000 
1 1 1   36    6   18 o   3.4110   0.7858   3.5780   1.0570   3.2440   1.1630 0.3341000 1.572000 
1 1 1   36    6   19 o   8.2360   0.4084   8.2900   0.5290   8.1830   0.6225 0.1070000 0.8169000 
1 1 1   36    6   20 o   2.3310   0.6972   1.6300   0.7932   3.0320   1.1470 -1.402000 1.394000 
1 1 1   36    6   21 o   2.4250   0.7111   2.8690   1.0760   1.9820   0.9300 0.8872000 1.422000 
1 1 1   36    6   22 o   2.4290   0.7319   1.9450   0.9246   2.9130   1.1350 -0.9680000 1.464000 
1 1 1   36    6   23 o   3.9230   0.8630   4.4980   1.1540   3.3470   1.2830 1.152000 1.726000 
1 1 1   36    6   24 o   2.9600   0.7783   2.1520   1.0020   3.7680   1.1910 -1.616000 1.557000 
1 1 1   36    6   25 o   1.8440   0.6273   1.7220   0.8363   1.9670   0.9352 -0.2450000 1.255000 
1 1 1   36    8    0 o   17.940   0.1716   17.670   0.2531   18.200   0.2317 -0.5278000 0.3431000 
1 1 1   36    8    1 o   13.680   0.2374   14.050   0.3565   13.310   0.3135 0.7379000 0.4747000 
1 1 1   36    8    2 o   13.900   0.2069   13.980   0.2859   13.830   0.2990 0.1440000 0.4137000 
1 1 1   36    8    3 o   26.760   0.2037   26.560   0.2858   26.950   0.2905 -0.3891000 0.4075000 
1 1 1   36    8    4 o   22.170   0.1980   22.410   0.2808   21.940   0.2791 0.4683000 0.3959000 
1 1 1   36    8    5 f   3.2810   0.7049   3.6520   0.9711   2.9110   1.0220 0.7410000 1.410000 
1 1 1   36    8    6 o   19.400   0.2058   19.260   0.2895   19.550   0.2927 -0.2845000 0.4117000 
1 1 1   36    8    7 o   13.800   0.2518   13.680   0.3743   13.920   0.3369 -0.2467000 0.5036000 
1 1 1   36    8    8 o   4.6380   0.6425   4.8950   0.8653   4.3810   0.9500 0.5144000 1.285000 
1 1 1   36    8    9 o   3.3410   0.7531   2.9230   1.0820   3.7600   1.0480 -0.8369000 1.506000 
1 1 1   36    8   10 o   13.060   0.3496   12.740   0.4995   13.370   0.4894 -0.6299000 0.6993000 
1 1 1   36    8   11 o   2.8120   0.7695   2.9120   1.1000   2.7120   1.0760 0.2003000 1.539000 
1 1 1   36    8   12 o   6.3240   0.5648   6.4020   0.7431   6.2460   0.8508 0.1559000 1.130000 
1 1 1   36    8   13 o   5.9520   0.6231   6.5260   0.7502   5.3780   0.9951 1.148000 1.246000 
1 1 1   36    8   14 o   3.2260   0.8205   2.8120   1.1080   3.6390   1.2100 -0.8270000 1.641000 
1 1 1   36    8   15 o   5.6370   0.8758   5.4120   1.1960   5.8630   1.2800 -0.4505000 1.752000 
1 1 1   36    8   16 o   2.7240   0.7770   2.5920   1.0790   2.8550   1.1180 -0.2630000 1.554000 
1 1 1   36    8   17 o   2.9930   0.7914   3.2550   1.1410   2.7310   1.0970 0.5243000 1.583000 
1 1 1   36    8   18 o   3.7990   0.6990   5.2490   0.9468   2.3500   1.0290 2.899000 1.398000 
1 1 1   36    8   19 o   2.7620   0.7717   3.2340   1.1600   2.2900   1.0180 0.9434000 1.543000 
1 1 1   36    8   20 f   3.2960   0.8201   3.2620   1.1610   3.3300   1.1590 -0.6778000E-01 1.640000 
1 1 1   36    8   21 o   5.1140   0.6958   5.6820   0.8833   4.5450   1.0750 1.137000 1.392000 
1 1 1   36    8   22 o   2.4160   0.7533   2.7630   1.1350   2.0700   0.9903 0.6924000 1.507000 
1 1 1   36    8   23 o   2.7410   0.7924   3.0040   1.1220   2.4790   1.1190 0.5250000 1.585000 
1 1 1   36    8   24 o   1.9610   0.6543   1.9000   0.8989   2.0230   0.9511 -0.1236000 1.309000 
1 1 1   36    8   25 o   1.8940   0.6556   1.6900   0.8375   2.0980   1.0090 -0.4079000 1.311000 
1 1 1   36   10    0 o   32.820   0.2595   32.430   0.3130   33.210   0.4140 -0.7789000 0.5190000 
1 1 1   36   10    1 o   6.6830   0.3665   6.9910   0.5063   6.3760   0.5301 0.6150000 0.7330000 
1 1 1   36   10    2 o   35.990   0.2257   36.000   0.3389   35.980   0.2980 0.1149000E-01 0.4513000 
1 1 1   36   10    3 o   33.270   0.2301   32.980   0.3233   33.560   0.3274 -0.5822000 0.4601000 
1 1 1   36   10    4 o   2.3900   0.6914   2.2160   0.9452   2.5640   1.0090 -0.3479000 1.383000 
1 1 1   36   10    5 o   13.730   0.2503   13.230   0.3739   14.230   0.3328 -0.9922000 0.5006000 
1 1 1   36   10    6 o   11.790   0.2656   11.790   0.3754   11.800   0.3757 -0.1747000E-02 0.5311000 
1 1 1   36   10    7 o   3.9480   0.6948   3.2300   1.0720   4.6650   0.8842 -1.435000 1.390000 
1 1 1   36   10    8 f   19.880   0.2540   20.030   0.3109   19.720   0.4019 0.3103000 0.5081000 
1 1 1   36   10    9 o   5.0110   0.7895   5.2060   1.0490   4.8160   1.1800 0.3899000 1.579000 
1 1 1   36   10   10 o   4.4050   0.7327   3.7500   1.0730   5.0610   0.9978 -1.312000 1.465000 
1 1 1   36   10   11 o   5.1800   0.6601   5.0870   0.8849   5.2730   0.9796 -0.1855000 1.320000 
1 1 1   36   10   12 o   7.6120   0.4598   7.8160   0.5768   7.4080   0.7162 0.4079000 0.9196000 
1 1 1   36   10   13 o   11.420   0.3348   11.140   0.4372   11.710   0.5072 -0.5689000 0.6696000 
1 1 1   36   10   14 o   3.5920   0.8739   2.9900   1.2270   4.1930   1.2450 -1.203000 1.748000 
1 1 1   36   10   15 o   2.9990   0.7892   2.5290   1.0820   3.4690   1.1490 -0.9407000 1.578000 
1 1 1   36   10   16 o   2.1120   0.6845   2.2170   1.0040   2.0070   0.9312 0.2099000 1.369000 
1 1 1   36   10   17 o   4.7530   0.7276   5.1960   0.9834   4.3090   1.0730 0.8864000 1.455000 
1 1 1   36   10   18 o   4.9370   0.7235   4.8810   1.0630   4.9930   0.9821 -0.1114000 1.447000 
1 1 1   36   10   19 o   2.9660   0.7517   2.0840   0.9709   3.8470   1.1480 -1.763000 1.503000 
1 1 1   36   10   20 o   3.0920   0.8334   2.8850   1.1960   3.3000   1.1610 -0.4146000 1.667000 
1 1 1   36   10   21 o   2.2380   0.7184   2.2290   1.0190   2.2460   1.0130 -0.1784000E-01 1.437000 
1 1 1   36   10   22 o   2.5470   0.8088   3.0440   1.2780   2.0500   0.9919 0.9939000 1.618000 
1 1 1   36   10   23 o   2.1240   0.6951   2.3710   1.0600   1.8760   0.8990 0.4951000 1.390000 
1 1 1   36   10   24 o   2.0560   0.6813   1.7110   0.8467   2.4000   1.0680 -0.6891000 1.363000 
1 1 1   36   12    0 o   8.6890   0.3456   8.5440   0.4744   8.8330   0.5028 -0.2882000 0.6913000 
1 1 1   36   12    1 o   18.970   0.3493   19.180   0.3266   18.760   0.6175 0.4148000 0.6986000 
1 1 1   36   12    2 o   3.0100   0.8851   1.9120   0.8840   4.1080   1.5340 -2.196000 1.770000 
1 1 1   36   12    3 o   25.080   0.2521   24.980   0.2975   25.180   0.4071 -0.2018000 0.5042000 
1 1 1   36   12    4 o   8.4190   0.3489   8.2450   0.5042   8.5940   0.4825 -0.3491000 0.6978000 
1 1 1   36   12    5 o   11.900   0.2733   11.640   0.3827   12.160   0.3901 -0.5202000 0.5465000 
1 1 1   36   12    6 o   7.6070   0.4070   7.9330   0.5310   7.2800   0.6170 0.6531000 0.8141000 
1 1 1   36   12    7 o   15.870   0.2840   15.810   0.3390   15.940   0.4556 -0.1291000 0.5679000 
1 1 1   36   12    8 o   17.090   0.3590   17.490   0.4300   16.680   0.5751 0.8044000 0.7181000 
1 1 1   36   12    9 o   8.4790   0.4112   8.8880   0.5252   8.0710   0.6329 0.8165000 0.8224000 
1 1 1   36   12   10 o   4.3680   0.7448   3.8120   1.0800   4.9240   1.0260 -1.113000 1.490000 
1 1 1   36   12   11 o   3.6520   0.7841   3.7120   1.0970   3.5920   1.1210 0.1196000 1.568000 
1 1 1   36   12   12 o   8.2320   0.4059   7.9900   0.5914   8.4740   0.5560 -0.4840000 0.8117000 
1 1 1   36   12   13 o   7.2450   0.5812   7.4420   0.8357   7.0480   0.8079 0.3931000 1.162000 
1 1 1   36   12   14 o   3.5230   0.7837   2.9650   1.1160   4.0810   1.1000 -1.116000 1.567000 
1 1 1   36   12   15 o   3.6430   0.7267   2.5560   1.0670   4.7310   0.9872 -2.175000 1.453000 
1 1 1   36   12   16 o   2.9900   0.7933   3.1600   1.1380   2.8210   1.1060 0.3392000 1.587000 
1 1 1   36   12   17 o   2.2670   0.7033   2.7150   1.1020   1.8180   0.8734 0.8967000 1.407000 
1 1 1   36   12   18 o   2.5710   0.7594   2.8210   1.1210   2.3200   1.0250 0.5013000 1.519000 
1 1 1   36   12   19 o   2.4760   0.7311   1.8930   0.9158   3.0580   1.1400 -1.165000 1.462000 
1 1 1   36   12   20 o   2.3380   0.7284   2.0590   0.9596   2.6170   1.0960 -0.5582000 1.457000 
1 1 1   36   12   21 o   2.5650   0.8255   2.5830   1.1790   2.5470   1.1560 0.3547000E-01 1.651000 
1 1 1   36   12   22 o   2.3900   0.7046   1.6160   0.8060   3.1640   1.1560 -1.548000 1.409000 
1 1 1   36   12   23 o   2.9840   0.8603   2.7270   1.1530   3.2420   1.2770 -0.5152000 1.721000 
1 1 1   36   14    0 o   17.490   0.2026   17.360   0.2994   17.630   0.2730 -0.2682000 0.4052000 
1 1 1   36   14    1 o   10.420   0.2690   9.8300   0.4044   11.020   0.3549 -1.186000 0.5381000 
1 1 1   36   14    2 o   17.470   0.2086   17.310   0.3096   17.630   0.2796 -0.3233000 0.4171000 
1 1 1   36   14    3 o   5.0420   0.6420   5.4060   0.7837   4.6770   1.0170 0.7294000 1.284000 
1 1 1   36   14    4 o   18.280   0.2800   17.970   0.3237   18.590   0.4568 -0.6217000 0.5599000 
1 1 1   36   14    5 o   17.380   0.2914   16.980   0.3363   17.780   0.4761 -0.7924000 0.5829000 
1 1 1   36   14    6 o   5.4910   1.0300   5.4910   1.0300  ?   ?       ?      ? 
1 1 1   36   14    7 o   3.4290   0.8019   3.2360   1.0930   3.6210   1.1740 -0.3844000 1.604000 
1 1 1   36   14    8 o   5.8810   0.5692   5.3020   0.8353   6.4590   0.7735 -1.156000 1.138000 
1 1 1   36   14    9 o   3.2210   0.7802   3.0680   1.0930   3.3740   1.1140 -0.3062000 1.560000 
1 1 1   36   14   10 o   5.0940   0.6270   5.0490   0.8999   5.1390   0.8734 -0.9023000E-01 1.254000 
1 1 1   36   14   11 o   2.9770   0.8463   3.3260   1.2650   2.6270   1.1240 0.6984000 1.693000 
1 1 1   36   14   12 o   7.1600   0.5953   7.8010   0.8152   6.5180   0.8677 1.283000 1.191000 
1 1 1   36   14   13 o   5.2820   0.6728   4.1650   1.1180   6.3990   0.7487 -2.234000 1.346000 
1 1 1   36   14   14 o   2.3290   0.7231   2.2190   0.9992   2.4390   1.0450 -0.2209000 1.446000 
1 1 1   36   14   15 o   7.0970   0.4923   7.0590   0.7063   7.1350   0.6859 -0.7599000E-01 0.9846000 
1 1 1   36   14   16 o   2.5380   0.7522   2.1990   0.9965   2.8780   1.1270 -0.6796000 1.504000 
1 1 1   36   14   17 o   3.5660   0.8429   3.4770   1.2270   3.6550   1.1560 -0.1779000 1.686000 
1 1 1   36   14   18 o   3.1950   0.7567   4.3490   1.1800   2.0400   0.9481 2.309000 1.513000 
1 1 1   36   14   19 f   1.8590   0.6285   1.6970   0.8319   2.0210   0.9424 -0.3234000 1.257000 
1 1 1   36   14   20 o   2.3810   0.7810   2.3790   1.1020   2.3830   1.1070 -0.3969000E-02 1.562000 
1 1 1   36   14   21 o   2.9740   0.8211   2.8800   1.1570   3.0670   1.1660 -0.1864000 1.642000 
1 1 1   36   14   22 o   1.9780   0.6684   2.1140   0.9839   1.8420   0.9048 0.2722000 1.337000 
1 1 1   36   16    0 f   4.2480   0.6296   5.4160   0.7532   3.0790   1.0090 2.336000 1.259000 
1 1 1   36   16    1 o   11.380   0.2724   10.930   0.4127   11.830   0.3557 -0.8990000 0.5449000 
1 1 1   36   16    2 o   18.790   0.2577   18.950   0.3196   18.640   0.4044 0.3104000 0.5155000 
1 1 1   36   16    3 o   4.0470   0.8449   4.6880   1.1550   3.4060   1.2330 1.282000 1.690000 
1 1 1   36   16    4 f   3.7620   0.7924   3.3380   1.2080   4.1870   1.0250 -0.8487000 1.585000 
1 1 1   36   16    5 o   15.500   0.2682   15.350   0.3521   15.650   0.4046 -0.3016000 0.5364000 
1 1 1   36   16    6 o   3.3130   0.9113   3.1160   1.1140   3.5090   1.4420 -0.3937000 1.823000 
1 1 1   36   16    7 o   10.080   0.4805   10.080   0.4805  ?   ?       ?      ? 
1 1 1   36   16    8 o   4.0380   1.0330   2.4490   1.0400   5.6280   1.7840 -3.179000 2.065000 
1 1 1   36   16    9 o   2.7710   0.8453   2.9040   1.0990   2.6380   1.2840 0.2654000 1.691000 
1 1 1   36   16   10 o   6.5060   0.6759   6.9490   0.9061   6.0640   1.0030 0.8851000 1.352000 
1 1 1   36   16   11 o   9.4720   0.3761   9.9530   0.5167   8.9920   0.5467 0.9611000 0.7522000 
1 1 1   36   16   12 o   4.2400   0.7432   5.2070   0.9634   3.2730   1.1320 1.934000 1.486000 
1 1 1   36   16   13 o   6.5410   0.5353   6.0210   0.8281   7.0610   0.6787 -1.040000 1.071000 
1 1 1   36   16   14 o   4.9460   0.7004   3.6600   1.1550   6.2320   0.7926 -2.572000 1.401000 
1 1 1   36   16   15 o   2.8700   0.7728   3.5180   1.1730   2.2230   1.0060 1.295000 1.546000 
1 1 1   36   16   16 o   3.0920   0.8295   3.4510   1.2410   2.7330   1.1010 0.7182000 1.659000 
1 1 1   36   16   17 o   2.8530   0.7889   3.2200   1.1630   2.4850   1.0660 0.7349000 1.578000 
1 1 1   36   16   18 o   2.3290   0.7309   2.2820   1.0240   2.3750   1.0430 -0.9276000E-01 1.462000 
1 1 1   36   16   19 o   2.7050   0.8262   3.2800   1.2950   2.1290   1.0270 1.151000 1.652000 
1 1 1   36   16   20 o   2.4160   0.7369   2.9420   1.1630   1.8900   0.9055 1.052000 1.474000 
1 1 1   36   18    0 o   9.5760   0.3622   9.7540   0.5817   9.3990   0.4319 0.3550000 0.7245000 
1 1 1   36   18    1 o   15.580   0.2328   15.670   0.3485   15.490   0.3088 0.1760000 0.4656000 
1 1 1   36   18    2 o   5.2290   0.5837   6.1780   0.7095   4.2790   0.9271 1.899000 1.167000 
1 1 1   36   18    3 o   7.1800   0.4726   6.2990   0.7080   8.0610   0.6263 -1.762000 0.9453000 
1 1 1   36   18    4 o   6.7700   0.4904   7.0740   0.6229   6.4670   0.7576 0.6070000 0.9808000 
1 1 1   36   18    5 o   3.2840   0.7978   2.8900   1.0910   3.6780   1.1640 -0.7881000 1.596000 
1 1 1   36   18    6 o   5.7340   0.5488   6.3170   0.7349   5.1510   0.8152 1.166000 1.098000 
1 1 1   36   18    7 o   5.9240   0.6651   6.2770   0.9837   5.5710   0.8954 0.7059000 1.330000 
1 1 1   36   18    8 o   2.9550   0.8094   3.7850   1.2920   2.1250   0.9753 1.661000 1.619000 
1 1 1   36   18    9 o   7.4280   0.4859   6.9980   0.7075   7.8580   0.6663 -0.8600000 0.9719000 
1 1 1   36   18   10 o   6.7240   0.6717   7.0150   0.7035   6.4330   1.1450 0.5824000 1.343000 
1 1 1   36   18   11 o   4.5080   1.0700   3.6260   1.1640   5.3890   1.7960 -1.763000 2.140000 
1 1 1   36   18   12 o   2.9920   0.9407   2.2220   1.0060   3.7620   1.5900 -1.541000 1.881000 
1 1 1   36   18   13 o   9.3870   0.6909   9.6970   0.6210   9.0770   1.2340 0.6204000 1.382000 
1 1 1   36   18   14 o   3.9100   0.8039   2.5730   1.1230   5.2460   1.1510 -2.674000 1.608000 
1 1 1   36   18   15 o   2.7310   0.7503   1.9830   0.9352   3.4790   1.1740 -1.497000 1.501000 
1 1 1   36   18   16 o   3.1110   0.8237   2.9170   1.1440   3.3050   1.1850 -0.3881000 1.647000 
1 1 1   36   18   17 o   2.2550   0.7520   2.0850   1.0040   2.4240   1.1200 -0.3389000 1.504000 
1 1 1   36   18   18 o   2.1220   0.6935   1.9040   0.9170   2.3400   1.0400 -0.4364000 1.387000 
1 1 1   36   18   19 o   1.8560   0.6423   1.6690   0.8272   2.0430   0.9828 -0.3733000 1.285000 
1 1 1   36   20    0 o   4.4600   0.6715   4.1780   1.0410   4.7430   0.8491 -0.5654000 1.343000 
1 1 1   36   20    1 f   2.9390   0.7509   2.4220   1.0220   3.4560   1.1010 -1.034000 1.502000 
1 1 1   36   20    2 o   9.1250   0.4034   8.9660   0.5419   9.2840   0.5978 -0.3174000 0.8069000 
1 1 1   36   20    3 o   6.7430   0.5191   6.2650   0.7571   7.2210   0.7105 -0.9559000 1.038000 
1 1 1   36   20    4 o   2.4730   0.7827   2.3970   1.1020   2.5480   1.1120 -0.1503000 1.565000 
1 1 1   36   20    5 o   6.0690   0.7103   4.7350   1.2520   7.4040   0.6708 -2.668000 1.421000 
1 1 1   36   20    6 o   3.2990   0.7719   3.2530   1.1250   3.3450   1.0580 -0.9134000E-01 1.544000 
1 1 1   36   20    7 o   4.0310   0.7082   3.0800   1.1310   4.9810   0.8520 -1.900000 1.416000 
1 1 1   36   20    8 o   9.8540   0.3473   9.8280   0.5120   9.8810   0.4694 -0.5361000E-01 0.6946000 
1 1 1   36   20    9 o   5.6810   0.6123   6.6760   0.7400   4.6860   0.9759 1.990000 1.225000 
1 1 1   36   20   10 o   4.4890   0.8348   4.8430   1.1560   4.1350   1.2040 0.7081000 1.670000 
1 1 1   36   20   11 o   3.7710   0.8716   4.0480   1.2420   3.4940   1.2240 0.5541000 1.743000 
1 1 1   36   20   12 o   3.2120   0.8197   3.6470   1.1790   2.7770   1.1390 0.8702000 1.639000 
1 1 1   36   20   13 f   2.4620   0.7519   2.5810   1.0870   2.3430   1.0390 0.2378000 1.504000 
1 1 1   36   20   14 o   2.0680   0.6979   1.9780   0.9345   2.1580   1.0370 -0.1800000 1.396000 
1 1 1   36   20   15 o   3.6920   1.0040   3.1810   1.2060   4.2030   1.6050 -1.021000 2.007000 
1 1 1   36   20   16 o   2.2600   0.7775   2.1090   1.0130   2.4120   1.1800 -0.3024000 1.555000 
1 1 1   36   20   17 o   2.0780   1.0130   2.0780   1.0130  ?   ?       ?      ? 
1 1 1   36   22    0 o   2.2450   0.7451   2.1620   1.0160   2.3270   1.0900 -0.1657000 1.490000 
1 1 1   36   22    1 o   2.4190   0.7350   2.5770   1.0630   2.2610   1.0160 0.3157000 1.470000 
1 1 1   36   22    2 o   4.2860   0.7605   3.5100   1.1300   5.0630   1.0180 -1.553000 1.521000 
1 1 1   36   22    3 o   5.9820   0.5625   5.2090   0.9328   6.7540   0.6289 -1.545000 1.125000 
1 1 1   36   22    4 o   7.3430   0.4457   6.5890   0.7197   8.0980   0.5260 -1.509000 0.8914000 
1 1 1   36   22    5 o   2.6950   0.7336   2.2010   0.9904   3.1900   1.0820 -0.9885000 1.467000 
1 1 1   36   22    6 o   2.1970   0.7078   2.1340   0.9961   2.2600   1.0060 -0.1257000 1.416000 
1 1 1   36   22    7 o   4.2600   0.8155   4.5780   1.1850   3.9420   1.1210 0.6354000 1.631000 
1 1 1   36   22    8 o   1.7310   0.5958   1.8420   0.8849   1.6190   0.7981 0.2225000 1.192000 
1 1 1   36   22    9 o   2.6530   0.7492   3.1940   1.1580   2.1120   0.9514 1.082000 1.498000 
1 1 1   36   22   10 o   1.9430   0.6414   2.4240   1.0570   1.4620   0.7274 0.9618000 1.283000 
1 1 1   36   22   11 o   2.3720   0.7310   2.0800   0.9653   2.6640   1.0980 -0.5839000 1.462000 
1 1 1   36   22   12 o   5.5380   0.6763   5.3700   0.9697   5.7050   0.9430 -0.3350000 1.353000 
1 1 1   36   22   13 o   3.1840   0.8766   3.9890   1.3370   2.3800   1.1340 1.609000 1.753000 
1 1 1   36   22   14 o   2.6180   0.8347   3.0620   1.2670   2.1750   1.0870 0.8869000 1.669000 
1 1 1   36   24    0 o   3.1180   0.8419   2.9370   1.1750   3.2990   1.2060 -0.3621000 1.684000 
1 1 1   36   24    1 o   4.0390   0.8132   4.8840   1.1590   3.1940   1.1410 1.690000 1.626000 
1 1 1   36   24    2 o   1.8450   0.6291   2.0680   0.9746   1.6210   0.7958 0.4477000 1.258000 
1 1 1   36   24    3 f   2.8180   0.7556   3.3240   1.1460   2.3120   0.9852 1.012000 1.511000 
1 1 1   36   24    4 o   2.3950   0.7239   2.5420   1.0710   2.2480   0.9740 0.2936000 1.448000 
1 1 1   36   24    5 o   2.9200   0.7802   3.1360   1.1480   2.7040   1.0570 0.4319000 1.560000 
1 1 1   36   24    6 f   2.3900   0.7242   2.2500   1.0120   2.5290   1.0360 -0.2787000 1.448000 
1 1 1   36   24    7 o   1.9510   0.6426   1.8060   0.8729   2.0950   0.9432 -0.2883000 1.285000 
1 1 1   36   24    8 o   2.5430   0.7437   3.0860   1.1690   1.9990   0.9199 1.087000 1.487000 
1 1 1   36   24    9 o   2.5600   0.7112   1.8500   0.8895   3.2710   1.1100 -1.421000 1.422000 
1 1 1   36   24   10 o   2.0800   0.6861   1.7680   0.8593   2.3930   1.0700 -0.6245000 1.372000 
1 1 1   36   24   11 o   2.1340   0.7594   2.0790   1.0470   2.1900   1.1000 -0.1111000 1.519000 
1 1 1   36   26    0 o   4.8960   0.7175   4.1290   1.1280   5.6640   0.8868 -1.535000 1.435000 
1 1 1   36   26    1 o   2.3670   0.7093   2.9230   1.1300   1.8110   0.8578 1.112000 1.419000 
1 1 1   36   26    2 o   2.4170   0.7082   1.9990   0.9314   2.8340   1.0670 -0.8347000 1.416000 
1 1 1   36   26    3 o   4.4520   0.7227   3.9670   1.1380   4.9370   0.8913 -0.9703000 1.445000 
1 1 1   36   26    4 o   2.7710   0.7681   2.5130   1.0770   3.0290   1.0960 -0.5163000 1.536000 
1 1 1   36   26    5 o   1.9570   0.6494   2.0700   0.9642   1.8430   0.8701 0.2271000 1.299000 
1 1 1   36   26    6 o   2.3720   0.7686   1.8650   0.9218   2.8780   1.2300 -1.013000 1.537000 
1 1 1   37    1    0 o   19.160   0.1799   19.190   0.2822   19.120   0.2231 0.6661000E-01 0.3597000 
1 1 1   37    1    1 o   12.870   0.2069   12.760   0.3307   12.980   0.2487 -0.2187000 0.4138000 
1 1 1   37    1    2 o   25.520   0.2281   25.230   0.3260   25.810   0.3191 -0.5765000 0.4562000 
1 1 1   37    1    3 o   12.290   0.3471   12.330   0.5812   12.260   0.3796 0.6593000E-01 0.6942000 
1 1 1   37    1    4 o   20.390   0.1863   20.530   0.2643   20.240   0.2626 0.2957000 0.3726000 
1 1 1   37    1    5 o   26.510   0.2000   26.360   0.2829   26.660   0.2829 -0.2975000 0.4001000 
1 1 1   37    1    6 f   15.780   0.2349   16.380   0.2951   15.180   0.3656 1.201000 0.4698000 
1 1 1   37    1    7 o   6.4950   0.4296   6.1970   0.6400   6.7930   0.5733 -0.5953000 0.8592000 
1 1 1   37    1    8 o   5.2400   0.5817   4.2010   0.9732   6.2790   0.6373 -2.078000 1.163000 
1 1 1   37    1    9 o   22.860   0.2094   22.880   0.2966   22.850   0.2958 0.2464000E-01 0.4189000 
1 1 1   37    1   10 o   12.290   0.2714   12.020   0.3908   12.560   0.3767 -0.5412000 0.5427000 
1 1 1   37    1   11 o   3.5230   0.8281   2.9190   1.1510   4.1270   1.1910 -1.208000 1.656000 
1 1 1   37    1   12 o   11.030   0.3092   11.350   0.4294   10.710   0.4449 0.6392000 0.6183000 
1 1 1   37    1   13 o   5.4090   0.6190   4.6680   0.9903   6.1500   0.7430 -1.481000 1.238000 
1 1 1   37    1   14 o   12.460   0.2975   12.460   0.4213   12.470   0.4203 -0.4702000E-02 0.5951000 
1 1 1   37    1   15 o   4.9140   0.9814   4.4480   1.5740   5.3800   1.1720 -0.9317000 1.963000 
1 1 1   37    1   16 o   6.1850   0.7202   5.1640   1.1660   7.2070   0.8453 -2.043000 1.440000 
1 1 1   37    1   17 o   4.9030   0.6925   5.4800   0.8908   4.3260   1.0600 1.154000 1.385000 
1 1 1   37    1   18 o   2.3350   0.7049   1.8010   0.8664   2.8690   1.1120 -1.068000 1.410000 
1 1 1   37    1   19 o   4.2370   0.7747   3.7810   1.1490   4.6930   1.0400 -0.9117000 1.549000 
1 1 1   37    1   20 o   3.4280   0.8012   3.9440   1.1280   2.9110   1.1370 1.032000 1.602000 
1 1 1   37    1   21 o   3.5110   0.8353   3.3930   1.1770   3.6280   1.1860 -0.2350000 1.671000 
1 1 1   37    1   22 o   3.1630   0.8109   3.6380   1.1830   2.6890   1.1090 0.9488000 1.622000 
1 1 1   37    1   23 o   2.6150   0.8135   2.5660   1.1420   2.6640   1.1590 -0.9812000E-01 1.627000 
1 1 1   37    1   24 o   3.1150   0.8285   2.8300   1.1440   3.4010   1.1990 -0.5714000 1.657000 
1 1 1   37    1   25 o   1.9240   0.6479   2.2860   1.0350   1.5620   0.7799 0.7238000 1.296000 
1 1 1   37    1   26 o   2.5580   0.8178   2.0920   1.0200   3.0250   1.2790 -0.9336000 1.636000 
1 1 1   37    3    0 o   8.3410   0.2537   8.5520   0.3942   8.1300   0.3196 0.4222000 0.5075000 
1 1 1   37    3    1 o   14.140   0.2091   14.180   0.3063   14.100   0.2848 0.8207000E-01 0.4183000 
1 1 1   37    3    2 o   32.090   0.2372   32.170   0.3695   32.020   0.2975 0.1523000 0.4744000 
1 1 1   37    3    3 o   33.820   0.3443   33.480   0.5683   34.170   0.3888 -0.6878000 0.6886000 
1 1 1   37    3    4 o   15.050   0.2344   15.030   0.3739   15.070   0.2828 -0.3903000E-01 0.4689000 
1 1 1   37    3    5 o   17.260   0.2287   17.110   0.3633   17.400   0.2780 -0.2854000 0.4574000 
1 1 1   37    3    6 o   3.6920   0.6695   2.6030   1.0750   4.7810   0.7984 -2.177000 1.339000 
1 1 1   37    3    7 o   15.610   0.2497   15.650   0.3917   15.570   0.3098 0.7893000E-01 0.4994000 
1 1 1   37    3    8 o   6.1470   0.5337   6.5860   0.8051   5.7080   0.7008 0.8784000 1.067000 
1 1 1   37    3    9 o   15.580   0.2620   15.800   0.4108   15.360   0.3253 0.4444000 0.5240000 
1 1 1   37    3   10 o   10.210   0.3350   10.530   0.5036   9.8960   0.4420 0.6372000 0.6700000 
1 1 1   37    3   11 o   3.6550   0.7806   2.7930   1.0800   4.5160   1.1270 -1.723000 1.561000 
1 1 1   37    3   12 o   6.5210   0.4833   6.4950   0.6905   6.5470   0.6765 -0.5187000E-01 0.9666000 
1 1 1   37    3   13 o   3.3220   0.7823   2.9470   1.1130   3.6970   1.1000 -0.7506000 1.565000 
1 1 1   37    3   14 o   8.5610   0.3970   7.9610   0.5993   9.1600   0.5209 -1.199000 0.7940000 
1 1 1   37    3   15 o   6.7560   0.7024   5.4560   1.1850   8.0560   0.7548 -2.600000 1.405000 
1 1 1   37    3   16 o   4.9320   0.8512   4.9970   1.2050   4.8670   1.2030 0.1294000 1.702000 
1 1 1   37    3   17 o   4.7190   0.7100   5.4630   0.8772   3.9750   1.1170 1.488000 1.420000 
1 1 1   37    3   18 o   3.8930   0.7465   2.8760   1.1200   4.9100   0.9875 -2.034000 1.493000 
1 1 1   37    3   19 o   3.6780   0.8112   3.4810   1.1520   3.8760   1.1420 -0.3949000 1.622000 
1 1 1   37    3   20 o   2.6820   0.7319   1.8580   0.8874   3.5070   1.1640 -1.649000 1.464000 
1 1 1   37    3   21 o   2.6970   0.7825   2.6680   1.1030   2.7260   1.1100 -0.5775000E-01 1.565000 
1 1 1   37    3   22 o   2.2760   0.7319   2.7750   1.1810   1.7760   0.8651 0.9986000 1.464000 
1 1 1   37    3   23 o   2.5140   0.8186   2.2830   1.0330   2.7450   1.2700 -0.4625000 1.637000 
1 1 1   37    3   24 o   2.4550   1.0750   2.4550   1.0750  ?   ?       ?      ? 
1 1 1   37    3   25 o   2.4420   0.7811   2.3310   1.0550   2.5540   1.1520 -0.2235000 1.562000 
1 1 1   37    5    0 o   9.7680   0.2437   10.300   0.2718   9.2390   0.4045 1.059000 0.4873000 
1 1 1   37    5    1 o   30.420   0.2031   30.030   0.2842   30.810   0.2902 -0.7794000 0.4062000 
1 1 1   37    5    2 o   14.770   0.1866   14.800   0.2598   14.740   0.2680 0.5356000E-01 0.3732000 
1 1 1   37    5    3 o   12.120   0.3887  ?   ?    12.120   0.3887      ?      ? 
1 1 1   37    5    4 o   18.060   0.1910   17.960   0.2689   18.170   0.2712 -0.2158000 0.3819000 
1 1 1   37    5    5 o   7.6330   0.3389   7.4660   0.4783   7.8000   0.4804 -0.3338000 0.6779000 
1 1 1   37    5    6 o   13.660   0.2266   13.300   0.3198   14.010   0.3211 -0.7103000 0.4532000 
1 1 1   37    5    7 o   8.2360   0.3482   7.9400   0.5147   8.5330   0.4690 -0.5935000 0.6964000 
1 1 1   37    5    8 o   4.4430   0.6569   5.0300   0.8464   3.8550   1.0050 1.175000 1.314000 
1 1 1   37    5    9 o   11.510   0.2937   11.950   0.4303   11.070   0.4000 0.8852000 0.5875000 
1 1 1   37    5   10 o   13.350   0.2537   13.370   0.3604   13.320   0.3573 0.4494000E-01 0.5075000 
1 1 1   37    5   11 o   9.6120   0.4174   8.9860   0.6173   10.240   0.5618 -1.253000 0.8347000 
1 1 1   37    5   12 o   6.7960   0.4667   6.7720   0.6551   6.8190   0.6650 -0.4657000E-01 0.9335000 
1 1 1   37    5   13 o   3.8340   0.7187   4.8660   0.9354   2.8020   1.0910 2.064000 1.437000 
1 1 1   37    5   14 o   2.5260   0.7566   1.9640   0.9101   3.0890   1.2090 -1.125000 1.513000 
1 1 1   37    5   15 o   4.6450   0.7942   4.6140   1.0290   4.6750   1.2100 -0.6060000E-01 1.588000 
1 1 1   37    5   16 o   6.4800   0.4888   6.6040   0.6144   6.3560   0.7605 0.2483000 0.9777000 
1 1 1   37    5   17 o   5.1430   0.6206   4.0620   0.9756   6.2240   0.7672 -2.162000 1.241000 
1 1 1   37    5   18 o   3.2950   0.7876   3.2990   1.0660   3.2910   1.1600 0.7915000E-02 1.575000 
1 1 1   37    5   19 o   3.8660   0.7849   3.8160   1.0590   3.9150   1.1590 -0.9858000E-01 1.570000 
1 1 1   37    5   20 o   4.5150   0.7939   4.4230   0.9849   4.6070   1.2460 -0.1834000 1.588000 
1 1 1   37    5   21 o   3.3630   0.7564   4.2730   1.0310   2.4530   1.1070 1.820000 1.513000 
1 1 1   37    5   22 o   3.1050   1.1640   3.1050   1.1640  ?   ?       ?      ? 
1 1 1   37    5   23 o   2.7180   0.8670   2.4250   1.0740   3.0110   1.3610 -0.5859000 1.734000 
1 1 1   37    5   24 o   1.8850   0.6362   1.7360   0.8386   2.0330   0.9569 -0.2970000 1.272000 
1 1 1   37    5   25 o   2.2780   0.7209   2.7480   1.1440   1.8070   0.8773 0.9413000 1.442000 
1 1 1   37    7    0 o   14.970   0.1705   14.850   0.2506   15.080   0.2313 -0.2229000 0.3410000 
1 1 1   37    7    1 o   25.500   0.1917   25.300   0.2678   25.700   0.2743 -0.4086000 0.3833000 
1 1 1   37    7    2 o   4.7330   0.6422   5.2690   0.8180   4.1980   0.9902 1.071000 1.284000 
1 1 1   37    7    3 o   12.060   0.2293   11.950   0.3244   12.170   0.3242 -0.2168000 0.4587000 
1 1 1   37    7    4 o   11.990   0.2352   11.800   0.3318   12.190   0.3335 -0.3926000 0.4704000 
1 1 1   37    7    5 o   7.2440   0.3641   7.5870   0.4750   6.9000   0.5518 0.6879000 0.7281000 
1 1 1   37    7    6 o   14.740   0.2227   15.000   0.3082   14.480   0.3215 0.5201000 0.4454000 
1 1 1   37    7    7 o   5.9050   0.4836   6.0400   0.6645   5.7710   0.7029 0.2683000 0.9672000 
1 1 1   37    7    8 o   7.9630   0.3939   8.0000   0.5919   7.9270   0.5199 0.7346000E-01 0.7878000 
1 1 1   37    7    9 o   3.9150   0.7257   3.8630   1.0420   3.9680   1.0100 -0.1052000 1.451000 
1 1 1   37    7   10 o   6.9000   0.5859   6.7690   0.8599   7.0310   0.7961 -0.2624000 1.172000 
1 1 1   37    7   11 o   6.0260   0.5303   6.2860   0.7244   5.7670   0.7747 0.5185000 1.061000 
1 1 1   37    7   12 o   1.9910   0.6498   2.2590   0.9992   1.7230   0.8309 0.5363000 1.300000 
1 1 1   37    7   13 o   4.6580   0.7496   4.4730   1.0380   4.8430   1.0820 -0.3695000 1.499000 
1 1 1   37    7   14 o   11.230   0.3129   10.720   0.4591   11.740   0.4253 -1.022000 0.6259000 
1 1 1   37    7   15 o   5.9360   0.7508   4.5180   1.2550   7.3540   0.8237 -2.835000 1.502000 
1 1 1   37    7   16 f   6.0860   0.5679   5.8720   0.8232   6.3010   0.7827 -0.4295000 1.136000 
1 1 1   37    7   17 o   5.7550   0.6663   4.5550   1.0390   6.9550   0.8347 -2.400000 1.333000 
1 1 1   37    7   18 o   4.5880   0.8030   4.7670   1.0180   4.4090   1.2420 0.3580000 1.606000 
1 1 1   37    7   19 o   4.3960   0.7907   3.7550   1.0660   5.0360   1.1680 -1.281000 1.581000 
1 1 1   37    7   20 o   2.2690   0.7246   1.8250   0.8639   2.7130   1.1630 -0.8886000 1.449000 
1 1 1   37    7   21 o   5.2470   0.6850   5.9030   0.8459   4.5900   1.0780 1.314000 1.370000 
1 1 1   37    7   22 o   4.0400   0.8801   4.1730   1.1640   3.9070   1.3200 0.2663000 1.760000 
1 1 1   37    7   23 o   1.9660   0.6535   1.7590   0.8474   2.1730   0.9952 -0.4140000 1.307000 
1 1 1   37    7   24 o   2.3180   0.7188   2.6210   1.0810   2.0160   0.9479 0.6052000 1.438000 
1 1 1   37    7   25 o   2.4340   0.7532   2.8320   1.1330   2.0370   0.9928 0.7948000 1.506000 
1 1 1   37    9    0 f   10.820   0.3381   10.580   0.4262   11.060   0.5249 -0.4836000 0.6761000 
1 1 1   37    9    1 o   34.330   0.2664   33.870   0.3205   34.780   0.4256 -0.9153000 0.5328000 
1 1 1   37    9    2 f   8.4530   0.3113   9.1910   0.3946   7.7150   0.4816 1.475000 0.6227000 
1 1 1   37    9    3 o   18.510   0.2004   18.550   0.2794   18.460   0.2874 0.8493000E-01 0.4008000 
1 1 1   37    9    4 o   12.620   0.2377   12.560   0.3342   12.680   0.3381 -0.1182000 0.4754000 
1 1 1   37    9    5 o   14.510   0.2245   14.150   0.3187   14.870   0.3161 -0.7159000 0.4489000 
1 1 1   37    9    6 o   17.240   0.2292   17.310   0.3408   17.170   0.3066 0.1436000 0.4584000 
1 1 1   37    9    7 o   2.5240   0.7116   2.2420   0.9658   2.8060   1.0450 -0.5642000 1.423000 
1 1 1   37    9    8 o   22.720   0.2156   22.810   0.3033   22.620   0.3065 0.1833000 0.4312000 
1 1 1   37    9    9 o   15.630   0.3087   15.490   0.4427   15.770   0.4303 -0.2820000 0.6174000 
1 1 1   37    9   10 o   2.7320   0.7845   3.1590   1.2070   2.3040   1.0030 0.8554000 1.569000 
1 1 1   37    9   11 o   6.8650   0.4731   7.5950   0.5887   6.1360   0.7407 1.459000 0.9461000 
1 1 1   37    9   12 o   3.7010   0.7448   4.6740   0.9698   2.7290   1.1310 1.945000 1.490000 
1 1 1   37    9   13 o   3.2300   0.7334   2.2710   1.0050   4.1900   1.0680 -1.919000 1.467000 
1 1 1   37    9   14 o   3.1100   0.8949   2.3470   1.0830   3.8740   1.4250 -1.526000 1.790000 
1 1 1   37    9   15 o   3.6060   0.8508   3.1730   1.1690   4.0390   1.2370 -0.8655000 1.702000 
1 1 1   37    9   16 o   4.7590   0.7801   4.6450   1.0690   4.8730   1.1370 -0.2272000 1.560000 
1 1 1   37    9   17 o   3.1240   0.8327   2.6330   1.0970   3.6150   1.2530 -0.9823000 1.665000 
1 1 1   37    9   18 o   3.0810   0.8038   2.6750   1.1070   3.4860   1.1660 -0.8110000 1.608000 
1 1 1   37    9   19 o   2.3240   0.7175   2.0260   0.9468   2.6230   1.0780 -0.5971000 1.435000 
1 1 1   37    9   20 o   3.0960   0.7907   2.3880   1.0750   3.8050   1.1590 -1.417000 1.581000 
1 1 1   37    9   21 o   2.1280   0.6946   2.2620   1.0230   1.9940   0.9395 0.2680000 1.389000 
1 1 1   37    9   22 o   2.6560   0.8081   3.3030   1.2910   2.0080   0.9720 1.295000 1.616000 
1 1 1   37    9   23 o   1.7070   0.5891   1.7380   0.8410   1.6760   0.8252 0.6244000E-01 1.178000 
1 1 1   37    9   24 o   2.5200   0.7456   2.9850   1.1390   2.0560   0.9620 0.9284000 1.491000 
1 1 1   37   11    0 o   25.790   0.1904   25.570   0.2834   26.010   0.2544 -0.4412000 0.3809000 
1 1 1   37   11    1 o   16.950   0.2047   17.040   0.2862   16.860   0.2927 0.1823000 0.4094000 
1 1 1   37   11    2 o   4.6670   0.6710   6.6120   0.6274   2.7210   1.1860 3.891000 1.342000 
1 1 1   37   11    3 o   13.300   0.4022   11.850   0.3898   14.740   0.7037 -2.894000 0.8044000 
1 1 1   37   11    4 o   18.780   0.3603   18.660   0.3307   18.890   0.6401 -0.2263000 0.7205000 
1 1 1   37   11    5 o   19.270   0.2163   19.690   0.3011   18.850   0.3107 0.8419000 0.4327000 
1 1 1   37   11    6 o   12.000   0.2744   11.880   0.3847   12.120   0.3913 -0.2392000 0.5487000 
1 1 1   37   11    7 o   2.8090   0.7450   2.4490   1.0150   3.1690   1.0910 -0.7197000 1.490000 
1 1 1   37   11    8 o   13.220   0.3460   13.410   0.4812   13.030   0.4973 0.3820000 0.6920000 
1 1 1   37   11    9 f   2.4310   0.7192   2.6820   1.0630   2.1800   0.9686 0.5013000 1.438000 
1 1 1   37   11   10 o   4.3340   0.7358   4.9780   0.8886   3.6890   1.1730 1.289000 1.472000 
1 1 1   37   11   11 o   3.0240   0.7526   2.4590   1.0240   3.5880   1.1030 -1.128000 1.505000 
1 1 1   37   11   12 o   2.7290   0.7627   3.1100   1.1100   2.3480   1.0470 0.7614000 1.525000 
1 1 1   37   11   13 o   5.0850   0.8680   3.9480   1.2910   6.2220   1.1600 -2.274000 1.736000 
1 1 1   37   11   14 o   1.8780   0.6387   1.7270   0.8388   2.0290   0.9634 -0.3019000 1.277000 
1 1 1   37   11   15 o   7.3230   0.5082   7.4880   0.6466   7.1570   0.7843 0.3304000 1.016000 
1 1 1   37   11   16 o   2.7040   0.7705   2.5460   1.0650   2.8620   1.1140 -0.3159000 1.541000 
1 1 1   37   11   17 o   3.0050   0.7698   2.3390   1.0370   3.6710   1.1380 -1.332000 1.540000 
1 1 1   37   11   18 o   3.0870   0.8140   2.8530   1.1430   3.3220   1.1600 -0.4687000 1.628000 
1 1 1   37   11   19 o   2.8810   0.8208   3.0140   1.2070   2.7480   1.1130 0.2658000 1.642000 
1 1 1   37   11   20 o   2.2750   0.7278   2.2160   1.0220   2.3340   1.0370 -0.1183000 1.456000 
1 1 1   37   11   21 o   2.5040   0.7965   1.9680   0.9680   3.0400   1.2650 -1.071000 1.593000 
1 1 1   37   11   22 o   2.2800   0.7331   2.3310   1.0610   2.2290   1.0130 0.1012000 1.466000 
1 1 1   37   11   23 o   1.8240   0.6246   1.6490   0.8212   1.9980   0.9414 -0.3496000 1.249000 
1 1 1   37   13    0 o   8.1810   0.3131   8.2650   0.4555   8.0970   0.4296 0.1679000 0.6261000 
1 1 1   37   13    1 o   9.3200   0.2905   9.1020   0.4341   9.5370   0.3862 -0.4353000 0.5811000 
1 1 1   37   13    2 o   13.040   0.2312   13.070   0.3392   13.020   0.3143 0.5102000E-01 0.4624000 
1 1 1   37   13    3 o   26.540   0.2085   26.840   0.3110   26.240   0.2777 0.5930000 0.4169000 
1 1 1   37   13    4 o   5.0400   0.5870   4.9360   0.8620   5.1450   0.7970 -0.2092000 1.174000 
1 1 1   37   13    5 o   25.280   0.3466   25.370   0.3143   25.190   0.6179 0.1883000 0.6932000 
1 1 1   37   13    6 o   4.5560   0.9278   5.1310   0.8450   3.9810   1.6520 1.150000 1.856000 
1 1 1   37   13    7 o   4.0480   1.0280   4.0950   1.2280   4.0020   1.6490 0.9293000E-01 2.056000 
1 1 1   37   13    8 o   3.6200   0.8688   3.4840   1.0870   3.7550   1.3550 -0.2708000 1.738000 
1 1 1   37   13    9 o   3.8490   0.7551   3.9430   1.0440   3.7560   1.0910 0.1873000 1.510000 
1 1 1   37   13   10 o   2.7950   0.7807   2.9420   1.0880   2.6480   1.1190 0.2945000 1.561000 
1 1 1   37   13   11 o   4.5860   0.7255   3.7240   1.1090   5.4480   0.9363 -1.724000 1.451000 
1 1 1   37   13   12 o   4.0420   0.8677   2.7850   1.1930   5.2990   1.2600 -2.514000 1.735000 
1 1 1   37   13   13 f   7.8120   0.4809   8.0930   0.6082   7.5310   0.7449 0.5616000 0.9617000 
1 1 1   37   13   14 o   6.0500   0.6000   7.1280   0.6904   4.9720   0.9814 2.156000 1.200000 
1 1 1   37   13   15 o   4.0080   0.7878   4.3900   1.0860   3.6270   1.1410 0.7637000 1.576000 
1 1 1   37   13   16 o   5.3070   0.6752   4.6040   1.0690   6.0100   0.8254 -1.406000 1.350000 
1 1 1   37   13   17 o   2.7950   0.7728   2.3100   1.0250   3.2790   1.1560 -0.9690000 1.546000 
1 1 1   37   13   18 o   2.7590   0.7957   3.0690   1.1950   2.4500   1.0520 0.6187000 1.591000 
1 1 1   37   13   19 o   2.2480   0.7119   2.0260   0.9448   2.4690   1.0650 -0.4421000 1.424000 
1 1 1   37   13   20 o   2.6980   0.8366   2.9250   1.2300   2.4710   1.1340 0.4547000 1.673000 
1 1 1   37   13   21 o   2.0810   0.6866   2.0300   0.9561   2.1320   0.9857 -0.1023000 1.373000 
1 1 1   37   13   22 o   2.6290   0.7176   1.6620   0.8209   3.5970   1.1770 -1.935000 1.435000 
1 1 1   37   15    0 o   21.320   0.2011   21.320   0.2998   21.330   0.2681 -0.9348000E-02 0.4022000 
1 1 1   37   15    1 o   9.3200   0.3099   9.2210   0.4642   9.4200   0.4106 -0.1993000 0.6198000 
1 1 1   37   15    2 o   7.3820   0.3886   6.6430   0.6221   8.1210   0.4659 -1.478000 0.7772000 
1 1 1   37   15    3 o   15.680   0.2263   15.460   0.3404   15.900   0.2984 -0.4381000 0.4527000 
1 1 1   37   15    4 o   11.110   0.3834   10.840   0.5430   11.380   0.5414 -0.5466000 0.7668000 
1 1 1   37   15    5 o   6.6810   0.6744   7.6650   0.7489   5.6970   1.1220 1.968000 1.349000 
1 1 1   37   15    6 o   10.240   0.3169   9.9750   0.4688   10.510   0.4266 -0.5314000 0.6339000 
1 1 1   37   15    7 o   2.5980   0.7520   2.4920   1.0380   2.7040   1.0880 -0.2127000 1.504000 
1 1 1   37   15    8 o   3.6130   0.9122   3.1190   1.1000   4.1060   1.4560 -0.9869000 1.824000 
1 1 1   37   15    9 o   2.0300   0.9348   2.0300   0.9348  ?   ?       ?      ? 
1 1 1   37   15   10 o   4.1840   1.2990   4.1840   1.2990  ?   ?       ?      ? 
1 1 1   37   15   11 o   4.3990   1.2740   4.3990   1.2740  ?   ?       ?      ? 
1 1 1   37   15   12 o   5.3500   0.6647   6.0130   0.8220   4.6860   1.0450 1.327000 1.329000 
1 1 1   37   15   13 o   2.0220   0.6646   1.9310   0.9181   2.1130   0.9612 -0.1811000 1.329000 
1 1 1   37   15   14 o   2.4730   0.7484   2.5400   1.0750   2.4050   1.0420 0.1344000 1.497000 
1 1 1   37   15   15 o   2.3840   0.7326   2.5850   1.0800   2.1840   0.9897 0.4005000 1.465000 
1 1 1   37   15   16 o   2.4640   0.7549   2.2380   1.0300   2.6900   1.1030 -0.4524000 1.510000 
1 1 1   37   15   17 o   2.4390   0.7577   2.5370   1.1080   2.3410   1.0340 0.1954000 1.515000 
1 1 1   37   15   18 o   2.4880   0.7399   2.0310   0.9465   2.9460   1.1380 -0.9148000 1.480000 
1 1 1   37   15   19 o   2.0190   0.6924   2.1910   1.0380   1.8460   0.9169 0.3449000 1.385000 
1 1 1   37   15   20 o   2.3990   0.7501   2.3050   1.0400   2.4920   1.0810 -0.1867000 1.500000 
1 1 1   37   15   21 o   1.8010   0.6229   1.9800   0.9431   1.6210   0.8140 0.3596000 1.246000 
1 1 1   37   17    0 o   13.490   0.2958   12.940   0.3716   14.040   0.4604 -1.094000 0.5917000 
1 1 1   37   17    1 o   7.8620   0.5005   7.3410   0.7383   8.3820   0.6760 -1.042000 1.001000 
1 1 1   37   17    2 o   9.1550   0.4119   9.4870   0.6014   8.8230   0.5629 0.6632000 0.8237000 
1 1 1   37   17    3 o   5.4450   0.5380   5.8740   0.7345   5.0170   0.7862 0.8574000 1.076000 
1 1 1   37   17    4 o   6.3260   0.4656   6.5520   0.6632   6.1000   0.6537 0.4523000 0.9312000 
1 1 1   37   17    5 o   6.9040   0.4266   7.1640   0.6117   6.6440   0.5947 0.5201000 0.8532000 
1 1 1   37   17    6 o   7.5420   0.4282   6.5700   0.6884   8.5140   0.5095 -1.945000 0.8564000 
1 1 1   37   17    7 o   6.9290   0.5298   7.3400   0.6297   6.5180   0.8522 0.8213000 1.060000 
1 1 1   37   17    8 o   4.7710   0.9357   4.6080   1.2670   4.9340   1.3770 -0.3262000 1.871000 
1 1 1   37   17    9 o   4.1760   0.9025   5.0990   1.2290   3.2540   1.3220 1.845000 1.805000 
1 1 1   37   17   10 o   4.5980   0.7263   5.2060   0.9253   3.9890   1.1200 1.217000 1.453000 
1 1 1   37   17   11 o   2.9420   0.7981   3.0290   1.1390   2.8540   1.1180 0.1756000 1.596000 
1 1 1   37   17   12 f   4.4320   1.0150   3.9510   1.1580   4.9130   1.6670 -0.9613000 2.030000 
1 1 1   37   17   13 o   2.2480   0.7788   1.7750   0.8607   2.7200   1.2980 -0.9454000 1.558000 
1 1 1   37   17   14 o   3.8740   1.0140   3.9170   1.2610   3.8320   1.5890 0.8414000E-01 2.029000 
1 1 1   37   17   15 o   2.1540   1.0060   2.1540   1.0060  ?   ?       ?      ? 
1 1 1   37   17   16 f   1.6820   0.5896   1.6860   0.8287   1.6790   0.8389 0.7467000E-02 1.179000 
1 1 1   37   17   17 o   2.3310   0.7327   2.1800   0.9992   2.4820   1.0720 -0.3026000 1.465000 
1 1 1   37   17   18 o   2.4580   0.7948   2.2040   1.0470   2.7110   1.1960 -0.5074000 1.590000 
1 1 1   37   17   19 o   1.8310   0.6267   1.8440   0.8931   1.8190   0.8793 0.2459000E-01 1.253000 
1 1 1   37   19    0 o   9.1120   0.3291   9.0290   0.4987   9.1960   0.4294 -0.1671000 0.6581000 
1 1 1   37   19    1 o   7.6960   0.4012   7.6430   0.5678   7.7480   0.5669 -0.1049000 0.8024000 
1 1 1   37   19    2 o   2.4240   0.6536   1.6480   0.8011   3.2010   1.0330 -1.553000 1.307000 
1 1 1   37   19    3 o   6.7080   0.4885   5.4750   0.8325   7.9410   0.5114 -2.466000 0.9770000 
1 1 1   37   19    4 o   3.7220   0.6987   2.7700   1.0910   4.6740   0.8731 -1.903000 1.397000 
1 1 1   37   19    5 o   2.7210   0.7710   2.9360   1.1080   2.5050   1.0720 0.4313000 1.542000 
1 1 1   37   19    6 o   1.8290   0.6384   1.7860   0.8808   1.8710   0.9243 -0.8489000E-01 1.277000 
1 1 1   37   19    7 f   4.8630   0.7105   4.6150   1.0100   5.1120   0.9993 -0.4971000 1.421000 
1 1 1   37   19    8 o   4.0570   0.7509   3.5750   1.1350   4.5390   0.9832 -0.9649000 1.502000 
1 1 1   37   19    9 o   3.6280   0.7947   3.2900   1.1540   3.9670   1.0930 -0.6770000 1.589000 
1 1 1   37   19   10 o   3.9650   0.8039   4.5550   1.0640   3.3760   1.2060 1.179000 1.608000 
1 1 1   37   19   11 o   1.9910   0.6633   2.0220   0.9446   1.9590   0.9313 0.6336000E-01 1.327000 
1 1 1   37   19   12 o   4.9890   0.7490   5.6540   1.0130   4.3240   1.1030 1.330000 1.498000 
1 1 1   37   19   13 o   2.3110   0.7142   2.7650   1.1200   1.8570   0.8870 0.9079000 1.428000 
1 1 1   37   19   14 o   3.3980   0.8159   3.9100   1.1720   2.8860   1.1350 1.024000 1.632000 
1 1 1   37   19   15 o   2.1370   0.6949   1.8680   0.8966   2.4070   1.0620 -0.5388000 1.390000 
1 1 1   37   19   16 o   2.5680   0.8233   2.6880   1.1960   2.4470   1.1310 0.2404000 1.647000 
1 1 1   37   19   17 o   1.9070   0.6779   1.7510   0.8731   2.0640   1.0370 -0.3138000 1.356000 
1 1 1   37   21    0 o   3.8750   0.7316   4.1250   1.0390   3.6240   1.0300 0.5004000 1.463000 
1 1 1   37   21    1 o   2.5930   0.7689   3.2630   1.2420   1.9220   0.9073 1.342000 1.538000 
1 1 1   37   21    2 o   3.0550   0.8285   2.8310   1.1990   3.2790   1.1430 -0.4479000 1.657000 
1 1 1   37   21    3 o   5.2420   0.7882   6.1610   1.0300   4.3240   1.1940 1.837000 1.576000 
1 1 1   37   21    4 o   2.2040   0.6996   1.9560   0.9133   2.4510   1.0600 -0.4957000 1.399000 
1 1 1   37   21    5 o   4.9330   0.7236   5.7840   0.8282   4.0820   1.1870 1.702000 1.447000 
1 1 1   37   21    6 o   3.9440   0.7874   4.3470   1.0660   3.5410   1.1590 0.8060000 1.575000 
1 1 1   37   21    7 o   3.6560   0.7714   4.1900   1.0980   3.1220   1.0840 1.068000 1.543000 
1 1 1   37   21    8 o   4.2300   0.8085   3.9470   1.2180   4.5130   1.0640 -0.5660000 1.617000 
1 1 1   37   21    9 o   4.1760   0.7289   2.7710   1.1560   5.5800   0.8885 -2.809000 1.458000 
1 1 1   37   21   10 o   2.7600   0.7237   1.8900   0.9020   3.6300   1.1320 -1.740000 1.447000 
1 1 1   37   21   11 o   3.1880   0.8127   3.5580   1.1810   2.8190   1.1170 0.7390000 1.625000 
1 1 1   37   21   12 o   2.7670   0.8040   2.8960   1.1450   2.6370   1.1290 0.2595000 1.608000 
1 1 1   37   21   13 o   2.8230   0.7908   3.3760   1.1850   2.2700   1.0470 1.106000 1.582000 
1 1 1   37   21   14 o   1.9600   0.6784   1.9820   0.9625   1.9380   0.9562 0.4434000E-01 1.357000 
1 1 1   37   21   15 o   2.9610   0.8533   2.3580   1.0920   3.5640   1.3120 -1.206000 1.707000 
1 1 1   37   23    0 o   3.3880   0.7263   4.3410   1.0480   2.4350   1.0060 1.906000 1.453000 
1 1 1   37   23    1 o   4.4470   0.6938   3.6950   1.1230   5.2000   0.8153 -1.505000 1.388000 
1 1 1   37   23    2 o   7.7510   0.5064   7.8530   0.7079   7.6490   0.7243 0.2036000 1.013000 
1 1 1   37   23    3 o   2.2740   0.7314   2.3800   1.0670   2.1690   1.0000 0.2104000 1.463000 
1 1 1   37   23    4 o   2.1830   0.7125   2.3320   1.0530   2.0350   0.9603 0.2972000 1.425000 
1 1 1   37   23    5 o   4.2810   0.8100   4.6840   1.1670   3.8780   1.1240 0.8060000 1.620000 
1 1 1   37   23    6 o   2.7360   0.7591   2.5450   1.0720   2.9270   1.0750 -0.3814000 1.518000 
1 1 1   37   23    7 o   2.6400   0.7892   3.1070   1.2490   2.1740   0.9652 0.9337000 1.578000 
1 1 1   37   23    8 o   1.9580   0.6476   2.0030   0.9375   1.9120   0.8936 0.9073000E-01 1.295000 
1 1 1   37   23    9 o   1.8350   0.6202   1.9940   0.9374   1.6760   0.8124 0.3174000 1.240000 
1 1 1   37   23   10 o   2.5510   0.7547   2.8510   1.1370   2.2510   0.9923 0.6008000 1.509000 
1 1 1   37   23   11 o   1.9710   0.6570   2.0170   0.9511   1.9250   0.9066 0.9203000E-01 1.314000 
1 1 1   37   23   12 o   2.2610   0.7555   2.3030   1.0730   2.2190   1.0630 0.8378000E-01 1.511000 
1 1 1   37   25    0 o   2.7970   0.7526   3.3330   1.1400   2.2620   0.9832 1.071000 1.505000 
1 1 1   37   25    1 o   2.0730   0.6806   1.6210   0.7988   2.5250   1.1020 -0.9031000 1.361000 
1 1 1   37   25    2 o   2.1450   0.6980   1.9620   0.9193   2.3280   1.0510 -0.3657000 1.396000 
1 1 1   37   25    3 o   2.6240   0.7629   3.0120   1.1290   2.2360   1.0260 0.7764000 1.526000 
1 1 1   37   25    4 o   7.0290   0.4882   6.9170   0.7368   7.1400   0.6407 -0.2235000 0.9764000 
1 1 1   37   25    5 o   2.4040   0.7326   2.4940   1.0720   2.3140   0.9983 0.1795000 1.465000 
1 1 1   37   25    6 o   2.7720   0.7792   3.1100   1.1730   2.4350   1.0260 0.6748000 1.558000 
1 1 1   37   25    7 o   2.6150   0.7542   3.0150   1.1450   2.2140   0.9819 0.8008000 1.508000 
1 1 1   37   25    8 o   2.7480   0.8418   2.3300   1.0910   3.1670   1.2830 -0.8373000 1.684000 
1 1 1   38    0    0 o   19.650   0.2920   19.650   0.2920   19.650   0.2920 0.000000 0.000000 
1 1 1   38    0    1 o   16.300   0.2402   16.300   0.2402   16.300   0.2402 0.000000 0.000000 
1 1 1   38    0    2 o   2.6260   1.4630   2.6260   1.4630   2.6260   1.4630 0.000000 0.000000 
1 1 1   38    0    3 o   17.410   0.4818   17.410   0.4818   17.410   0.4818 0.000000 0.000000 
1 1 1   38    0    4 o   16.040   0.3502   16.040   0.3502   16.040   0.3502 0.000000 0.000000 
1 1 1   38    0    5 o   23.300   0.2777   23.300   0.2777   23.300   0.2777 0.000000 0.000000 
1 1 1   38    0    6 o   5.2380   0.7794   5.2380   0.7794   5.2380   0.7794 0.000000 0.000000 
1 1 1   38    0    7 o   21.340   0.2858   21.340   0.2858   21.340   0.2858 0.000000 0.000000 
1 1 1   38    0    8 f   4.5740   0.9687   4.5740   0.9687   4.5740   0.9687 0.000000 0.000000 
1 1 1   38    0    9 o   6.3290   0.6501   6.3290   0.6501   6.3290   0.6501 0.000000 0.000000 
1 1 1   38    0   10 o   2.9330   1.2970   2.9330   1.2970   2.9330   1.2970 0.000000 0.000000 
1 1 1   38    0   11 o   8.5860   0.6079   8.5860   0.6079   8.5860   0.6079 0.000000 0.000000 
1 1 1   38    0   12 o   2.9600   1.3430   2.9600   1.3430   2.9600   1.3430 0.000000 0.000000 
1 1 1   38    0   13 o   2.4170   1.3130   2.4170   1.3130   2.4170   1.3130 0.000000 0.000000 
1 1 1   38    0   14 o   6.9530   0.6879   6.9530   0.6879   6.9530   0.6879 0.000000 0.000000 
1 1 1   38    0   15 o   9.0600   1.0220   9.0600   1.0220   9.0600   1.0220 0.000000 0.000000 
1 1 1   38    0   16 o   4.0120   1.2910   4.0120   1.2910   4.0120   1.2910 0.000000 0.000000 
1 1 1   38    0   17 o   7.8800   0.6138   7.8800   0.6138   7.8800   0.6138 0.000000 0.000000 
1 1 1   38    0   18 o   5.6760   0.8988   5.6760   0.8988   5.6760   0.8988 0.000000 0.000000 
1 1 1   38    0   19 o   2.9740   1.4100   2.9740   1.4100   2.9740   1.4100 0.000000 0.000000 
1 1 1   38    0   20 o   4.5560   1.2210   4.5560   1.2210   4.5560   1.2210 0.000000 0.000000 
1 1 1   38    0   21 o   1.1730   0.8433   1.1730   0.8433   1.1730   0.8433 0.000000 0.000000 
1 1 1   38    0   22 o   2.8190   1.4270   2.8190   1.4270   2.8190   1.4270 0.000000 0.000000 
1 1 1   38    0   23 o   1.5920   1.0990   1.5920   1.0990   1.5920   1.0990 0.000000 0.000000 
1 1 1   38    0   24 o   4.3300   1.4060   4.3300   1.4060   4.3300   1.4060 0.000000 0.000000 
1 1 1   38    0   25 o   1.6850   1.1260   1.6850   1.1260   1.6850   1.1260 0.000000 0.000000 
1 1 1   38    2    0 o   34.630   0.2438   34.950   0.3813   34.310   0.3038 0.6317000 0.4875000 
1 1 1   38    2    1 o   30.790   0.2476   30.540   0.3512   31.040   0.3491 -0.5011000 0.4952000 
1 1 1   38    2    2 o   8.0440   0.3428   7.8450   0.5099   8.2430   0.4583 -0.3977000 0.6856000 
1 1 1   38    2    3 o   12.100   0.4005   12.700   0.6885   11.500   0.4093 1.196000 0.8010000 
1 1 1   38    2    4 o   4.1890   0.6712   3.9120   1.0940   4.4660   0.7784 -0.5547000 1.342000 
1 1 1   38    2    5 o   26.010   0.2271   25.650   0.3535   26.380   0.2852 -0.7294000 0.4542000 
1 1 1   38    2    6 o   27.910   0.2358   27.650   0.3670   28.180   0.2963 -0.5312000 0.4717000 
1 1 1   38    2    7 o   10.080   0.2924   10.190   0.4113   9.9770   0.4157 0.2114000 0.5848000 
1 1 1   38    2    8 o   8.2330   0.3546   8.4340   0.4919   8.0310   0.5109 0.4023000 0.7092000 
1 1 1   38    2    9 o   19.210   0.2151   19.100   0.3065   19.330   0.3020 -0.2232000 0.4303000 
1 1 1   38    2   10 o   14.400   0.2657   14.730   0.4020   14.070   0.3476 0.6618000 0.5314000 
1 1 1   38    2   11 o   2.7530   0.7773   2.2340   0.9833   3.2720   1.2040 -1.038000 1.555000 
1 1 1   38    2   12 o   5.1720   0.6268   4.6080   0.9805   5.7360   0.7813 -1.128000 1.254000 
1 1 1   38    2   13 o   8.9420   0.3711   8.6040   0.5438   9.2800   0.5051 -0.6759000 0.7422000 
1 1 1   38    2   14 o   4.5030   0.7154   4.5240   1.0100   4.4820   1.0130 0.4166000E-01 1.431000 
1 1 1   38    2   15 o   2.9100   0.9315   2.6410   1.2510   3.1790   1.3800 -0.5372000 1.863000 
1 1 1   38    2   16 o   2.7280   0.7585   3.2890   1.1560   2.1670   0.9820 1.123000 1.517000 
1 1 1   38    2   17 f   2.6480   0.7048   1.7530   0.8487   3.5430   1.1260 -1.790000 1.410000 
1 1 1   38    2   18 o   3.7450   0.7636   2.9570   1.1310   4.5330   1.0270 -1.575000 1.527000 
1 1 1   38    2   19 o   5.3670   0.7065   4.3470   1.0870   6.3870   0.9022 -2.040000 1.413000 
1 1 1   38    2   20 o   2.8350   0.7838   3.0840   1.1370   2.5860   1.0790 0.4976000 1.568000 
1 1 1   38    2   21 o   3.0870   0.7889   2.5260   1.0750   3.6470   1.1550 -1.121000 1.578000 
1 1 1   38    2   22 o   2.4000   0.7548   2.8310   1.1890   1.9690   0.9298 0.8628000 1.510000 
1 1 1   38    2   23 o   2.4710   0.7682   1.9170   0.9161   3.0260   1.2330 -1.109000 1.536000 
1 1 1   38    2   24 o   2.0380   0.6795   2.1730   1.0070   1.9020   0.9124 0.2710000 1.359000 
1 1 1   38    2   25 f   2.5970   0.7814   2.6880   1.1210   2.5060   1.0890 0.1823000 1.563000 
1 1 1   38    4    0 o   36.010   0.2749   35.800   0.3934   36.210   0.3841 -0.4030000 0.5499000 
1 1 1   38    4    1 o   22.930   0.1774   23.040   0.2511   22.830   0.2507 0.2154000 0.3549000 
1 1 1   38    4    2 o   13.320   0.1922   13.440   0.2640   13.190   0.2793 0.2540000 0.3843000 
1 1 1   38    4    3 o   17.890   0.2333   17.800   0.3270   17.980   0.3328 -0.1842000 0.4666000 
1 1 1   38    4    4 o   19.270   0.1891   19.010   0.2661   19.520   0.2688 -0.5098000 0.3782000 
1 1 1   38    4    5 o   12.120   0.2349   12.170   0.3287   12.060   0.3357 0.1123000 0.4698000 
1 1 1   38    4    6 o   5.4500   0.5038   4.6830   0.7945   6.2170   0.6197 -1.534000 1.008000 
1 1 1   38    4    7 o   5.4180   0.5080   5.0370   0.7543   5.8000   0.6807 -0.7626000 1.016000 
1 1 1   38    4    8 o   3.1150   0.7155   3.7410   1.0160   2.4890   1.0080 1.253000 1.431000 
1 1 1   38    4    9 o   10.420   0.3206   10.660   0.4752   10.180   0.4304 0.4777000 0.6412000 
1 1 1   38    4   10 o   12.020   0.2948   12.150   0.4403   11.890   0.3922 0.2688000 0.5896000 
1 1 1   38    4   11 o   11.820   0.3606   12.340   0.5043   11.290   0.5156 1.046000 0.7212000 
1 1 1   38    4   12 o   7.2640   0.4372   6.9230   0.6391   7.6060   0.5968 -0.6833000 0.8745000 
1 1 1   38    4   13 o   6.6960   0.4575   7.0550   0.5631   6.3360   0.7213 0.7193000 0.9151000 
1 1 1   38    4   14 o   8.5420   0.4334   8.3630   0.5684   8.7210   0.6544 -0.3577000 0.8667000 
1 1 1   38    4   15 o   3.0870   0.8303   2.5030   1.0660   3.6710   1.2730 -1.168000 1.661000 
1 1 1   38    4   16 o   3.3690   0.7676   3.5930   1.0380   3.1450   1.1310 0.4482000 1.535000 
1 1 1   38    4   17 o   2.6440   0.7320   2.1390   0.9341   3.1500   1.1270 -1.011000 1.464000 
1 1 1   38    4   18 o   3.5780   0.8066   3.8590   1.1380   3.2970   1.1430 0.5612000 1.613000 
1 1 1   38    4   19 o   2.8590   0.7698   3.4420   1.1550   2.2750   1.0180 1.167000 1.540000 
1 1 1   38    4   20 o   2.0230   0.6662   2.2040   0.9962   1.8420   0.8849 0.3625000 1.332000 
1 1 1   38    4   21 o   2.4870   0.7570   2.4630   1.0660   2.5110   1.0750 -0.4798000E-01 1.514000 
1 1 1   38    4   22 o   3.1100   0.7961   2.3680   1.0830   3.8520   1.1670 -1.484000 1.592000 
1 1 1   38    4   23 o   2.9180   0.8452   2.6740   1.1270   3.1620   1.2600 -0.4878000 1.690000 
1 1 1   38    4   24 o   2.3170   0.7338   2.4450   1.0720   2.1900   1.0020 0.2550000 1.468000 
1 1 1   38    4   25 o   1.9210   0.6648   1.5100   0.7590   2.3320   1.0920 -0.8222000 1.330000 
1 1 1   38    6    0 o   13.270   0.2460   13.900   0.2491   12.640   0.4242 1.257000 0.4919000 
1 1 1   38    6    1 o   24.450   0.2024   25.530   0.2643   23.360   0.3067 2.161000 0.4049000 
1 1 1   38    6    2 o   37.660   0.2974   37.440   0.4194   37.890   0.4216 -0.4530000 0.5947000 
1 1 1   38    6    3 o   35.810   0.2336   35.810   0.3307   35.800   0.3300 0.1039000E-01 0.4672000 
1 1 1   38    6    4 o   22.850   0.1935   23.050   0.2729   22.640   0.2743 0.4058000 0.3870000 
1 1 1   38    6    5 o   6.8310   0.3838   6.7490   0.5375   6.9120   0.5481 -0.1630000 0.7676000 
1 1 1   38    6    6 o   13.320   0.2621   13.580   0.3211   13.060   0.4143 0.5205000 0.5241000 
1 1 1   38    6    7 o   13.080   0.2419   13.330   0.3387   12.830   0.3455 0.4975000 0.4838000 
1 1 1   38    6    8 o   11.060   0.2968   11.430   0.4329   10.680   0.4061 0.7456000 0.5936000 
1 1 1   38    6    9 o   3.6870   0.7275   4.3450   0.9931   3.0300   1.0630 1.315000 1.455000 
1 1 1   38    6   10 o   8.0960   0.5031   7.5910   0.7718   8.6020   0.6457 -1.011000 1.006000 
1 1 1   38    6   11 o   8.2010   0.4504   8.3710   0.6980   8.0300   0.5695 0.3414000 0.9008000 
1 1 1   38    6   12 o   9.8820   0.3370   9.7880   0.4722   9.9760   0.4808 -0.1873000 0.6739000 
1 1 1   38    6   13 o   4.5660   0.7629   4.7930   0.9498   4.3390   1.1940 0.4543000 1.526000 
1 1 1   38    6   14 o   6.0290   0.6092   6.0370   0.7766   6.0210   0.9388 0.1571000E-01 1.218000 
1 1 1   38    6   15 o   4.8400   0.8675   4.9520   1.2140   4.7280   1.2400 0.2236000 1.735000 
1 1 1   38    6   16 o   4.2080   0.7688   3.8730   1.1270   4.5430   1.0460 -0.6691000 1.538000 
1 1 1   38    6   17 o   2.9380   0.7493   2.2790   0.9702   3.5960   1.1420 -1.317000 1.499000 
1 1 1   38    6   18 o   3.7890   0.7754   3.7710   1.0320   3.8070   1.1580 -0.3555000E-01 1.551000 
1 1 1   38    6   19 o   4.2870   0.7291   3.4760   1.0740   5.0980   0.9860 -1.622000 1.458000 
1 1 1   38    6   20 o   1.8980   0.6309   1.9630   0.9040   1.8320   0.8802 0.1315000 1.262000 
1 1 1   38    6   21 o   2.4310   0.7318   2.8260   1.1130   2.0370   0.9509 0.7894000 1.464000 
1 1 1   38    6   22 o   3.5450   0.9696   2.6870   1.1320   4.4040   1.5750 -1.717000 1.939000 
1 1 1   38    6   23 o   4.5460   0.8320   4.6890   1.0050   4.4030   1.3260 0.2859000 1.664000 
1 1 1   38    6   24 o   2.1890   0.7118   2.2690   1.0050   2.1090   1.0080 0.1601000 1.424000 
1 1 1   38    6   25 o   2.9020   1.2930   2.9020   1.2930  ?   ?       ?      ? 
1 1 1   38    8    0 o   19.760   0.2231   20.950   0.3296   18.560   0.3007 2.391000 0.4462000 
1 1 1   38    8    1 o   15.930   0.2666   15.780   0.3416   16.080   0.4095 -0.3038000 0.5333000 
1 1 1   38    8    2 o   10.960   0.4546   10.580   0.3414   11.340   0.8428 -0.7564000 0.9093000 
1 1 1   38    8    3 o   5.5790   0.8380   5.9940   0.5740   5.1640   1.5750 0.8297000 1.676000 
1 1 1   38    8    4 o   8.3660   0.3160   8.2740   0.4457   8.4580   0.4482 -0.1834000 0.6321000 
1 1 1   38    8    5 o   15.300   0.2160   15.330   0.3007   15.270   0.3102 0.5723000E-01 0.4320000 
1 1 1   38    8    6 o   11.290   0.2780   11.370   0.4005   11.200   0.3857 0.1683000 0.5561000 
1 1 1   38    8    7 o   7.9590   0.3838   7.8300   0.5754   8.0870   0.5082 -0.2573000 0.7677000 
1 1 1   38    8    8 o   10.990   0.2918   10.440   0.4230   11.540   0.4021 -1.098000 0.5836000 
1 1 1   38    8    9 o   13.940   0.2546   13.800   0.3615   14.080   0.3586 -0.2745000 0.5092000 
1 1 1   38    8   10 o   4.7670   0.8406   4.2980   1.2550   5.2350   1.1180 -0.9368000 1.681000 
1 1 1   38    8   11 o   7.0880   0.4565   6.7490   0.6791   7.4280   0.6101 -0.6795000 0.9129000 
1 1 1   38    8   12 o   2.6070   0.7646   2.7960   1.0950   2.4170   1.0680 0.3791000 1.529000 
1 1 1   38    8   13 o   8.2690   0.4164   8.2130   0.6003   8.3250   0.5774 -0.1114000 0.8329000 
1 1 1   38    8   14 o   4.3380   0.8931   4.2930   1.3040   4.3830   1.2210 -0.8941000E-01 1.786000 
1 1 1   38    8   15 o   3.4020   0.8174   3.2600   1.1640   3.5450   1.1480 -0.2851000 1.635000 
1 1 1   38    8   16 o   5.1270   0.6847   4.1190   1.1230   6.1350   0.7840 -2.016000 1.369000 
1 1 1   38    8   17 o   3.8450   0.7921   4.1760   1.0930   3.5130   1.1470 0.6625000 1.584000 
1 1 1   38    8   18 f   3.3910   0.7544   2.3700   1.0400   4.4110   1.0930 -2.041000 1.509000 
1 1 1   38    8   19 o   2.7080   0.7865   2.0300   0.9454   3.3870   1.2570 -1.357000 1.573000 
1 1 1   38    8   20 o   2.1670   0.7100   2.1800   0.9941   2.1540   1.0140 0.2652000E-01 1.420000 
1 1 1   38    8   21 o   2.1850   0.7177   1.9620   0.9267   2.4080   1.0960 -0.4454000 1.435000 
1 1 1   38    8   22 o   2.4490   0.8148   1.8460   0.8942   3.0530   1.3620 -1.207000 1.630000 
1 1 1   38    8   23 o   2.0460   0.6846   1.9000   0.8960   2.1910   1.0350 -0.2907000 1.369000 
1 1 1   38    8   24 o   2.3350   0.7295   2.1550   0.9817   2.5150   1.0790 -0.3593000 1.459000 
1 1 1   38   10    0 o   22.030   0.1808   22.130   0.2691   21.930   0.2414 0.1967000 0.3615000 
1 1 1   38   10    1 o   12.430   0.2204   12.930   0.3107   11.930   0.3128 0.9965000 0.4409000 
1 1 1   38   10    2 o   18.090   0.1892   17.950   0.2812   18.240   0.2534 -0.2855000 0.3785000 
1 1 1   38   10    3 o   18.760   0.2424   19.200   0.2846   18.320   0.3926 0.8832000 0.4849000 
1 1 1   38   10    4 o   13.950   0.4302   13.450   0.3689   14.450   0.7774 -1.006000 0.8605000 
1 1 1   38   10    5 o   3.1450   0.9179   1.9150   0.8850   4.3750   1.6080 -2.460000 1.836000 
1 1 1   38   10    6 o   14.540   0.3971   15.390   0.3241   13.680   0.7251 1.706000 0.7942000 
1 1 1   38   10    7 o   5.7980   0.5325   6.4940   0.6485   5.1020   0.8447 1.392000 1.065000 
1 1 1   38   10    8 o   12.140   0.2734   12.290   0.3827   11.990   0.3904 0.3038000 0.5467000 
1 1 1   38   10    9 o   11.730   0.3792   10.930   0.5585   12.530   0.5132 -1.602000 0.7585000 
1 1 1   38   10   10 o   5.7060   0.5463   5.5480   0.7923   5.8630   0.7525 -0.3145000 1.093000 
1 1 1   38   10   11 o   7.6200   0.4471   7.2500   0.6106   7.9910   0.6532 -0.7412000 0.8942000 
1 1 1   38   10   12 o   4.0160   0.7441   3.4890   1.0930   4.5440   1.0100 -1.054000 1.488000 
1 1 1   38   10   13 o   8.7960   0.3911   8.5750   0.5624   9.0180   0.5438 -0.4430000 0.7823000 
1 1 1   38   10   14 o   3.1850   0.8727   3.1430   1.2360   3.2270   1.2330 -0.8467000E-01 1.745000 
1 1 1   38   10   15 o   2.1870   0.6975   2.4620   1.0630   1.9120   0.9034 0.5498000 1.395000 
1 1 1   38   10   16 o   2.4570   0.7430   2.7670   1.1210   2.1460   0.9753 0.6215000 1.486000 
1 1 1   38   10   17 o   3.0940   0.8458   3.0420   1.1660   3.1470   1.2260 -0.1050000 1.692000 
1 1 1   38   10   18 o   2.4670   0.7649   2.7010   1.1230   2.2330   1.0390 0.4683000 1.530000 
1 1 1   38   10   19 o   3.1720   0.8467   3.4560   1.2030   2.8880   1.1920 0.5683000 1.693000 
1 1 1   38   10   20 o   2.2440   0.7385   2.0550   0.9822   2.4340   1.1030 -0.3790000 1.477000 
1 1 1   38   10   21 o   2.2640   0.7539   2.6590   1.1930   1.8690   0.9225 0.7904000 1.508000 
1 1 1   38   10   22 o   2.6000   0.7844   2.9700   1.1940   2.2290   1.0170 0.7404000 1.569000 
1 1 1   38   10   23 o   2.2820   0.7308   2.4660   1.0870   2.0980   0.9774 0.3682000 1.462000 
1 1 1   38   12    0 o   6.5960   0.4014   6.4870   0.6043   6.7060   0.5284 -0.2197000 0.8028000 
1 1 1   38   12    1 o   10.670   0.2745   10.760   0.4067   10.580   0.3689 0.1823000 0.5491000 
1 1 1   38   12    2 o   2.0640   0.6212   2.6270   1.0020   1.5020   0.7348 1.125000 1.242000 
1 1 1   38   12    3 o   10.400   0.2768   10.410   0.4027   10.380   0.3799 0.2789000E-01 0.5536000 
1 1 1   38   12    4 o   9.3170   0.3189   8.6890   0.4753   9.9450   0.4252 -1.256000 0.6378000 
1 1 1   38   12    5 o   5.5820   0.5502   6.2280   0.6590   4.9350   0.8811 1.294000 1.100000 
1 1 1   38   12    6 o   6.5660   0.6108   7.3020   0.5864   5.8300   1.0720 1.472000 1.222000 
1 1 1   38   12    7 o   9.2210   0.6159   9.4160   0.6063   9.0270   1.0720 0.3893000 1.232000 
1 1 1   38   12    8 o   5.6860   0.9354   5.7390   0.9969   5.6330   1.5830 0.1062000 1.871000 
1 1 1   38   12    9 o   5.3900   0.8382   5.3900   0.8382  ?   ?       ?      ? 
1 1 1   38   12   10 o   3.8250   0.7612   4.2420   1.0240   3.4080   1.1270 0.8338000 1.522000 
1 1 1   38   12   11 o   7.7250   0.4247   7.3800   0.6172   8.0710   0.5835 -0.6912000 0.8493000 
1 1 1   38   12   12 o   9.1290   0.3783   8.4430   0.5696   9.8140   0.4981 -1.371000 0.7566000 
1 1 1   38   12   13 o   3.2240   0.8738   3.0860   1.2390   3.3630   1.2330 -0.2774000 1.748000 
1 1 1   38   12   14 o   5.4900   0.6310   5.2910   0.9253   5.6880   0.8581 -0.3970000 1.262000 
1 1 1   38   12   15 o   6.1330   0.6292   6.9930   0.6976   5.2730   1.0470 1.721000 1.258000 
1 1 1   38   12   16 o   3.4170   0.8431   3.1800   1.1560   3.6550   1.2280 -0.4751000 1.686000 
1 1 1   38   12   17 o   2.3290   0.7422   2.0850   0.9660   2.5720   1.1270 -0.4870000 1.484000 
1 1 1   38   12   18 o   2.0500   0.9559  ?   ?    2.0500   0.9559      ?      ? 
1 1 1   38   12   19 o   1.9550   0.6564   1.8410   0.8944   2.0690   0.9609 -0.2281000 1.313000 
1 1 1   38   12   20 f   2.7800   0.8001   2.4650   1.0760   3.0940   1.1840 -0.6289000 1.600000 
1 1 1   38   12   21 o   2.3790   0.7703   1.6730   0.8451   3.0860   1.2880 -1.413000 1.541000 
1 1 1   38   12   22 o   1.9350   0.6574   2.0940   0.9874   1.7770   0.8683 0.3162000 1.315000 
1 1 1   38   14    0 f   6.1610   0.4237   6.0130   0.6286   6.3080   0.5683 -0.2943000 0.8474000 
1 1 1   38   14    1 o   18.650   0.2013   18.610   0.2980   18.680   0.2708 -0.7242000E-01 0.4026000 
1 1 1   38   14    2 o   3.3790   0.6974   3.9070   0.9798   2.8500   0.9927 1.057000 1.395000 
1 1 1   38   14    3 o   14.570   0.2316   14.400   0.3478   14.740   0.3059 -0.3347000 0.4632000 
1 1 1   38   14    4 o   20.850   0.2109   20.800   0.3116   20.890   0.2842 -0.8778000E-01 0.4217000 
1 1 1   38   14    5 o   3.1030   0.8213   2.7360   1.1440   3.4710   1.1790 -0.7353000 1.643000 
1 1 1   38   14    6 o   6.7810   0.6938   6.3320   0.8765   7.2290   1.0760 -0.8976000 1.388000 
1 1 1   38   14    7 o   6.3080   0.5256   5.8230   0.7589   6.7940   0.7273 -0.9705000 1.051000 
1 1 1   38   14    8 o   8.1670   0.4007   8.6210   0.5302   7.7130   0.6011 0.9087000 0.8015000 
1 1 1   38   14    9 o   3.3830   0.7823   3.5590   1.0970   3.2060   1.1160 0.3534000 1.565000 
1 1 1   38   14   10 o   2.9420   0.9071   2.3330   1.0100   3.5510   1.5070 -1.218000 1.814000 
1 1 1   38   14   11 o   3.7650   1.0030   3.9600   1.3170   3.5710   1.5140 0.3889000 2.007000 
1 1 1   38   14   12 o   3.2520   0.8442   3.8910   1.1230   2.6130   1.2610 1.278000 1.688000 
1 1 1   38   14   13 o   4.1610   0.9382   3.6880   1.1530   4.6340   1.4810 -0.9452000 1.876000 
1 1 1   38   14   14 o   3.6280   0.8059   4.3930   1.1080   2.8620   1.1700 1.532000 1.612000 
1 1 1   38   14   15 o   3.7110   0.7890   2.5250   1.0800   4.8970   1.1500 -2.372000 1.578000 
1 1 1   38   14   16 o   3.0730   0.8070   3.4040   1.1750   2.7420   1.1060 0.6622000 1.614000 
1 1 1   38   14   17 o   2.6880   0.7816   2.3950   1.0720   2.9800   1.1380 -0.5847000 1.563000 
1 1 1   38   14   18 o   2.2580   0.7144   2.3900   1.0410   2.1260   0.9781 0.2638000 1.429000 
1 1 1   38   14   19 o   3.0480   0.8179   2.8500   1.1270   3.2460   1.1850 -0.3953000 1.636000 
1 1 1   38   14   20 o   1.9180   0.6681   1.8730   0.9226   1.9640   0.9667 -0.9063000E-01 1.336000 
1 1 1   38   14   21 o   2.2310   0.7171   2.0060   0.9507   2.4550   1.0740 -0.4487000 1.434000 
1 1 1   38   16    0 o   5.3250   0.5066   5.4060   0.7441   5.2430   0.6878 0.1630000 1.013000 
1 1 1   38   16    1 o   5.0090   0.5834   4.8080   0.8720   5.2090   0.7752 -0.4007000 1.167000 
1 1 1   38   16    2 f   11.240   0.3336   11.490   0.4066   10.980   0.5290 0.5088000 0.6671000 
1 1 1   38   16    3 o   7.9410   0.4959   7.6870   0.7154   8.1950   0.6871 -0.5084000 0.9919000 
1 1 1   38   16    4 o   7.1090   0.4117   6.9100   0.6274   7.3080   0.5332 -0.3981000 0.8234000 
1 1 1   38   16    5 o   5.0410   0.6052   4.3400   0.9907   5.7420   0.6953 -1.402000 1.210000 
1 1 1   38   16    6 o   7.4410   0.4179   7.2800   0.6203   7.6030   0.5603 -0.3229000 0.8359000 
1 1 1   38   16    7 o   12.990   0.2886   13.010   0.3962   12.970   0.4197 0.3515000E-01 0.5772000 
1 1 1   38   16    8 o   6.1610   0.5502   5.3670   0.8594   6.9540   0.6873 -1.587000 1.100000 
1 1 1   38   16    9 f   9.4630   0.4707   9.3390   0.6898   9.5870   0.6405 -0.2480000 0.9413000 
1 1 1   38   16   10 o   3.4340   1.2880   3.4340   1.2880  ?   ?       ?      ? 
1 1 1   38   16   11 o   5.5950   0.6640   6.4010   0.7568   4.7890   1.0910 1.612000 1.328000 
1 1 1   38   16   12 o   5.5680   0.6620   5.5960   0.8891   5.5410   0.9812 0.5564000E-01 1.324000 
1 1 1   38   16   13 o   4.1730   0.8234   3.6050   1.1650   4.7410   1.1640 -1.135000 1.647000 
1 1 1   38   16   14 o   3.2830   0.9081   3.5440   1.1600   3.0220   1.3980 0.5218000 1.816000 
1 1 1   38   16   15 f   2.4870   0.8139   2.5560   1.1210   2.4170   1.1800 0.1387000 1.628000 
1 1 1   38   16   16 o   2.5120   0.7985   2.6590   1.1000   2.3650   1.1570 0.2940000 1.597000 
1 1 1   38   16   17 o   3.2110   0.8586   3.8060   1.1730   2.6160   1.2540 1.190000 1.717000 
1 1 1   38   16   18 o   2.7690   0.8962   2.6030   1.1610   2.9340   1.3650 -0.3311000 1.792000 
1 1 1   38   16   19 o   1.9410   0.6697   2.1490   1.0350   1.7330   0.8504 0.4161000 1.339000 
1 1 1   38   16   20 o   2.4440   0.8178   2.4210   1.1280   2.4660   1.1840 -0.4520000E-01 1.636000 
1 1 1   38   18    0 o   2.6470   0.7488   2.5700   1.1060   2.7230   1.0090 -0.1534000 1.498000 
1 1 1   38   18    1 o   2.4350   0.7003   2.8340   1.0740   2.0350   0.8995 0.7992000 1.401000 
1 1 1   38   18    2 o   5.3750   0.5423   4.9050   0.8784   5.8460   0.6361 -0.9414000 1.085000 
1 1 1   38   18    3 o   2.3440   0.6961   2.4180   1.0130   2.2700   0.9553 0.1480000 1.392000 
1 1 1   38   18    4 o   5.6090   0.5284   5.3370   0.8241   5.8800   0.6617 -0.5434000 1.057000 
1 1 1   38   18    5 o   5.7350   0.5300   5.7790   0.7851   5.6920   0.7121 0.8708000E-01 1.060000 
1 1 1   38   18    6 o   3.3680   0.7597   3.2520   1.1040   3.4830   1.0440 -0.2314000 1.519000 
1 1 1   38   18    7 o   6.7920   0.5824   6.8940   0.8923   6.6900   0.7488 0.2035000 1.165000 
1 1 1   38   18    8 o   3.9110   0.8702   3.6400   1.3020   4.1820   1.1550 -0.5427000 1.740000 
1 1 1   38   18    9 o   6.5990   0.5775   6.0900   0.8082   7.1090   0.8250 -1.020000 1.155000 
1 1 1   38   18   10 o   2.5220   0.7657   2.2320   0.9999   2.8110   1.1600 -0.5790000 1.531000 
1 1 1   38   18   11 o   3.0330   0.8244   2.8360   1.1200   3.2300   1.2100 -0.3944000 1.649000 
1 1 1   38   18   12 o   8.0630   0.4492   7.7490   0.6591   8.3770   0.6105 -0.6284000 0.8985000 
1 1 1   38   18   13 o   7.9530   0.4905   7.8140   0.7501   8.0920   0.6321 -0.2788000 0.9809000 
1 1 1   38   18   14 o   3.0950   0.7988   3.6560   1.1790   2.5340   1.0780 1.123000 1.598000 
1 1 1   38   18   15 o   2.2400   0.7147   2.4300   1.0620   2.0500   0.9564 0.3797000 1.429000 
1 1 1   38   18   16 o   2.3750   0.7266   2.9510   1.1620   1.7990   0.8732 1.151000 1.453000 
1 1 1   38   18   17 o   2.2170   0.7423   2.4340   1.1160   1.9990   0.9788 0.4356000 1.485000 
1 1 1   38   18   18 o   2.3650   0.8024   2.0560   0.9711   2.6740   1.2780 -0.6183000 1.605000 
1 1 1   38   20    0 o   2.1360   0.6520   1.7860   0.8477   2.4860   0.9907 -0.7002000 1.304000 
1 1 1   38   20    1 o   4.6800   0.6421   4.1630   1.0380   5.1980   0.7556 -1.036000 1.284000 
1 1 1   38   20    2 o   2.6460   0.7305   2.3580   1.0200   2.9330   1.0460 -0.5751000 1.461000 
1 1 1   38   20    3 o   3.3730   0.7192   2.5950   1.0680   4.1510   0.9631 -1.557000 1.438000 
1 1 1   38   20    4 o   2.9800   0.8295   3.5790   1.2920   2.3810   1.0410 1.198000 1.659000 
1 1 1   38   20    5 o   6.0780   0.6531   6.5140   0.9639   5.6430   0.8813 0.8707000 1.306000 
1 1 1   38   20    6 o   2.9590   0.7715   3.0200   1.1210   2.8980   1.0600 0.1225000 1.543000 
1 1 1   38   20    7 o   2.4790   0.7428   2.4030   1.0390   2.5560   1.0620 -0.1530000 1.486000 
1 1 1   38   20    8 o   6.8380   0.5654   7.6440   0.6568   6.0330   0.9204 1.612000 1.131000 
1 1 1   38   20    9 o   3.8400   0.7932   4.8110   1.0400   2.8690   1.1970 1.942000 1.586000 
1 1 1   38   20   10 o   2.9850   0.8386   2.8230   1.1680   3.1460   1.2040 -0.3229000 1.677000 
1 1 1   38   20   11 f   1.8700   0.6347   2.0710   0.9658   1.6680   0.8237 0.4028000 1.269000 
1 1 1   38   20   12 o   2.7370   0.7858   2.4260   1.0580   3.0470   1.1620 -0.6209000 1.572000 
1 1 1   38   20   13 o   2.4940   0.7508   2.1530   0.9861   2.8360   1.1320 -0.6825000 1.502000 
1 1 1   38   20   14 o   1.9120   0.6446   1.6310   0.8065   2.1930   1.0060 -0.5626000 1.289000 
1 1 1   38   20   15 o   1.9330   0.6705   1.9780   0.9619   1.8870   0.9344 0.9034000E-01 1.341000 
1 1 1   38   20   16 o   2.0650   0.7266   1.8540   0.9485   2.2760   1.1010 -0.4214000 1.453000 
1 1 1   38   22    0 o   4.5970   0.7896   5.4740   1.0980   3.7190   1.1350 1.755000 1.579000 
1 1 1   38   22    1 o   2.6620   0.7176   2.0650   0.9881   3.2580   1.0410 -1.192000 1.435000 
1 1 1   38   22    2 o   2.3460   0.7064   2.1870   0.9877   2.5050   1.0100 -0.3185000 1.413000 
1 1 1   38   22    3 o   2.5400   0.7254   2.2580   1.0060   2.8220   1.0450 -0.5639000 1.451000 
1 1 1   38   22    4 o   5.5340   0.5969   5.0600   0.9643   6.0070   0.7038 -0.9479000 1.194000 
1 1 1   38   22    5 o   2.5200   0.7635   2.8690   1.1710   2.1700   0.9804 0.6994000 1.527000 
1 1 1   38   22    6 o   3.0530   0.7700   2.0770   0.9751   4.0290   1.1920 -1.952000 1.540000 
1 1 1   38   22    7 o   4.2670   0.8241   5.0630   1.1260   3.4710   1.2040 1.593000 1.648000 
1 1 1   38   22    8 o   2.2230   0.7117   2.0000   0.9382   2.4450   1.0710 -0.4448000 1.423000 
1 1 1   38   22    9 o   3.0870   0.7889   2.7840   1.1280   3.3910   1.1030 -0.6070000 1.578000 
1 1 1   38   22   10 o   2.2700   0.7115   2.6310   1.1010   1.9100   0.9018 0.7206000 1.423000 
1 1 1   38   22   11 o   2.9060   0.7713   3.6640   1.1880   2.1470   0.9838 1.517000 1.543000 
1 1 1   38   22   12 o   1.9530   0.6559   1.9150   0.9173   1.9920   0.9377 -0.7631000E-01 1.312000 
1 1 1   38   22   13 o   2.2840   0.7672   2.3050   1.0800   2.2630   1.0900 0.4218000E-01 1.534000 
1 1 1   38   24    0 o   2.8630   0.7883   3.4260   1.2090   2.2990   1.0120 1.127000 1.577000 
1 1 1   38   24    1 o   2.2910   0.6956   2.8880   1.1210   1.6930   0.8242 1.195000 1.391000 
1 1 1   38   24    2 o   6.3720   0.5073   6.2120   0.7835   6.5310   0.6448 -0.3188000 1.015000 
1 1 1   38   24    3 o   3.1410   0.8207   3.0930   1.1400   3.1900   1.1810 -0.9710000E-01 1.641000 
1 1 1   38   24    4 o   2.4640   0.7175   3.1520   1.1500   1.7760   0.8589 1.377000 1.435000 
1 1 1   38   24    5 o   5.6280   0.6793   5.0610   0.9965   6.1950   0.9235 -1.134000 1.359000 
1 1 1   38   24    6 o   4.9940   0.7664   4.8380   1.0560   5.1490   1.1110 -0.3109000 1.533000 
1 1 1   38   24    7 o   2.7220   0.7850   2.5450   1.0830   2.8990   1.1360 -0.3542000 1.570000 
1 1 1   38   24    8 o   3.9490   0.7663   3.2230   1.1740   4.6740   0.9854 -1.451000 1.533000 
1 1 1   38   24    9 o   3.3920   0.7385   4.5350   1.0950   2.2500   0.9909 2.285000 1.477000 
1 1 1   38   26    0 o   2.1680   0.6728   1.7840   0.8609   2.5520   1.0340 -0.7683000 1.346000 
1 1 1   38   26    1 o   3.5240   0.7713   4.1060   1.1050   2.9410   1.0760 1.165000 1.543000 
1 1 1   38   26    2 o   6.9820   0.4702   7.8340   0.6165   6.1300   0.7102 1.705000 0.9405000 
1 1 1   38   26    3 o   3.0690   0.8175   3.3110   1.1500   2.8270   1.1620 0.4843000 1.635000 
1 1 1   38   26    4 o   2.8060   0.8877   2.7460   1.2130   2.8650   1.2960 -0.1190000 1.775000 
1 1 1   39    1    0 o   31.230   0.2262   31.530   0.3546   30.940   0.2810 0.5899000 0.4525000 
1 1 1   39    1    1 o   15.870   0.2008   15.800   0.3174   15.950   0.2462 -0.1466000 0.4017000 
1 1 1   39    1    2 o   32.000   0.3796   32.010   0.5479   31.990   0.5254 0.1104000E-01 0.7591000 
1 1 1   39    1    3 o   6.2850   0.4989   6.9790   0.6128   5.5910   0.7873 1.387000 0.9977000 
1 1 1   39    1    4 o   12.600   0.2262   12.790   0.3188   12.400   0.3209 0.3894000 0.4523000 
1 1 1   39    1    5 o   25.010   0.1989   25.320   0.2828   24.690   0.2798 0.6297000 0.3978000 
1 1 1   39    1    6 o   39.580   0.2551   39.270   0.3590   39.900   0.3625 -0.6321000 0.5102000 
1 1 1   39    1    7 o   17.510   0.2119   17.430   0.3029   17.590   0.2965 -0.1639000 0.4238000 
1 1 1   39    1    8 o   9.0260   0.3311   8.8660   0.4774   9.1870   0.4589 -0.3200000 0.6622000 
1 1 1   39    1    9 f   10.990   0.2878   11.010   0.4076   10.970   0.4064 0.4041000E-01 0.5756000 
1 1 1   39    1   10 o   9.5580   0.3546   9.7360   0.5311   9.3800   0.4700 0.3559000 0.7092000 
1 1 1   39    1   11 o   12.180   0.3080   12.340   0.3920   12.010   0.4750 0.3258000 0.6159000 
1 1 1   39    1   12 o   6.1020   0.5468   5.1980   0.8773   7.0050   0.6528 -1.807000 1.094000 
1 1 1   39    1   13 o   4.8560   0.6770   4.1590   1.0790   5.5520   0.8180 -1.392000 1.354000 
1 1 1   39    1   14 o   3.1290   0.7863   3.0690   1.1130   3.1880   1.1110 -0.1182000 1.573000 
1 1 1   39    1   15 o   4.7850   1.0900   4.6360   1.5800   4.9330   1.5040 -0.2969000 2.181000 
1 1 1   39    1   16 o   6.9740   0.4940   7.1680   0.6825   6.7810   0.7144 0.3868000 0.9880000 
1 1 1   39    1   17 o   8.0240   0.4264   8.1020   0.5999   7.9460   0.6062 0.1560000 0.8528000 
1 1 1   39    1   18 o   2.8270   0.7808   2.4930   1.0620   3.1620   1.1450 -0.6683000 1.562000 
1 1 1   39    1   19 o   2.4790   0.7472   2.1680   0.9880   2.7900   1.1210 -0.6220000 1.494000 
1 1 1   39    1   20 o   2.6960   0.7561   2.0800   0.9645   3.3110   1.1650 -1.231000 1.512000 
1 1 1   39    1   21 o   5.3530   0.6863   5.1350   1.0050   5.5700   0.9354 -0.4342000 1.373000 
1 1 1   39    1   22 o   2.7970   0.8187   3.3920   1.2680   2.2020   1.0360 1.190000 1.637000 
1 1 1   39    1   23 o   1.9540   0.6585   1.9410   0.9262   1.9670   0.9364 -0.2630000E-01 1.317000 
1 1 1   39    1   24 o   2.3790   0.7518   2.3360   1.0540   2.4220   1.0720 -0.8548000E-01 1.504000 
1 1 1   39    1   25 o   2.1240   0.6920   1.7130   0.8440   2.5340   1.0970 -0.8207000 1.384000 
1 1 1   39    3    0 o   35.640   0.3352   37.100   0.4028   34.190   0.5360 2.908000 0.6705000 
1 1 1   39    3    1 o   22.950   0.2162   22.880   0.3109   23.020   0.3005 -0.1450000 0.4324000 
1 1 1   39    3    2 f   32.450   0.2413   32.680   0.3769   32.220   0.3013 0.4574000 0.4826000 
1 1 1   39    3    3 o   3.5870   0.8973   4.2650   1.4410   2.9090   1.0690 1.356000 1.795000 
1 1 1   39    3    4 f   6.9510   0.4256   7.1180   0.6717   6.7840   0.5228 0.3336000 0.8512000 
1 1 1   39    3    5 o   3.1160   0.7550   2.9370   1.1330   3.2950   0.9978 -0.3578000 1.510000 
1 1 1   39    3    6 o   5.5370   0.5650   5.8250   0.8601   5.2490   0.7329 0.5761000 1.130000 
1 1 1   39    3    7 o   10.670   0.3144   10.740   0.4896   10.600   0.3945 0.1409000 0.6287000 
1 1 1   39    3    8 o   11.710   0.3049   11.710   0.4808   11.710   0.3750 0.1471000E-02 0.6098000 
1 1 1   39    3    9 o   7.8180   0.4273   8.5080   0.6281   7.1290   0.5795 1.380000 0.8546000 
1 1 1   39    3   10 o   2.8820   0.7778   3.2330   1.1640   2.5310   1.0310 0.7023000 1.556000 
1 1 1   39    3   11 o   9.2090   0.3908   9.7300   0.4707   8.6880   0.6240 1.042000 0.7817000 
1 1 1   39    3   12 o   11.830   0.2940   11.970   0.4141   11.690   0.4175 0.2787000 0.5880000 
1 1 1   39    3   13 o   2.2000   0.6939   2.1740   0.9740   2.2270   0.9885 -0.5245000E-01 1.388000 
1 1 1   39    3   14 o   4.9670   0.8004   4.8810   1.1680   5.0530   1.0950 -0.1713000 1.601000 
1 1 1   39    3   15 o   5.2390   1.0030   5.7170   1.5750   4.7620   1.2420 0.9551000 2.006000 
1 1 1   39    3   16 o   8.2910   0.4238   7.6170   0.6431   8.9650   0.5523 -1.348000 0.8477000 
1 1 1   39    3   17 o   5.7770   0.5921   5.5420   0.8811   6.0110   0.7910 -0.4692000 1.184000 
1 1 1   39    3   18 o   2.7180   0.7805   2.7840   1.1180   2.6520   1.0890 0.1311000 1.561000 
1 1 1   39    3   19 o   2.6810   0.7730   2.8740   1.1210   2.4890   1.0640 0.3850000 1.546000 
1 1 1   39    3   20 o   2.3820   0.7224   1.9490   0.9198   2.8150   1.1140 -0.8659000 1.445000 
1 1 1   39    3   21 o   2.9780   0.8091   2.9670   1.1480   2.9890   1.1400 -0.2174000E-01 1.618000 
1 1 1   39    3   22 o   2.5770   0.8048   2.6380   1.1510   2.5170   1.1250 0.1210000 1.610000 
1 1 1   39    3   23 o   2.6170   0.7836   2.6370   1.1140   2.5970   1.1020 0.3990000E-01 1.567000 
1 1 1   39    3   24 o   1.9370   0.6539   2.0020   0.9475   1.8720   0.9015 0.1306000 1.308000 
1 1 1   39    3   25 o   2.3280   0.7406   2.1460   0.9983   2.5110   1.0940 -0.3656000 1.481000 
1 1 1   39    5    0 o   11.370   0.3590   11.800   0.2616   10.940   0.6687 0.8605000 0.7181000 
1 1 1   39    5    1 o   15.920   0.2971   15.710   0.2763   16.130   0.5259 -0.4142000 0.5941000 
1 1 1   39    5    2 o   14.940   0.3212   14.220   0.3403   15.650   0.5450 -1.426000 0.6425000 
1 1 1   39    5    3 o   21.900   0.2122   21.970   0.2662   21.840   0.3305 0.1330000 0.4244000 
1 1 1   39    5    4 o   20.080   0.1899   19.860   0.2683   20.300   0.2687 -0.4434000 0.3797000 
1 1 1   39    5    5 o   8.5360   0.3071   8.5020   0.4292   8.5700   0.4394 -0.6822000E-01 0.6143000 
1 1 1   39    5    6 o   10.170   0.2762   10.170   0.3820   10.180   0.3991 -0.7424000E-02 0.5524000 
1 1 1   39    5    7 f   10.660   0.2791   11.160   0.3773   10.170   0.4114 0.9906000 0.5582000 
1 1 1   39    5    8 o   5.2770   0.5465   5.5680   0.7357   4.9850   0.8083 0.5828000 1.093000 
1 1 1   39    5    9 f   10.130   0.3313   9.7090   0.5070   10.540   0.4265 -0.8327000 0.6625000 
1 1 1   39    5   10 o   8.1610   0.4780   8.3730   0.6599   7.9490   0.6917 0.4238000 0.9560000 
1 1 1   39    5   11 o   14.360   0.2897   14.250   0.4477   14.470   0.3679 -0.2231000 0.5795000 
1 1 1   39    5   12 o   9.0840   0.3607   8.7800   0.5220   9.3880   0.4980 -0.6083000 0.7214000 
1 1 1   39    5   13 o   4.7900   0.6789   4.4380   1.0110   5.1430   0.9059 -0.7047000 1.358000 
1 1 1   39    5   14 o   7.5700   0.4789   6.8620   0.6680   8.2780   0.6863 -1.417000 0.9577000 
1 1 1   39    5   15 o   9.5210   0.4242   9.1780   0.5591   9.8640   0.6381 -0.6865000 0.8484000 
1 1 1   39    5   16 o   5.2210   0.6054   4.8160   0.8579   5.6250   0.8543 -0.8092000 1.211000 
1 1 1   39    5   17 o   4.8390   0.6539   4.4700   0.9160   5.2090   0.9333 -0.7394000 1.308000 
1 1 1   39    5   18 o   3.2580   0.7785   2.7510   1.0560   3.7640   1.1440 -1.013000 1.557000 
1 1 1   39    5   19 o   2.2320   0.6982   2.3220   0.9934   2.1410   0.9813 0.1806000 1.396000 
1 1 1   39    5   20 o   2.2220   0.6943   1.8260   0.8632   2.6180   1.0880 -0.7914000 1.389000 
1 1 1   39    5   21 o   3.1240   0.7948   3.4280   1.1140   2.8190   1.1340 0.6086000 1.590000 
1 1 1   39    5   22 o   3.5100   0.9058   3.9240   1.2960   3.0960   1.2660 0.8278000 1.812000 
1 1 1   39    5   23 o   2.0690   0.6844   2.2020   1.0110   1.9350   0.9230 0.2672000 1.369000 
1 1 1   39    5   24 o   1.9530   0.6586   1.9820   0.9415   1.9250   0.9210 0.5694000E-01 1.317000 
1 1 1   39    7    0 o   36.000   0.2168   36.020   0.3261   35.980   0.2858 0.4667000E-01 0.4336000 
1 1 1   39    7    1 o   18.890   0.3296  ?   ?    18.890   0.3296      ?      ? 
1 1 1   39    7    2 o   16.690   0.3257   16.310   0.3422   17.060   0.5542 -0.7503000 0.6513000 
1 1 1   39    7    3 o   16.310   0.3192   15.830   0.2785   16.780   0.5744 -0.9477000 0.6384000 
1 1 1   39    7    4 f   7.8350   0.5616   7.5960   0.4666   8.0730   1.0220 -0.4772000 1.123000 
1 1 1   39    7    5 o   11.090   0.4144   10.990   0.3569   11.200   0.7481 -0.2120000 0.8289000 
1 1 1   39    7    6 o   10.530   0.2752   10.410   0.3903   10.650   0.3880 -0.2365000 0.5503000 
1 1 1   39    7    7 o   11.820   0.2819   11.740   0.4251   11.890   0.3704 -0.1409000 0.5639000 
1 1 1   39    7    8 o   20.760   0.2143   20.550   0.3051   20.980   0.3011 -0.4316000 0.4287000 
1 1 1   39    7    9 o   9.2070   0.3388   9.4400   0.4669   8.9740   0.4910 0.4661000 0.6775000 
1 1 1   39    7   10 o   10.670   0.4017   10.320   0.5878   11.030   0.5477 -0.7108000 0.8034000 
1 1 1   39    7   11 o   2.5800   0.7300   2.2190   0.9790   2.9410   1.0830 -0.7221000 1.460000 
1 1 1   39    7   12 o   4.9730   0.6451   5.1820   0.8818   4.7630   0.9418 0.4190000 1.290000 
1 1 1   39    7   13 o   11.270   0.3440   10.850   0.4631   11.690   0.5090 -0.8427000 0.6881000 
1 1 1   39    7   14 f   6.0020   0.5655   5.6660   0.8421   6.3370   0.7549 -0.6715000 1.131000 
1 1 1   39    7   15 o   7.7010   0.5560   7.5220   0.8162   7.8800   0.7553 -0.3589000 1.112000 
1 1 1   39    7   16 o   3.6450   0.8058   3.9090   1.1280   3.3810   1.1520 0.5280000 1.612000 
1 1 1   39    7   17 o   2.3370   0.7148   1.9240   0.9082   2.7500   1.1040 -0.8258000 1.430000 
1 1 1   39    7   18 o   3.5390   0.8150   3.2450   1.1460   3.8340   1.1590 -0.5892000 1.630000 
1 1 1   39    7   19 o   2.9640   0.7818   3.1080   1.0850   2.8210   1.1260 0.2872000 1.564000 
1 1 1   39    7   20 o   2.4950   0.7317   1.9520   0.9028   3.0390   1.1520 -1.087000 1.463000 
1 1 1   39    7   21 o   3.1310   0.7676   2.2200   1.0060   4.0410   1.1600 -1.821000 1.535000 
1 1 1   39    7   22 o   2.0140   0.6822   2.0010   0.9490   2.0270   0.9804 -0.2558000E-01 1.364000 
1 1 1   39    7   23 o   2.4590   0.7306   2.8760   1.1030   2.0420   0.9583 0.8340000 1.461000 
1 1 1   39    7   24 o   2.2970   0.6983   1.5800   0.7814   3.0150   1.1580 -1.435000 1.397000 
1 1 1   39    9    0 o   29.130   0.2376   29.090   0.3670   29.170   0.3018 -0.7910000E-01 0.4752000 
1 1 1   39    9    1 o   35.440   0.2197   35.260   0.3298   35.620   0.2904 -0.3531000 0.4394000 
1 1 1   39    9    2 o   9.3920   0.2754   8.9290   0.3996   9.8550   0.3790 -0.9267000 0.5508000 
1 1 1   39    9    3 o   11.760   0.2421   11.980   0.3290   11.540   0.3552 0.4472000 0.4841000 
1 1 1   39    9    4 o   13.270   0.2282   13.220   0.3234   13.330   0.3220 -0.1055000 0.4563000 
1 1 1   39    9    5 f   9.7920   0.4999   9.5590   0.4595   10.020   0.8881 -0.4647000 0.9999000 
1 1 1   39    9    6 o   7.1710   0.6957   7.3840   0.6048   6.9590   1.2530 0.4247000 1.391000 
1 1 1   39    9    7 o   12.260   0.4092   11.700   0.3777   12.810   0.7262 -1.111000 0.8185000 
1 1 1   39    9    8 o   2.9270   0.7880   3.0420   1.0690   2.8120   1.1580 0.2302000 1.576000 
1 1 1   39    9    9 o   11.440   0.3766   11.960   0.5173   10.930   0.5475 1.035000 0.7532000 
1 1 1   39    9   10 o   3.3060   0.7735   3.0750   1.0880   3.5370   1.0990 -0.4614000 1.547000 
1 1 1   39    9   11 o   2.8700   0.7896   2.6800   1.0640   3.0610   1.1670 -0.3808000 1.579000 
1 1 1   39    9   12 o   6.2690   0.5599   6.4850   0.6867   6.0520   0.8845 0.4329000 1.120000 
1 1 1   39    9   13 o   2.6290   0.7605   2.8130   1.1100   2.4460   1.0400 0.3669000 1.521000 
1 1 1   39    9   14 o   4.1200   0.9020   4.1970   1.3230   4.0430   1.2270 0.1539000 1.804000 
1 1 1   39    9   15 o   1.9560   0.6493   1.7610   0.8555   2.1500   0.9771 -0.3889000 1.299000 
1 1 1   39    9   16 o   3.5490   0.8004   4.1140   1.1310   2.9840   1.1330 1.129000 1.601000 
1 1 1   39    9   17 o   1.7860   0.6120   1.8720   0.8989   1.6990   0.8308 0.1732000 1.224000 
1 1 1   39    9   18 o   2.9620   0.8077   2.8380   1.1400   3.0860   1.1440 -0.2485000 1.615000 
1 1 1   39    9   19 o   2.2680   0.7181   2.2110   1.0050   2.3250   1.0260 -0.1148000 1.436000 
1 1 1   39    9   20 o   2.7800   0.8123   2.7180   1.1620   2.8430   1.1360 -0.1245000 1.625000 
1 1 1   39    9   21 o   1.8610   0.6439   1.7520   0.8570   1.9690   0.9613 -0.2165000 1.288000 
1 1 1   39    9   22 o   1.8440   0.6453   1.6750   0.8411   2.0130   0.9788 -0.3379000 1.291000 
1 1 1   39    9   23 o   1.8390   0.6333   1.7770   0.8585   1.9010   0.9313 -0.1240000 1.267000 
1 1 1   39   11    0 o   7.5620   0.3130   7.8430   0.4447   7.2800   0.4406 0.5628000 0.6260000 
1 1 1   39   11    1 f   2.3530   0.6497   2.7210   0.9714   1.9850   0.8631 0.7359000 1.299000 
1 1 1   39   11    2 o   13.240   0.2455   12.750   0.3647   13.740   0.3287 -0.9870000 0.4910000 
1 1 1   39   11    3 o   17.280   0.2214   17.430   0.3311   17.130   0.2939 0.3071000 0.4427000 
1 1 1   39   11    4 o   14.950   0.2281   14.630   0.3154   15.270   0.3296 -0.6366000 0.4562000 
1 1 1   39   11    5 o   11.590   0.2724   11.360   0.3828   11.830   0.3878 -0.4764000 0.5449000 
1 1 1   39   11    6 o   8.8700   0.3393   8.8310   0.4807   8.9090   0.4789 -0.7795000E-01 0.6785000 
1 1 1   39   11    7 o   8.9600   0.3485   9.1110   0.4852   8.8100   0.5003 0.3007000 0.6969000 
1 1 1   39   11    8 o   10.620   0.4204   11.210   0.5525   10.030   0.6338 1.185000 0.8408000 
1 1 1   39   11    9 o   4.2000   1.0310   4.2000   1.0310  ?   ?       ?      ? 
1 1 1   39   11   10 o   3.5300   1.0990   3.5300   1.0990  ?   ?       ?      ? 
1 1 1   39   11   11 o   8.5080   0.6006   7.7710   0.5917   9.2450   1.0450 -1.473000 1.201000 
1 1 1   39   11   12 o   9.8310   0.3517   10.050   0.4851   9.6170   0.5095 0.4284000 0.7035000 
1 1 1   39   11   13 o   3.4080   0.8842   3.5950   1.2860   3.2200   1.2140 0.3754000 1.768000 
1 1 1   39   11   14 f   5.4840   0.6150   5.1470   0.9225   5.8210   0.8137 -0.6744000 1.230000 
1 1 1   39   11   15 o   5.8680   0.5760   6.0670   0.7990   5.6690   0.8300 0.3979000 1.152000 
1 1 1   39   11   16 o   3.3930   0.8075   3.1080   1.1440   3.6780   1.1400 -0.5704000 1.615000 
1 1 1   39   11   17 o   3.8270   0.8222   4.0660   1.1650   3.5880   1.1610 0.4781000 1.644000 
1 1 1   39   11   18 o   3.4760   0.8272   3.1510   1.1710   3.8010   1.1690 -0.6500000 1.654000 
1 1 1   39   11   19 o   2.3790   0.7661   2.2420   1.0470   2.5160   1.1190 -0.2737000 1.532000 
1 1 1   39   11   20 o   2.2550   0.7231   2.6740   1.1280   1.8370   0.9052 0.8370000 1.446000 
1 1 1   39   11   21 o   2.5980   0.8643   2.5410   1.1720   2.6550   1.2710 -0.1134000 1.729000 
1 1 1   39   11   22 o   1.9880   0.6785   2.0270   0.9657   1.9490   0.9535 0.7839000E-01 1.357000 
1 1 1   39   13    0 o   8.2900   0.3115   8.1190   0.4645   8.4600   0.4151 -0.3408000 0.6230000 
1 1 1   39   13    1 o   10.170   0.2697   9.8970   0.4061   10.450   0.3551 -0.5553000 0.5394000 
1 1 1   39   13    2 o   6.8210   0.3860   6.4990   0.5859   7.1430   0.5027 -0.6435000 0.7720000 
1 1 1   39   13    3 o   8.5490   0.3312   8.3170   0.4881   8.7800   0.4477 -0.4626000 0.6623000 
1 1 1   39   13    4 o   10.440   0.2907   9.7250   0.4447   11.160   0.3745 -1.434000 0.5814000 
1 1 1   39   13    5 o   17.420   0.2293   17.420   0.3222   17.420   0.3263 0.8030000E-03 0.4586000 
1 1 1   39   13    6 o   5.1070   0.7767   3.9190   1.2170   6.2940   0.9654 -2.375000 1.553000 
1 1 1   39   13    7 o   5.6790   0.8273   6.7090   0.8532   4.6490   1.4180 2.060000 1.655000 
1 1 1   39   13    8 o   3.7860   0.7923   3.4980   1.1000   4.0750   1.1410 -0.5765000 1.585000 
1 1 1   39   13    9 o   2.0860   0.6594   2.5060   1.0430   1.6650   0.8069 0.8410000 1.319000 
1 1 1   39   13   10 o   5.9290   0.5418   6.4660   0.6979   5.3920   0.8289 1.074000 1.084000 
1 1 1   39   13   11 o   4.3670   0.7124   5.2690   0.8937   3.4640   1.1100 1.805000 1.425000 
1 1 1   39   13   12 o   2.4650   0.8311   1.7560   0.8712   3.1740   1.4160 -1.419000 1.662000 
1 1 1   39   13   13 o   3.1300   0.9278   2.7380   1.1000   3.5210   1.4940 -0.7839000 1.856000 
1 1 1   39   13   14 o   7.8810   0.6643   6.8290   0.7130   8.9320   1.1210 -2.103000 1.329000 
1 1 1   39   13   15 o   4.5300   0.8287   4.2810   1.1070   4.7790   1.2340 -0.4971000 1.657000 
1 1 1   39   13   16 o   3.2620   0.8161   3.1140   1.1560   3.4110   1.1530 -0.2964000 1.632000 
1 1 1   39   13   17 f   2.8580   0.7782   1.8930   0.9132   3.8230   1.2600 -1.930000 1.556000 
1 1 1   39   13   18 o   2.5850   0.7981   2.5100   1.0950   2.6600   1.1610 -0.1502000 1.596000 
1 1 1   39   13   19 o   2.8620   0.7914   1.8440   0.8852   3.8800   1.3120 -2.036000 1.583000 
1 1 1   39   13   20 o   2.4190   0.8179   2.0260   0.9813   2.8120   1.3090 -0.7862000 1.636000 
1 1 1   39   13   21 o   1.9070   0.6463   1.9830   0.9399   1.8310   0.8873 0.1514000 1.293000 
1 1 1   39   15    0 o   10.210   0.2748   10.110   0.4115   10.310   0.3643 -0.2053000 0.5496000 
1 1 1   39   15    1 o   12.110   0.2458   12.020   0.3616   12.210   0.3330 -0.1899000 0.4916000 
1 1 1   39   15    2 o   4.8810   0.5625   4.7460   0.8715   5.0150   0.7114 -0.2691000 1.125000 
1 1 1   39   15    3 o   7.3760   0.3963   7.9280   0.5291   6.8250   0.5902 1.102000 0.7926000 
1 1 1   39   15    4 o   2.4250   0.7478   1.7340   0.8516   3.1150   1.2300 -1.381000 1.496000 
1 1 1   39   15    5 o   7.8010   0.5458   7.2540   0.7911   8.3480   0.7522 -1.094000 1.092000 
1 1 1   39   15    6 o   2.6780   0.7411   2.5550   1.0420   2.8010   1.0540 -0.2462000 1.482000 
1 1 1   39   15    7 o   5.5140   0.5916   6.1620   0.7167   4.8660   0.9414 1.296000 1.183000 
1 1 1   39   15    8 o   8.7790   0.3815   7.9480   0.5751   9.6100   0.5015 -1.662000 0.7630000 
1 1 1   39   15    9 o   2.2630   0.6993   2.4840   1.0390   2.0420   0.9361 0.4418000 1.399000 
1 1 1   39   15   10 o   3.0390   0.8354   2.5310   1.1310   3.5470   1.2300 -1.016000 1.671000 
1 1 1   39   15   11 o   3.8520   0.7881   3.7730   1.1250   3.9300   1.1040 -0.1574000 1.576000 
1 1 1   39   15   12 o   2.8530   0.7634   2.3600   1.0300   3.3460   1.1270 -0.9861000 1.527000 
1 1 1   39   15   13 o   5.0960   0.6852   4.4640   1.0800   5.7280   0.8435 -1.264000 1.370000 
1 1 1   39   15   14 o   2.0550   0.6726   2.1610   0.9814   1.9480   0.9201 0.2128000 1.345000 
1 1 1   39   15   15 o   2.2790   0.7321   2.0180   0.9451   2.5400   1.1180 -0.5221000 1.464000 
1 1 1   39   15   16 o   2.2100   1.0280   2.2100   1.0280  ?   ?       ?      ? 
1 1 1   39   15   17 o   2.1980   1.0010   2.1980   1.0010  ?   ?       ?      ? 
1 1 1   39   15   18 o   2.8220   1.1340   2.8220   1.1340  ?   ?       ?      ? 
1 1 1   39   15   19 o   2.3080   0.7787   2.4860   1.1340   2.1290   1.0670 0.3572000 1.557000 
1 1 1   39   15   20 f   2.3950   0.7627   2.4960   1.0880   2.2940   1.0690 0.2018000 1.525000 
1 1 1   39   17    0 o   8.3590   0.4201   8.8470   0.4825   7.8710   0.6879 0.9764000 0.8403000 
1 1 1   39   17    1 o   9.1290   0.4085   9.1570   0.6154   9.1000   0.5373 0.5674000E-01 0.8170000 
1 1 1   39   17    2 o   6.1830   0.5970   5.7550   0.9445   6.6110   0.7305 -0.8560000 1.194000 
1 1 1   39   17    3 o   6.8020   0.4254   6.3050   0.6763   7.2980   0.5162 -0.9934000 0.8508000 
1 1 1   39   17    4 o   9.4650   0.3258   8.9870   0.5050   9.9430   0.4117 -0.9566000 0.6515000 
1 1 1   39   17    5 o   4.6860   0.6301   5.6280   0.7771   3.7450   0.9922 1.883000 1.260000 
1 1 1   39   17    6 o   9.5810   0.3397   10.310   0.4633   8.8480   0.4969 1.466000 0.6794000 
1 1 1   39   17    7 f   3.5000   0.7364   4.3700   1.0360   2.6290   1.0470 1.741000 1.473000 
1 1 1   39   17    8 o   6.2930   0.7050   6.1020   1.0460   6.4850   0.9457 -0.3828000 1.410000 
1 1 1   39   17    9 o   2.1740   0.7198   1.8910   0.9261   2.4570   1.1020 -0.5660000 1.440000 
1 1 1   39   17   10 o   5.5390   0.6294   6.2470   0.7653   4.8320   0.9994 1.415000 1.259000 
1 1 1   39   17   11 o   3.3940   0.8005   3.8330   1.1410   2.9560   1.1230 0.8776000 1.601000 
1 1 1   39   17   12 o   3.2240   0.7304   2.1190   0.9707   4.3300   1.0920 -2.211000 1.461000 
1 1 1   39   17   13 o   2.4620   0.7573   2.6930   1.1080   2.2320   1.0320 0.4610000 1.515000 
1 1 1   39   17   14 o   2.4060   0.7613   2.5100   1.1000   2.3030   1.0530 0.2065000 1.523000 
1 1 1   39   17   15 o   2.3770   0.7503   2.1330   0.9803   2.6220   1.1360 -0.4894000 1.501000 
1 1 1   39   17   16 o   1.6870   0.5904   1.6110   0.7982   1.7620   0.8702 -0.1506000 1.181000 
1 1 1   39   17   17 o   1.9710   0.6740   1.8270   0.8836   2.1160   1.0180 -0.2886000 1.348000 
1 1 1   39   17   18 o   2.1690   0.7357   2.1920   1.0450   2.1460   1.0360 0.4611000E-01 1.471000 
1 1 1   39   19    0 o   4.4480   0.6487   4.3980   0.9727   4.4980   0.8585 -0.9961000E-01 1.297000 
1 1 1   39   19    1 o   3.0540   0.7217   3.7480   1.0710   2.3600   0.9675 1.389000 1.443000 
1 1 1   39   19    2 o   2.1740   0.6342   1.5350   0.7570   2.8130   1.0180 -1.279000 1.268000 
1 1 1   39   19    3 o   2.6230   0.7134   3.2000   1.1000   2.0450   0.9090 1.155000 1.427000 
1 1 1   39   19    4 o   2.2660   0.6822   2.7880   1.0860   1.7440   0.8254 1.044000 1.364000 
1 1 1   39   19    5 o   2.3480   0.7235   2.2490   0.9980   2.4480   1.0480 -0.1990000 1.447000 
1 1 1   39   19    6 o   2.5570   0.7767   2.4410   1.1050   2.6740   1.0920 -0.2334000 1.553000 
1 1 1   39   19    7 o   6.3880   0.5021   6.5110   0.7466   6.2650   0.6717 0.2456000 1.004000 
1 1 1   39   19    8 o   2.0780   0.6713   1.9430   0.9164   2.2120   0.9812 -0.2691000 1.343000 
1 1 1   39   19    9 o   3.4920   0.8094   3.3740   1.1670   3.6100   1.1210 -0.2353000 1.619000 
1 1 1   39   19   10 o   2.6400   0.7805   2.7650   1.1170   2.5140   1.0900 0.2510000 1.561000 
1 1 1   39   19   11 o   2.6980   0.7564   1.7740   0.8717   3.6220   1.2360 -1.847000 1.513000 
1 1 1   39   19   12 o   3.0560   0.7724   1.9670   0.9441   4.1440   1.2230 -2.177000 1.545000 
1 1 1   39   19   13 o   2.4630   0.7612   2.1520   0.9849   2.7730   1.1610 -0.6215000 1.522000 
1 1 1   39   19   14 o   2.3580   0.7490   2.2960   1.0270   2.4190   1.0900 -0.1236000 1.498000 
1 1 1   39   19   15 o   2.3530   0.7237   1.8630   0.8959   2.8440   1.1370 -0.9804000 1.447000 
1 1 1   39   19   16 o   1.9010   0.6620   1.8280   0.9050   1.9740   0.9663 -0.1454000 1.324000 
1 1 1   39   21    0 o   5.4420   0.5580   5.3070   0.8524   5.5770   0.7203 -0.2700000 1.116000 
1 1 1   39   21    1 o   4.8920   0.6380   5.6390   0.8210   4.1440   0.9769 1.494000 1.276000 
1 1 1   39   21    2 o   4.0110   0.8183   3.3930   1.2730   4.6290   1.0290 -1.236000 1.637000 
1 1 1   39   21    3 o   4.5860   0.7897   3.6590   1.3020   5.5120   0.8938 -1.853000 1.579000 
1 1 1   39   21    4 o   3.2400   0.7709   3.8080   1.1400   2.6730   1.0380 1.135000 1.542000 
1 1 1   39   21    5 o   2.1900   0.6914   2.2940   1.0150   2.0870   0.9385 0.2073000 1.383000 
1 1 1   39   21    6 o   2.5770   0.7249   2.1540   0.9794   3.0000   1.0690 -0.8463000 1.450000 
1 1 1   39   21    7 o   3.8500   0.8242   3.5420   1.2270   4.1570   1.1000 -0.6151000 1.648000 
1 1 1   39   21    8 o   2.2200   0.7139   2.1830   1.0150   2.2560   1.0040 -0.7329000E-01 1.428000 
1 1 1   39   21    9 o   3.7820   0.8506   3.4550   1.1900   4.1080   1.2150 -0.6528000 1.701000 
1 1 1   39   21   10 o   3.3130   0.8580   3.3540   1.1770   3.2730   1.2490 0.8182000E-01 1.716000 
1 1 1   39   21   11 o   2.8570   0.8168   3.1570   1.1670   2.5580   1.1430 0.5993000 1.634000 
1 1 1   39   21   12 o   1.9300   0.6624   1.6960   0.8327   2.1650   1.0300 -0.4690000 1.325000 
1 1 1   39   21   13 o   1.9620   0.6593   1.7620   0.8604   2.1620   0.9993 -0.3997000 1.319000 
1 1 1   39   21   14 o   2.2810   0.7625   2.0860   1.0070   2.4760   1.1450 -0.3907000 1.525000 
1 1 1   39   23    0 o   4.4920   0.6945   4.2710   1.0690   4.7130   0.8864 -0.4422000 1.389000 
1 1 1   39   23    1 o   7.2790   0.5164   6.8420   0.8168   7.7150   0.6322 -0.8731000 1.033000 
1 1 1   39   23    2 o   2.3570   0.7414   2.5170   1.1060   2.1970   0.9873 0.3202000 1.483000 
1 1 1   39   23    3 o   5.6250   0.6667   5.5240   1.0300   5.7250   0.8466 -0.2014000 1.333000 
1 1 1   39   23    4 o   2.2350   0.7081   1.9710   0.9424   2.5000   1.0570 -0.5288000 1.416000 
1 1 1   39   23    5 o   2.5480   0.7165   3.2950   1.1500   1.8000   0.8556 1.495000 1.433000 
1 1 1   39   23    6 o   3.2330   0.7906   3.6570   1.1580   2.8090   1.0760 0.8481000 1.581000 
1 1 1   39   23    7 o   2.0030   0.6579   2.1760   0.9907   1.8290   0.8660 0.3473000 1.316000 
1 1 1   39   23    8 o   1.8630   0.6356   1.7660   0.8572   1.9600   0.9386 -0.1932000 1.271000 
1 1 1   39   23    9 o   2.3340   1.0370   2.3340   1.0370  ?   ?       ?      ? 
1 1 1   39   23   10 o   1.9740   0.6646   1.8160   0.8809   2.1320   0.9954 -0.3154000 1.329000 
1 1 1   39   23   11 o   1.7250   0.6168   1.6780   0.8442   1.7720   0.8996 -0.9467000E-01 1.234000 
1 1 1   39   25    0 o   3.4650   0.7977   3.0450   1.1360   3.8840   1.1210 -0.8397000 1.595000 
1 1 1   39   25    1 o   2.3350   0.6815   1.7510   0.8452   2.9200   1.0690 -1.169000 1.363000 
1 1 1   39   25    2 o   3.8770   0.7370   4.7930   1.0030   2.9620   1.0800 1.831000 1.474000 
1 1 1   39   25    3 o   2.7390   0.7549   2.3900   1.0420   3.0890   1.0930 -0.6989000 1.510000 
1 1 1   39   25    4 o   3.3830   0.8083   3.5010   1.1800   3.2640   1.1050 0.2369000 1.617000 
1 1 1   39   25    5 o   3.4110   0.8088   3.5420   1.1690   3.2810   1.1180 0.2604000 1.618000 
1 1 1   39   25    6 o   2.1290   0.6870   2.3580   1.0400   1.9010   0.8981 0.4569000 1.374000 
1 1 1   40    0    0 o   4.9590   0.5986   4.9590   0.5986   4.9590   0.5986 0.000000 0.000000 
1 1 1   40    0    1 o   2.7310   1.1110   2.7310   1.1110   2.7310   1.1110 0.000000 0.000000 
1 1 1   40    0    2 o   22.940   0.4697   22.940   0.4697   22.940   0.4697 0.000000 0.000000 
1 1 1   40    0    3 o   9.0340   0.3948   9.0340   0.3948   9.0340   0.3948 0.000000 0.000000 
1 1 1   40    0    4 o   28.360   0.2895   28.360   0.2895   28.360   0.2895 0.000000 0.000000 
1 1 1   40    0    5 o   14.580   0.3040   14.580   0.3040   14.580   0.3040 0.000000 0.000000 
1 1 1   40    0    6 o   2.1010   1.1810   2.1010   1.1810   2.1010   1.1810 0.000000 0.000000 
1 1 1   40    0    7 o   9.7270   0.4230   9.7270   0.4230   9.7270   0.4230 0.000000 0.000000 
1 1 1   40    0    8 f   9.2480   0.4530   9.2480   0.4530   9.2480   0.4530 0.000000 0.000000 
1 1 1   40    0    9 o   4.7310   0.9554   4.7310   0.9554   4.7310   0.9554 0.000000 0.000000 
1 1 1   40    0   10 o   7.1250   0.7067   7.1250   0.7067   7.1250   0.7067 0.000000 0.000000 
1 1 1   40    0   11 o   3.6830   1.2750   3.6830   1.2750   3.6830   1.2750 0.000000 0.000000 
1 1 1   40    0   12 o   9.1830   0.5063   9.1830   0.5063   9.1830   0.5063 0.000000 0.000000 
1 1 1   40    0   13 o   1.2920   0.9051   1.2920   0.9051   1.2920   0.9051 0.000000 0.000000 
1 1 1   40    0   14 o   1.1180   0.8032   1.1180   0.8032   1.1180   0.8032 0.000000 0.000000 
1 1 1   40    0   15 o   6.7250   1.4620   6.7250   1.4620   6.7250   1.4620 0.000000 0.000000 
1 1 1   40    0   16 o   2.0170   1.2260   2.0170   1.2260   2.0170   1.2260 0.000000 0.000000 
1 1 1   40    0   17 o   2.3040   1.3010   2.3040   1.3010   2.3040   1.3010 0.000000 0.000000 
1 1 1   40    0   18 o   2.7110   1.3820   2.7110   1.3820   2.7110   1.3820 0.000000 0.000000 
1 1 1   40    0   19 o   1.7250   1.1250   1.7250   1.1250   1.7250   1.1250 0.000000 0.000000 
1 1 1   40    0   20 o   4.8900   1.1710   4.8900   1.1710   4.8900   1.1710 0.000000 0.000000 
1 1 1   40    0   21 o   1.5560   1.0560   1.5560   1.0560   1.5560   1.0560 0.000000 0.000000 
1 1 1   40    0   22 o   2.1890   1.3630   2.1890   1.3630   2.1890   1.3630 0.000000 0.000000 
1 1 1   40    0   23 o   1.3190   0.9332   1.3190   0.9332   1.3190   0.9332 0.000000 0.000000 
1 1 1   40    0   24 o   2.1890   1.3160   2.1890   1.3160   2.1890   1.3160 0.000000 0.000000 
1 1 1   40    2    0 o   25.210   0.2765   25.100   0.3141   25.330   0.4552 -0.2258000 0.5531000 
1 1 1   40    2    1 o   19.490   0.3059   19.490   0.3059  ?   ?       ?      ? 
1 1 1   40    2    2 o   29.390   0.5268   29.390   0.5268  ?   ?       ?      ? 
1 1 1   40    2    3 o   5.0290   0.8680   4.9590   1.5100   5.0980   0.8566 -0.1389000 1.736000 
1 1 1   40    2    4 o   11.510   0.2818   11.040   0.4571   11.970   0.3297 -0.9310000 0.5636000 
1 1 1   40    2    5 o   10.690   0.2975   10.490   0.4722   10.890   0.3622 -0.4043000 0.5951000 
1 1 1   40    2    6 o   11.520   0.2928   11.330   0.4605   11.700   0.3616 -0.3764000 0.5855000 
1 1 1   40    2    7 f   8.7900   0.3295   8.5850   0.4750   8.9960   0.4567 -0.4102000 0.6590000 
1 1 1   40    2    8 o   12.840   0.2519   12.650   0.3592   13.030   0.3533 -0.3807000 0.5039000 
1 1 1   40    2    9 o   17.310   0.2222   17.350   0.3133   17.270   0.3152 0.7632000E-01 0.4444000 
1 1 1   40    2   10 o   4.2610   0.7292   5.6130   0.8880   2.9090   1.1570 2.704000 1.458000 
1 1 1   40    2   11 o   9.4900   0.3756   9.3240   0.4865   9.6550   0.5725 -0.3311000 0.7513000 
1 1 1   40    2   12 o   6.4150   0.4985   6.5450   0.6841   6.2850   0.7251 0.2601000 0.9969000 
1 1 1   40    2   13 o   1.7270   0.5888   1.7060   0.8237   1.7470   0.8415 -0.4076000E-01 1.178000 
1 1 1   40    2   14 o   7.1320   0.5978   6.0030   0.9655   8.2610   0.7052 -2.258000 1.196000 
1 1 1   40    2   15 o   3.4470   1.0260   3.6570   1.4940   3.2370   1.4080 0.4199000 2.053000 
1 1 1   40    2   16 o   3.5450   0.8054   3.1840   1.1420   3.9050   1.1360 -0.7214000 1.611000 
1 1 1   40    2   17 o   7.3630   0.4698   6.8450   0.7113   7.8810   0.6141 -1.036000 0.9397000 
1 1 1   40    2   18 f   4.1540   0.7901   4.2070   1.1210   4.1010   1.1140 0.1060000 1.580000 
1 1 1   40    2   19 o   2.6750   0.7661   3.0750   1.1450   2.2750   1.0180 0.8003000 1.532000 
1 1 1   40    2   20 o   3.3800   0.8238   3.3630   1.1620   3.3960   1.1680 -0.3311000E-01 1.648000 
1 1 1   40    2   21 o   3.8670   0.7167   2.4420   1.0590   5.2920   0.9663 -2.850000 1.433000 
1 1 1   40    2   22 o   2.6890   0.8123   3.1710   1.2470   2.2070   1.0410 0.9643000 1.625000 
1 1 1   40    2   23 o   2.4710   0.7745   3.1260   1.2730   1.8170   0.8826 1.309000 1.549000 
1 1 1   40    2   24 o   1.8870   0.6421   1.8200   0.8851   1.9540   0.9305 -0.1338000 1.284000 
1 1 1   40    4    0 o   30.070   0.2262   30.190   0.3535   29.960   0.2823 0.2306000 0.4523000 
1 1 1   40    4    1 o   18.870   0.2254   19.610   0.3147   18.140   0.3229 1.474000 0.4509000 
1 1 1   40    4    2 o   20.810   0.3567   20.820   0.5235   20.800   0.4847 0.1487000E-01 0.7134000 
1 1 1   40    4    3 o   16.210   0.3923   16.260   0.5761   16.160   0.5326 0.1031000 0.7845000 
1 1 1   40    4    4 o   18.480   0.3100   19.090   0.3479   17.870   0.5133 1.213000 0.6201000 
1 1 1   40    4    5 o   3.9700   0.6377   4.2450   0.8378   3.6940   0.9617 0.5519000 1.275000 
1 1 1   40    4    6 o   13.530   0.2288   13.640   0.3179   13.410   0.3292 0.2353000 0.4576000 
1 1 1   40    4    7 o   14.990   0.2250   14.810   0.3172   15.170   0.3191 -0.3601000 0.4499000 
1 1 1   40    4    8 o   4.6500   0.6258   3.4150   1.0440   5.8850   0.6898 -2.470000 1.252000 
1 1 1   40    4    9 o   8.0870   0.3971   7.6610   0.6116   8.5140   0.5067 -0.8534000 0.7943000 
1 1 1   40    4   10 o   3.8990   0.7933   2.9730   1.1660   4.8250   1.0760 -1.852000 1.587000 
1 1 1   40    4   11 o   6.3450   0.5516   6.8140   0.7937   5.8760   0.7661 0.9375000 1.103000 
1 1 1   40    4   12 o   6.0450   0.4853   5.6890   0.6606   6.4010   0.7111 -0.7124000 0.9706000 
1 1 1   40    4   13 o   2.5130   0.7200   2.1780   0.9338   2.8470   1.0960 -0.6692000 1.440000 
1 1 1   40    4   14 o   3.8390   0.7913   2.5970   1.1290   5.0800   1.1090 -2.483000 1.583000 
1 1 1   40    4   15 o   3.6050   0.8676   4.4620   1.2800   2.7480   1.1720 1.714000 1.735000 
1 1 1   40    4   16 o   3.1710   0.7985   3.5290   1.1420   2.8140   1.1170 0.7155000 1.597000 
1 1 1   40    4   17 o   2.7420   0.7794   2.6830   1.0990   2.8010   1.1060 -0.1176000 1.559000 
1 1 1   40    4   18 o   2.1590   0.6971   2.1780   0.9912   2.1390   0.9806 0.3926000E-01 1.394000 
1 1 1   40    4   19 o   5.3170   0.6828   6.0590   0.8299   4.5740   1.0840 1.485000 1.366000 
1 1 1   40    4   20 o   2.3730   0.7371   2.3410   1.0340   2.4060   1.0510 -0.6492000E-01 1.474000 
1 1 1   40    4   21 o   3.1790   0.7715   4.0820   1.1520   2.2750   1.0260 1.807000 1.543000 
1 1 1   40    4   22 o   3.2280   0.8593   3.9310   1.2870   2.5240   1.1390 1.408000 1.719000 
1 1 1   40    4   23 o   1.9260   0.6501   2.0050   0.9472   1.8470   0.8907 0.1573000 1.300000 
1 1 1   40    4   24 o   1.7920   0.6164   1.8380   0.8893   1.7460   0.8537 0.9202000E-01 1.233000 
1 1 1   40    6    0 o   23.780   0.1703   23.530   0.2521   24.030   0.2291 -0.4924000 0.3406000 
1 1 1   40    6    1 o   22.740   0.1821   22.840   0.2565   22.640   0.2584 0.2025000 0.3641000 
1 1 1   40    6    2 o   7.9210   0.3679   8.0320   0.5113   7.8110   0.5293 0.2211000 0.7359000 
1 1 1   40    6    3 o   13.370   0.2108   13.410   0.2933   13.330   0.3028 0.8687000E-01 0.4216000 
1 1 1   40    6    4 o   11.590   0.3916   11.660   0.3370   11.510   0.7071 0.1525000 0.7833000 
1 1 1   40    6    5 o   6.8940   0.7066   7.8410   0.4701   5.9480   1.3330 1.893000 1.413000 
1 1 1   40    6    6 o   16.140   0.3313   16.080   0.2997   16.200   0.5910 -0.1188000 0.6627000 
1 1 1   40    6    7 o   13.810   0.2777   14.470   0.3293   13.150   0.4473 1.315000 0.5554000 
1 1 1   40    6    8 o   5.2180   0.6102   5.6930   0.8100   4.7430   0.9128 0.9502000 1.220000 
1 1 1   40    6    9 o   4.8170   0.6370   4.2810   0.9903   5.3540   0.8016 -1.074000 1.274000 
1 1 1   40    6   10 o   2.8810   0.8297   2.7480   1.1610   3.0130   1.1860 -0.2657000 1.659000 
1 1 1   40    6   11 o   8.3260   0.3828   7.8850   0.5708   8.7670   0.5101 -0.8826000 0.7656000 
1 1 1   40    6   12 o   2.1550   0.6813   2.0940   0.9469   2.2160   0.9797 -0.1224000 1.363000 
1 1 1   40    6   13 o   2.5810   0.7539   1.9410   0.9044   3.2200   1.2060 -1.278000 1.508000 
1 1 1   40    6   14 o   2.3650   0.7183   2.0520   0.9419   2.6780   1.0850 -0.6259000 1.437000 
1 1 1   40    6   15 o   3.9830   0.9029   4.0280   1.2800   3.9380   1.2740 0.9038000E-01 1.806000 
1 1 1   40    6   16 o   2.7270   0.7718   2.9120   1.1140   2.5420   1.0690 0.3707000 1.544000 
1 1 1   40    6   17 o   2.9090   0.7705   2.6060   1.0320   3.2110   1.1450 -0.6047000 1.541000 
1 1 1   40    6   18 o   2.5560   0.7374   2.0420   0.9213   3.0700   1.1520 -1.028000 1.475000 
1 1 1   40    6   19 o   3.2500   0.7865   2.7940   1.0590   3.7070   1.1630 -0.9130000 1.573000 
1 1 1   40    6   20 o   1.9590   0.6467   2.0160   0.9223   1.9010   0.9068 0.1147000 1.293000 
1 1 1   40    6   21 o   2.8930   0.7899   2.3780   1.0390   3.4070   1.1910 -1.029000 1.580000 
1 1 1   40    6   22 o   3.0110   0.8539   3.2350   1.1960   2.7860   1.2190 0.4488000 1.708000 
1 1 1   40    6   23 o   2.1930   0.7000   1.7690   0.8522   2.6160   1.1110 -0.8462000 1.400000 
1 1 1   40    6   24 o   1.7100   0.5911   1.7340   0.8400   1.6870   0.8319 0.4697000E-01 1.182000 
1 1 1   40    8    0 o   14.370   0.2112   14.900   0.3393   13.830   0.2515 1.070000 0.4224000 
1 1 1   40    8    1 o   32.050   0.2506   32.420   0.3880   31.680   0.3173 0.7462000 0.5012000 
1 1 1   40    8    2 o   15.970   0.1965   16.140   0.2735   15.810   0.2823 0.3270000 0.3931000 
1 1 1   40    8    3 o   20.410   0.1936   20.310   0.2744   20.500   0.2731 -0.1949000 0.3872000 
1 1 1   40    8    4 o   13.480   0.2223   13.640   0.3127   13.330   0.3161 0.3072000 0.4446000 
1 1 1   40    8    5 o   5.7840   0.4578   5.4050   0.6802   6.1630   0.6130 -0.7576000 0.9156000 
1 1 1   40    8    6 o   9.4550   0.3264   9.9120   0.4560   8.9980   0.4672 0.9135000 0.6528000 
1 1 1   40    8    7 f   6.4720   0.7870   7.8940   0.5241   5.0500   1.4840 2.844000 1.574000 
1 1 1   40    8    8 o   4.7700   0.8561   5.1950   0.8254   4.3450   1.5000 0.8496000 1.712000 
1 1 1   40    8    9 o   5.8510   0.8858   6.4310   0.8927   5.2700   1.5300 1.161000 1.772000 
1 1 1   40    8   10 o   8.7490   0.5932   8.2780   0.6997   9.2190   0.9582 -0.9409000 1.186000 
1 1 1   40    8   11 o   4.2610   0.7257   4.2420   1.0210   4.2790   1.0320 -0.3688000E-01 1.451000 
1 1 1   40    8   12 o   3.4980   0.7864   2.6460   1.0710   4.3500   1.1520 -1.705000 1.573000 
1 1 1   40    8   13 o   1.6980   0.5837   1.6880   0.8244   1.7090   0.8266 -0.2095000E-01 1.167000 
1 1 1   40    8   14 o   8.5360   0.5140   8.3830   0.7830   8.6890   0.6662 -0.3063000 1.028000 
1 1 1   40    8   15 o   6.3200   0.5434   6.0450   0.8163   6.5950   0.7175 -0.5507000 1.087000 
1 1 1   40    8   16 o   2.4350   0.7340   2.8730   1.1330   1.9970   0.9334 0.8763000 1.468000 
1 1 1   40    8   17 o   2.9180   0.7941   2.5940   1.0920   3.2430   1.1530 -0.6491000 1.588000 
1 1 1   40    8   18 o   2.0930   0.6773   2.4690   1.0640   1.7160   0.8385 0.7533000 1.355000 
1 1 1   40    8   19 o   3.9320   0.8031   3.4920   1.1680   4.3720   1.1030 -0.8804000 1.606000 
1 1 1   40    8   20 o   2.8760   0.7998   2.3840   1.0800   3.3680   1.1800 -0.9836000 1.600000 
1 1 1   40    8   21 o   3.1030   0.7749   3.6940   1.1080   2.5130   1.0840 1.180000 1.550000 
1 1 1   40    8   22 o   1.9860   0.6734   2.1240   0.9887   1.8480   0.9146 0.2762000 1.347000 
1 1 1   40    8   23 o   2.0520   0.6768   2.0160   0.9401   2.0880   0.9740 -0.7191000E-01 1.354000 
1 1 1   40   10    0 o   16.430   0.1828   16.280   0.2712   16.590   0.2453 -0.3029000 0.3657000 
1 1 1   40   10    1 o   18.080   0.1865   17.860   0.2747   18.290   0.2522 -0.4284000 0.3729000 
1 1 1   40   10    2 o   8.9650   0.2749   9.0000   0.4050   8.9290   0.3719 0.7135000E-01 0.5498000 
1 1 1   40   10    3 o   4.5230   0.6094   3.3330   1.0350   5.7120   0.6432 -2.379000 1.219000 
1 1 1   40   10    4 o   11.370   0.2749   11.520   0.3895   11.210   0.3880 0.3138000 0.5498000 
1 1 1   40   10    5 o   10.490   0.2818   9.8920   0.4131   11.080   0.3835 -1.187000 0.5637000 
1 1 1   40   10    6 o   6.6200   0.4300   6.8880   0.5848   6.3530   0.6306 0.5347000 0.8600000 
1 1 1   40   10    7 o   3.0090   0.7003   2.1690   0.9504   3.8490   1.0290 -1.679000 1.401000 
1 1 1   40   10    8 o   12.640   0.3194   12.520   0.4040   12.770   0.4949 -0.2510000 0.6389000 
1 1 1   40   10    9 o   12.400   0.3653   12.070   0.5199   12.730   0.5132 -0.6566000 0.7305000 
1 1 1   40   10   10 o   3.0600   1.0900   3.0600   1.0900  ?   ?       ?      ? 
1 1 1   40   10   11 o   6.3690   0.6959   6.3690   0.6959  ?   ?       ?      ? 
1 1 1   40   10   12 o   5.0600   0.9107   5.1500   0.8832   4.9690   1.5930 0.1814000 1.821000 
1 1 1   40   10   13 o   3.8910   1.0060   3.2440   1.2550   4.5380   1.5730 -1.294000 2.012000 
1 1 1   40   10   14 o   7.5460   0.5133   7.8240   0.6205   7.2680   0.8177 0.5558000 1.027000 
1 1 1   40   10   15 o   2.6380   0.7327   3.4180   1.1670   1.8590   0.8864 1.559000 1.465000 
1 1 1   40   10   16 o   2.4300   0.7455   2.5720   1.0910   2.2880   1.0160 0.2832000 1.491000 
1 1 1   40   10   17 o   4.9580   0.7247   3.7180   1.2050   6.1990   0.8050 -2.481000 1.449000 
1 1 1   40   10   18 o   6.7760   0.5454   6.8500   0.7881   6.7010   0.7542 0.1486000 1.091000 
1 1 1   40   10   19 o   2.2390   0.7265   2.1860   1.0250   2.2910   1.0300 -0.1057000 1.453000 
1 1 1   40   10   20 o   2.8780   0.7749   3.7010   1.2150   2.0550   0.9618 1.646000 1.550000 
1 1 1   40   10   21 o   2.5040   0.8132   2.3660   1.1190   2.6420   1.1810 -0.2755000 1.626000 
1 1 1   40   10   22 o   1.8240   0.6292   1.8550   0.9032   1.7930   0.8762 0.6246000E-01 1.258000 
1 1 1   40   12    0 o   8.7250   0.3203   8.3990   0.4738   9.0520   0.4310 -0.6531000 0.6405000 
1 1 1   40   12    1 o   20.640   0.2158   20.170   0.3218   21.100   0.2876 -0.9254000 0.4316000 
1 1 1   40   12    2 o   12.960   0.2326   12.740   0.3408   13.190   0.3167 -0.4537000 0.4653000 
1 1 1   40   12    3 o   11.370   0.2561   11.730   0.3628   11.000   0.3617 0.7364000 0.5123000 
1 1 1   40   12    4 o   7.9070   0.3599   8.2120   0.4768   7.6030   0.5392 0.6096000 0.7198000 
1 1 1   40   12    5 o   13.950   0.2496   14.240   0.3430   13.670   0.3628 0.5710000 0.4993000 
1 1 1   40   12    6 o   8.7350   0.3488   8.3950   0.5056   9.0740   0.4805 -0.6793000 0.6975000 
1 1 1   40   12    7 o   6.7350   0.5922   6.7480   0.8151   6.7220   0.8594 0.2555000E-01 1.184000 
1 1 1   40   12    8 o   8.2270   0.4120   8.3720   0.5431   8.0820   0.6196 0.2890000 0.8239000 
1 1 1   40   12    9 o   4.5650   0.7193   3.9990   1.0570   5.1310   0.9761 -1.132000 1.439000 
1 1 1   40   12   10 o   8.5380   0.3809   8.3690   0.5462   8.7060   0.5311 -0.3366000 0.7618000 
1 1 1   40   12   11 o   7.0700   0.4519   6.9380   0.6488   7.2030   0.6294 -0.2647000 0.9039000 
1 1 1   40   12   12 o   3.9370   0.8737   4.5080   1.2440   3.3650   1.2270 1.143000 1.747000 
1 1 1   40   12   13 o   2.4820   0.7270   2.9420   1.1100   2.0230   0.9387 0.9186000 1.454000 
1 1 1   40   12   14 o   3.6820   0.9576   3.5970   1.1480   3.7660   1.5330 -0.1689000 1.915000 
1 1 1   40   12   15 o   2.9030   0.8675   3.0210   1.1510   2.7840   1.2980 0.2366000 1.735000 
1 1 1   40   12   16 o   3.1800   0.9302   1.9310   0.9137   4.4290   1.6210 -2.498000 1.860000 
1 1 1   40   12   17 o   3.8450   0.9801   3.7010   1.1510   3.9890   1.5870 -0.2880000 1.960000 
1 1 1   40   12   18 o   3.0650   0.8567   3.2990   1.2210   2.8310   1.2020 0.4682000 1.713000 
1 1 1   40   12   19 o   2.3530   0.7299   2.6250   1.0910   2.0800   0.9697 0.5448000 1.460000 
1 1 1   40   12   20 o   2.9540   0.8834   3.1320   1.2750   2.7770   1.2230 0.3550000 1.767000 
1 1 1   40   12   21 o   2.1940   0.7172   2.0350   0.9657   2.3540   1.0610 -0.3192000 1.434000 
1 1 1   40   14    0 o   13.530   0.2214   13.650   0.3254   13.410   0.3004 0.2423000 0.4429000 
1 1 1   40   14    1 o   11.880   0.2430   11.620   0.3648   12.140   0.3211 -0.5289000 0.4860000 
1 1 1   40   14    2 f   6.8260   0.3797   6.9890   0.5473   6.6620   0.5264 0.3272000 0.7594000 
1 1 1   40   14    3 o   7.2380   0.3862   6.8260   0.5996   7.6500   0.4869 -0.8239000 0.7724000 
1 1 1   40   14    4 o   21.600   0.2094   21.610   0.3107   21.580   0.2807 0.3337000E-01 0.4187000 
1 1 1   40   14    5 o   7.1200   0.5874   7.6210   0.7345   6.6180   0.9168 1.002000 1.175000 
1 1 1   40   14    6 o   7.9680   0.5916   7.6820   0.7386   8.2550   0.9244 -0.5735000 1.183000 
1 1 1   40   14    7 f   5.4110   0.5934   4.8760   0.9137   5.9470   0.7575 -1.071000 1.187000 
1 1 1   40   14    8 o   13.000   0.2794   12.360   0.4087   13.650   0.3809 -1.289000 0.5587000 
1 1 1   40   14    9 o   8.8620   0.3719   8.5450   0.5470   9.1800   0.5040 -0.6352000 0.7438000 
1 1 1   40   14   10 o   3.0020   0.7477   3.6960   1.1110   2.3080   1.0010 1.387000 1.495000 
1 1 1   40   14   11 o   4.0900   0.8698   3.6150   1.2820   4.5640   1.1760 -0.9489000 1.740000 
1 1 1   40   14   12 o   2.4090   0.7003   3.1040   1.1290   1.7130   0.8295 1.391000 1.401000 
1 1 1   40   14   13 o   4.8300   0.7034   4.7490   1.0260   4.9110   0.9631 -0.1621000 1.407000 
1 1 1   40   14   14 o   3.4680   0.8067   3.0900   1.1500   3.8460   1.1320 -0.7564000 1.613000 
1 1 1   40   14   15 o   4.2660   0.7632   3.5880   1.1580   4.9450   0.9944 -1.358000 1.526000 
1 1 1   40   14   16 o   4.2370   0.8093   3.7330   1.2270   4.7400   1.0560 -1.007000 1.619000 
1 1 1   40   14   17 o   2.4420   0.7611   2.4560   1.0950   2.4290   1.0570 0.2662000E-01 1.522000 
1 1 1   40   14   18 o   2.3550   0.7679   2.0750   0.9652   2.6350   1.1950 -0.5593000 1.536000 
1 1 1   40   14   19 o   3.1610   0.8995   3.8440   1.3300   2.4770   1.2120 1.367000 1.799000 
1 1 1   40   14   20 o   2.4730   1.1490   2.4730   1.1490  ?   ?       ?      ? 
1 1 1   40   16    0 o   3.0910   0.6734   2.2380   0.9539   3.9430   0.9509 -1.705000 1.347000 
1 1 1   40   16    1 o   9.8650   0.3041   9.7900   0.4427   9.9400   0.4171 -0.1491000 0.6082000 
1 1 1   40   16    2 o   8.8850   0.3921   9.0850   0.4813   8.6850   0.6192 0.4000000 0.7842000 
1 1 1   40   16    3 o   8.9940   0.4137   8.4550   0.6435   9.5320   0.5202 -1.077000 0.8274000 
1 1 1   40   16    4 o   3.6620   0.6579   2.5690   1.0350   4.7560   0.8123 -2.187000 1.316000 
1 1 1   40   16    5 o   5.3080   0.5657   5.5400   0.7760   5.0760   0.8233 0.4632000 1.131000 
1 1 1   40   16    6 o   8.4100   0.3687   8.3370   0.5374   8.4840   0.5050 -0.1474000 0.7374000 
1 1 1   40   16    7 o   8.7630   0.3915   8.2390   0.5698   9.2870   0.5370 -1.048000 0.7830000 
1 1 1   40   16    8 o   8.1190   0.4140   8.1820   0.5735   8.0560   0.5971 0.1267000 0.8279000 
1 1 1   40   16    9 o   4.0950   0.8906   3.6490   1.3030   4.5410   1.2140 -0.8921000 1.781000 
1 1 1   40   16   10 o   3.6030   0.8940   3.9760   1.3110   3.2300   1.2150 0.7456000 1.788000 
1 1 1   40   16   11 o   5.7610   0.5894   5.7030   0.8548   5.8190   0.8118 -0.1165000 1.179000 
1 1 1   40   16   12 f   2.7090   0.7741   2.6110   1.0820   2.8060   1.1070 -0.1953000 1.548000 
1 1 1   40   16   13 o   2.2770   0.7167   2.3290   1.0230   2.2240   1.0040 0.1053000 1.433000 
1 1 1   40   16   14 o   2.2320   0.7136   2.0180   0.9621   2.4450   1.0540 -0.4272000 1.427000 
1 1 1   40   16   15 o   3.5560   0.8406   3.1940   1.2340   3.9180   1.1420 -0.7245000 1.681000 
1 1 1   40   16   16 o   1.8830   0.6374   2.0240   0.9522   1.7420   0.8476 0.2822000 1.275000 
1 1 1   40   16   17 o   2.1400   0.6960   2.3000   1.0280   1.9790   0.9382 0.3203000 1.392000 
1 1 1   40   16   18 o   2.6300   0.8469   2.9650   1.2610   2.2950   1.1310 0.6704000 1.694000 
1 1 1   40   16   19 o   1.6800   0.5934   1.6820   0.8354   1.6790   0.8429 0.2949000E-02 1.187000 
1 1 1   40   18    0 o   2.5740   0.7429   3.0970   1.1810   2.0510   0.9011 1.045000 1.486000 
1 1 1   40   18    1 o   3.6050   0.6946   4.4440   0.9616   2.7660   1.0030 1.677000 1.389000 
1 1 1   40   18    2 o   7.1100   0.4123   7.3090   0.6040   6.9100   0.5612 0.3989000 0.8245000 
1 1 1   40   18    3 o   2.1760   0.6705   2.1300   0.9512   2.2220   0.9453 -0.9141000E-01 1.341000 
1 1 1   40   18    4 o   2.2510   0.6823   2.4240   1.0140   2.0780   0.9131 0.3458000 1.365000 
1 1 1   40   18    5 o   9.4410   0.3320   10.050   0.4725   8.8350   0.4665 1.212000 0.6640000 
1 1 1   40   18    6 o   4.8400   0.6527   3.8300   1.0950   5.8500   0.7102 -2.020000 1.305000 
1 1 1   40   18    7 o   2.5810   0.7889   3.0820   1.2470   2.0810   0.9666 1.001000 1.578000 
1 1 1   40   18    8 o   2.1740   0.6902   2.3260   1.0230   2.0220   0.9271 0.3037000 1.380000 
1 1 1   40   18    9 o   4.5460   0.7558   5.0480   0.9672   4.0440   1.1620 1.004000 1.512000 
1 1 1   40   18   10 o   5.4550   0.6519   6.0940   0.8183   4.8160   1.0150 1.278000 1.304000 
1 1 1   40   18   11 o   3.0180   0.8014   3.3010   1.1680   2.7350   1.0980 0.5658000 1.603000 
1 1 1   40   18   12 o   6.6520   0.5647   6.6980   0.8569   6.6060   0.7357 0.9197000E-01 1.129000 
1 1 1   40   18   13 o   2.8990   0.7994   2.4270   1.0910   3.3700   1.1690 -0.9433000 1.599000 
1 1 1   40   18   14 o   1.9040   0.6394   1.6140   0.8003   2.1950   0.9973 -0.5814000 1.279000 
1 1 1   40   18   15 o   2.7770   0.7957   2.9800   1.1550   2.5730   1.0950 0.4071000 1.591000 
1 1 1   40   18   16 o   3.0250   0.8400   2.6300   1.1100   3.4200   1.2610 -0.7897000 1.680000 
1 1 1   40   18   17 o   1.9030   0.6831   1.4810   0.7550   2.3260   1.1390 -0.8448000 1.366000 
1 1 1   40   20    0 o   6.3670   0.4590   6.6760   0.6598   6.0580   0.6383 0.6187000 0.9180000 
1 1 1   40   20    1 o   7.3260   0.4112   7.5030   0.6032   7.1490   0.5589 0.3539000 0.8223000 
1 1 1   40   20    2 o   3.0200   0.7373   2.5450   1.0490   3.4950   1.0360 -0.9498000 1.475000 
1 1 1   40   20    3 o   4.7030   0.6578   4.2430   1.0530   5.1630   0.7887 -0.9199000 1.316000 
1 1 1   40   20    4 o   7.2190   0.5600   7.1460   0.8826   7.2920   0.6896 -0.1455000 1.120000 
1 1 1   40   20    5 o   2.3800   0.7506   2.3200   1.0730   2.4390   1.0500 -0.1187000 1.501000 
1 1 1   40   20    6 o   3.9910   0.7207   3.2660   1.1320   4.7150   0.8925 -1.449000 1.441000 
1 1 1   40   20    7 o   2.6090   0.7425   3.0340   1.1310   2.1850   0.9618 0.8488000 1.485000 
1 1 1   40   20    8 o   2.8770   0.7783   3.0210   1.1320   2.7330   1.0680 0.2873000 1.557000 
1 1 1   40   20    9 o   2.3860   0.7462   2.7770   1.1560   1.9940   0.9442 0.7827000 1.492000 
1 1 1   40   20   10 o   3.4140   0.8283   4.2130   1.2350   2.6150   1.1050 1.599000 1.657000 
1 1 1   40   20   11 o   3.0850   0.8223   3.4080   1.1850   2.7610   1.1410 0.6472000 1.645000 
1 1 1   40   20   12 o   2.3800   0.7406   2.1650   0.9914   2.5940   1.1000 -0.4294000 1.481000 
1 1 1   40   20   13 o   3.4070   0.8206   3.9460   1.1770   2.8680   1.1440 1.077000 1.641000 
1 1 1   40   20   14 o   4.3540   0.8142   3.3500   1.1910   5.3570   1.1110 -2.007000 1.628000 
1 1 1   40   20   15 o   2.3020   1.1460   2.3020   1.1460  ?   ?       ?      ? 
1 1 1   40   22    0 o   2.2380   0.7207   2.2290   1.0370   2.2470   1.0010 -0.1888000E-01 1.441000 
1 1 1   40   22    1 o   6.8750   0.5635   7.1470   0.8441   6.6030   0.7467 0.5445000 1.127000 
1 1 1   40   22    2 o   5.3380   0.5903   5.4470   0.8729   5.2280   0.7949 0.2195000 1.181000 
1 1 1   40   22    3 o   3.5070   0.7094   4.7310   1.0250   2.2830   0.9810 2.447000 1.419000 
1 1 1   40   22    4 o   1.9270   0.6467   2.0990   0.9860   1.7560   0.8370 0.3433000 1.293000 
1 1 1   40   22    5 o   2.7820   0.7974   2.7210   1.1460   2.8430   1.1090 -0.1215000 1.595000 
1 1 1   40   22    6 o   2.2060   0.7092   2.4520   1.0800   1.9590   0.9193 0.4939000 1.418000 
1 1 1   40   22    7 o   3.0120   0.7677   2.5950   1.0860   3.4290   1.0850 -0.8344000 1.535000 
1 1 1   40   22    8 o   1.9950   0.6553   2.0050   0.9386   1.9850   0.9147 0.1969000E-01 1.311000 
1 1 1   40   22    9 o   2.0860   0.6796   2.1080   0.9765   2.0640   0.9454 0.4339000E-01 1.359000 
1 1 1   40   22   10 o   2.6100   0.7102   1.7180   0.8419   3.5020   1.1440 -1.784000 1.420000 
1 1 1   40   22   11 o   2.2300   0.6936   1.6860   0.8288   2.7750   1.1120 -1.089000 1.387000 
1 1 1   40   22   12 o   2.2080   0.7310   2.0310   0.9626   2.3840   1.1000 -0.3528000 1.462000 
1 1 1   40   24    0 o   2.1460   0.6830   2.1850   0.9871   2.1080   0.9442 0.7671000E-01 1.366000 
1 1 1   40   24    1 o   2.8240   0.7378   3.5530   1.1410   2.0950   0.9359 1.457000 1.476000 
1 1 1   40   24    2 o   1.7980   0.6082   2.1080   0.9684   1.4890   0.7360 0.6188000 1.216000 
1 1 1   40   24    3 o   2.3020   0.7018   2.8500   1.1260   1.7530   0.8377 1.098000 1.404000 
1 1 1   40   24    4 f   2.9160   0.6816   1.8410   0.8841   3.9910   1.0380 -2.150000 1.363000 
1 1 1   40   24    5 o   2.7750   0.7717   2.5660   1.0830   2.9830   1.0990 -0.4168000 1.543000 
1 1 1   40   24    6 o   2.0730   0.6711   2.3420   1.0310   1.8040   0.8591 0.5378000 1.342000 
1 1 1   40   24    7 o   2.1050   0.6754   2.5110   1.0710   1.6990   0.8235 0.8120000 1.351000 
1 1 1   40   24    8 o   2.1540   0.7031   2.3140   1.0360   1.9940   0.9507 0.3205000 1.406000 
1 1 1   40   26    0 o   3.8000   0.7487   3.0620   1.1610   4.5390   0.9455 -1.478000 1.497000 
1 1 1   40   26    1 o   4.3590   0.9210   4.5770   1.2960   4.1400   1.3090 0.4369000 1.842000 
1 1 1   41    1    0 o   25.800   0.2548   26.470   0.4409   25.140   0.2554 1.329000 0.5095000 
1 1 1   41    1    1 o   7.2130   0.6989   7.2130   0.6989  ?   ?       ?      ? 
1 1 1   41    1    2 o   7.9970   0.9789   7.9970   0.9789  ?   ?       ?      ? 
1 1 1   41    1    3 o   17.900   0.2688   17.880   0.2678   17.920   0.4661 -0.3984000E-01 0.5376000 
1 1 1   41    1    4 f   17.690   0.1954   17.970   0.2749   17.410   0.2776 0.5607000 0.3907000 
1 1 1   41    1    5 o   2.7730   0.7104   2.7580   1.0090   2.7880   0.9998 -0.2998000E-01 1.421000 
1 1 1   41    1    6 o   10.230   0.2840   10.570   0.3962   9.8990   0.4069 0.6659000 0.5679000 
1 1 1   41    1    7 o   7.6360   0.3771   7.1340   0.5658   8.1380   0.4988 -1.005000 0.7543000 
1 1 1   41    1    8 o   6.0510   0.4802   6.0720   0.6726   6.0290   0.6856 0.4348000E-01 0.9605000 
1 1 1   41    1    9 o   10.670   0.2989   10.410   0.4281   10.930   0.4173 -0.5212000 0.5979000 
1 1 1   41    1   10 o   3.2530   0.8227   3.6060   1.1730   2.9000   1.1540 0.7060000 1.645000 
1 1 1   41    1   11 o   5.5730   0.5712   5.0300   0.8862   6.1150   0.7209 -1.085000 1.142000 
1 1 1   41    1   12 f   2.4590   0.7272   2.2750   0.9942   2.6420   1.0620 -0.3672000 1.454000 
1 1 1   41    1   13 o   2.3590   0.7160   2.1990   0.9801   2.5180   1.0440 -0.3188000 1.432000 
1 1 1   41    1   14 o   10.600   0.3393   10.870   0.4680   10.330   0.4913 0.5434000 0.6786000 
1 1 1   41    1   15 o   4.0900   1.0840   4.4580   1.5760   3.7230   1.4880 0.7348000 2.168000 
1 1 1   41    1   16 o   3.9850   0.7897   3.6800   1.1430   4.2900   1.0890 -0.6102000 1.579000 
1 1 1   41    1   17 f   3.4600   0.8079   3.3680   1.1440   3.5520   1.1410 -0.1836000 1.616000 
1 1 1   41    1   18 o   2.5700   0.7461   2.0290   0.9465   3.1110   1.1540 -1.083000 1.492000 
1 1 1   41    1   19 o   6.1590   0.5978   5.7870   0.8958   6.5310   0.7918 -0.7441000 1.196000 
1 1 1   41    1   20 f   2.8990   0.8049   2.9210   1.1390   2.8760   1.1380 0.4561000E-01 1.610000 
1 1 1   41    1   21 o   3.0440   0.7908   2.3900   1.0560   3.6980   1.1770 -1.307000 1.582000 
1 1 1   41    1   22 o   2.4280   0.7671   1.8440   0.9061   3.0120   1.2380 -1.168000 1.534000 
1 1 1   41    1   23 o   2.0130   0.6700   1.8730   0.9018   2.1520   0.9912 -0.2791000 1.340000 
1 1 1   41    1   24 o   2.1210   0.6955   2.3200   1.0450   1.9210   0.9183 0.3990000 1.391000 
1 1 1   41    3    0 o   21.210   0.2849  ?   ?    21.210   0.2849      ?      ? 
1 1 1   41    3    1 o   20.190   0.1993   20.110   0.3108   20.270   0.2497 -0.1611000 0.3987000 
1 1 1   41    3    2 o   19.720   0.3032   19.310   0.5137   20.130   0.3222 -0.8240000 0.6064000 
1 1 1   41    3    3 o   24.200   0.2986   23.980   0.3422   24.430   0.4894 -0.4473000 0.5972000 
1 1 1   41    3    4 o   11.010   0.4066   11.190   0.4559   10.840   0.6735 0.3463000 0.8133000 
1 1 1   41    3    5 o   21.430   0.3090   21.270   0.3632   21.590   0.5001 -0.3188000 0.6181000 
1 1 1   41    3    6 o   2.6760   0.7719   2.2580   1.0200   3.0940   1.1590 -0.8358000 1.544000 
1 1 1   41    3    7 o   3.2360   0.7329   2.5660   1.0890   3.9060   0.9813 -1.340000 1.466000 
1 1 1   41    3    8 o   11.300   0.3534   10.390   0.5258   12.220   0.4724 -1.829000 0.7068000 
1 1 1   41    3    9 o   6.8090   0.4672   6.7180   0.7134   6.8990   0.6035 -0.1813000 0.9344000 
1 1 1   41    3   10 o   6.6570   0.5257   7.2700   0.6071   6.0450   0.8585 1.225000 1.051000 
1 1 1   41    3   11 o   6.1500   0.5103   6.2320   0.7105   6.0680   0.7328 0.1638000 1.021000 
1 1 1   41    3   12 o   11.430   0.3023   11.270   0.4345   11.590   0.4204 -0.3217000 0.6046000 
1 1 1   41    3   13 o   3.0890   0.7507   2.3800   1.0240   3.7980   1.0980 -1.419000 1.501000 
1 1 1   41    3   14 o   5.9340   0.6992   6.1530   0.9653   5.7150   1.0120 0.4372000 1.398000 
1 1 1   41    3   15 o   7.2100   0.6108   7.3310   0.8571   7.0890   0.8704 0.2420000 1.222000 
1 1 1   41    3   16 o   7.1200   0.4842   7.0280   0.6900   7.2110   0.6796 -0.1829000 0.9685000 
1 1 1   41    3   17 o   2.7480   0.7757   2.9730   1.1310   2.5230   1.0610 0.4498000 1.551000 
1 1 1   41    3   18 o   6.4510   0.5549   7.0980   0.7082   5.8040   0.8545 1.294000 1.110000 
1 1 1   41    3   19 o   3.0650   0.7857   2.4440   1.0590   3.6870   1.1620 -1.243000 1.571000 
1 1 1   41    3   20 f   2.3230   0.7198   2.7080   1.1110   1.9380   0.9159 0.7698000 1.440000 
1 1 1   41    3   21 o   2.1920   0.7067   2.2380   1.0130   2.1460   0.9853 0.9180000E-01 1.413000 
1 1 1   41    3   22 o   2.2170   0.7377   2.1140   1.0040   2.3210   1.0810 -0.2065000 1.475000 
1 1 1   41    3   23 o   4.3080   0.8169   4.0850   1.1720   4.5310   1.1380 -0.4462000 1.634000 
1 1 1   41    3   24 o   1.9660   0.6598   2.1180   0.9832   1.8130   0.8801 0.3053000 1.320000 
1 1 1   41    5    0 o   16.680   0.1702   16.670   0.2366   16.700   0.2446 -0.3509000E-01 0.3403000 
1 1 1   41    5    1 o   5.5700   0.3849   5.7280   0.5133   5.4120   0.5737 0.3159000 0.7698000 
1 1 1   41    5    2 o   6.3590   0.4533   6.6000   0.6039   6.1170   0.6761 0.4835000 0.9065000 
1 1 1   41    5    3 o   6.9280   0.3460   6.4120   0.5159   7.4450   0.4612 -1.033000 0.6920000 
1 1 1   41    5    4 o   6.9690   0.3567   7.4430   0.4622   6.4960   0.5435 0.9474000 0.7134000 
1 1 1   41    5    5 o   4.5740   0.5775   3.8170   0.9220   5.3300   0.6958 -1.513000 1.155000 
1 1 1   41    5    6 o   7.1620   0.6410   7.5930   0.4953   6.7320   1.1830 0.8610000 1.282000 
1 1 1   41    5    7 o   18.540   0.3144   18.730   0.2957   18.360   0.5550 0.3713000 0.6288000 
1 1 1   41    5    8 o   6.2560   0.7343   6.7060   0.6619   5.8060   1.3110 0.9000000 1.469000 
1 1 1   41    5    9 f   6.2360   0.5575   6.2040   0.6924   6.2690   0.8739 -0.6429000E-01 1.115000 
1 1 1   41    5   10 o   3.4630   0.8613   3.5330   1.2300   3.3930   1.2060 0.1407000 1.723000 
1 1 1   41    5   11 o   4.4120   0.6652   3.0950   1.0830   5.7280   0.7719 -2.634000 1.330000 
1 1 1   41    5   12 o   2.1330   0.6649   1.7010   0.8189   2.5650   1.0480 -0.8637000 1.330000 
1 1 1   41    5   13 o   3.0690   0.8044   2.5280   1.0420   3.6110   1.2250 -1.083000 1.609000 
1 1 1   41    5   14 o   5.5060   0.5861   6.0540   0.6566   4.9590   0.9709 1.095000 1.172000 
1 1 1   41    5   15 f   6.9810   0.5425   6.9180   0.6997   7.0440   0.8293 -0.1267000 1.085000 
1 1 1   41    5   16 o   3.0450   0.7472   3.5410   1.0410   2.5490   1.0720 0.9921000 1.494000 
1 1 1   41    5   17 o   5.2100   0.6344   5.5780   0.7505   4.8410   1.0230 0.7374000 1.269000 
1 1 1   41    5   18 o   2.5240   0.7437   2.2810   0.9836   2.7680   1.1160 -0.4871000 1.487000 
1 1 1   41    5   19 o   2.4780   0.7348   2.0820   0.9382   2.8750   1.1310 -0.7925000 1.470000 
1 1 1   41    5   20 o   2.2980   0.7108   2.3380   0.9950   2.2570   1.0150 0.8131000E-01 1.422000 
1 1 1   41    5   21 o   1.9160   0.6530   1.8420   0.9052   1.9890   0.9415 -0.1469000 1.306000 
1 1 1   41    5   22 o   2.0900   0.6916   2.3950   1.0610   1.7860   0.8879 0.6096000 1.383000 
1 1 1   41    5   23 o   2.9450   0.8208   2.6790   1.1230   3.2100   1.1970 -0.5316000 1.642000 
1 1 1   41    5   24 o   2.2060   0.7624   2.4800   1.1690   1.9310   0.9795 0.5493000 1.525000 
1 1 1   41    7    0 o   31.940   0.2009   31.930   0.3013   31.940   0.2657 -0.5295000E-02 0.4017000 
1 1 1   41    7    1 o   11.200   0.2832   10.760   0.4054   11.650   0.3955 -0.8946000 0.5664000 
1 1 1   41    7    2 o   2.3810   0.6483   2.0870   0.8792   2.6750   0.9529 -0.5879000 1.297000 
1 1 1   41    7    3 o   17.090   0.1946   17.180   0.2744   17.000   0.2759 0.1789000 0.3891000 
1 1 1   41    7    4 o   9.1010   0.2871   9.3450   0.3938   8.8580   0.4180 0.4870000 0.5743000 
1 1 1   41    7    5 o   11.890   0.2434   11.990   0.3362   11.800   0.3521 0.1859000 0.4869000 
1 1 1   41    7    6 o   6.3180   0.4382   6.4220   0.5983   6.2150   0.6404 0.2070000 0.8764000 
1 1 1   41    7    7 o   3.3780   0.7167   2.6030   1.0600   4.1530   0.9647 -1.550000 1.433000 
1 1 1   41    7    8 o   9.6780   0.3270   10.070   0.4477   9.2880   0.4767 0.7798000 0.6540000 
1 1 1   41    7    9 o   3.1360   0.8966   2.5220   1.0270   3.7510   1.4700 -1.229000 1.793000 
1 1 1   41    7   10 o   8.6460   0.5979   8.6420   0.6806   8.6500   0.9833 -0.8758000E-02 1.196000 
1 1 1   41    7   11 o   4.8630   0.8985   4.5720   0.9987   5.1540   1.4940 -0.5825000 1.797000 
1 1 1   41    7   12 o   3.4970   0.7637   4.5760   1.0020   2.4180   1.1530 2.158000 1.527000 
1 1 1   41    7   13 o   8.5600   0.4048   7.8550   0.6123   9.2660   0.5295 -1.410000 0.8096000 
1 1 1   41    7   14 o   5.4330   0.8009   4.6660   1.2800   6.2000   0.9636 -1.534000 1.602000 
1 1 1   41    7   15 o   5.5480   0.6395   6.5020   0.7308   4.5940   1.0500 1.908000 1.279000 
1 1 1   41    7   16 o   2.9920   0.7039   4.1570   1.1010   1.8280   0.8766 2.329000 1.408000 
1 1 1   41    7   17 o   3.6450   0.7616   4.6080   1.0540   2.6820   1.0990 1.926000 1.523000 
1 1 1   41    7   18 o   1.9990   0.6618   2.1870   0.9947   1.8120   0.8731 0.3747000 1.324000 
1 1 1   41    7   19 o   1.7480   0.5942   1.8270   0.8615   1.6680   0.8185 0.1585000 1.188000 
1 1 1   41    7   20 o   2.2330   0.7081   2.4480   1.0520   2.0180   0.9484 0.4299000 1.416000 
1 1 1   41    7   21 o   2.1890   0.7012   2.1510   0.9648   2.2280   1.0180 -0.7729000E-01 1.402000 
1 1 1   41    7   22 o   2.0840   0.7024   1.9680   0.9360   2.1990   1.0480 -0.2317000 1.405000 
1 1 1   41    7   23 o   1.7690   0.6100   1.6410   0.8060   1.8960   0.9157 -0.2547000 1.220000 
1 1 1   41    9    0 o   17.160   0.2186   16.970   0.3377   17.350   0.2778 -0.3811000 0.4373000 
1 1 1   41    9    1 o   6.7740   0.3274   6.9710   0.4711   6.5760   0.4548 0.3954000 0.6548000 
1 1 1   41    9    2 o   3.8650   0.6240   3.7900   0.8857   3.9400   0.8792 -0.1501000 1.248000 
1 1 1   41    9    3 o   5.1230   0.4922   4.9580   0.7141   5.2870   0.6775 -0.3294000 0.9844000 
1 1 1   41    9    4 o   3.8980   0.6668   4.1760   0.8972   3.6190   0.9866 0.5569000 1.334000 
1 1 1   41    9    5 o   9.8820   0.3007   10.360   0.4235   9.4060   0.4271 0.9526000 0.6015000 
1 1 1   41    9    6 o   8.6110   0.3922   8.9210   0.4491   8.3010   0.6432 0.6206000 0.7845000 
1 1 1   41    9    7 o   13.040   0.2512   13.270   0.3518   12.810   0.3588 0.4549000 0.5025000 
1 1 1   41    9    8 o   6.8680   0.4309   6.8300   0.6084   6.9060   0.6105 -0.7562000E-01 0.8619000 
1 1 1   41    9    9 f   3.3420   0.8173   2.5110   1.0970   4.1720   1.2120 -1.661000 1.635000 
1 1 1   41    9   10 o   5.7820   0.5426   5.8940   0.7409   5.6710   0.7930 0.2229000 1.085000 
1 1 1   41    9   11 o   8.8830   0.4032   8.4530   0.5439   9.3130   0.5954 -0.8596000 0.8064000 
1 1 1   41    9   12 o   3.6210   0.9610   3.0410   1.1190   4.2000   1.5630 -1.159000 1.922000 
1 1 1   41    9   13 o   3.9340   0.8684   4.6140   1.0250   3.2540   1.4020 1.360000 1.737000 
1 1 1   41    9   14 o   7.9370   0.6892   7.2130   0.8993   8.6610   1.0450 -1.449000 1.378000 
1 1 1   41    9   15 f   5.0300   0.9343   4.9690   1.0250   5.0910   1.5620 -0.1226000 1.869000 
1 1 1   41    9   16 o   6.3070   0.6455   6.4640   0.8105   6.1500   1.0050 0.3141000 1.291000 
1 1 1   41    9   17 o   5.1290   0.7178   4.8830   1.0850   5.3750   0.9407 -0.4914000 1.436000 
1 1 1   41    9   18 f   2.3600   0.7311   2.7640   1.1350   1.9560   0.9218 0.8074000 1.462000 
1 1 1   41    9   19 o   2.5520   0.7771   2.4160   1.0830   2.6890   1.1140 -0.2730000 1.554000 
1 1 1   41    9   20 o   2.7250   0.7967   2.3510   1.0750   3.0990   1.1770 -0.7480000 1.593000 
1 1 1   41    9   21 o   2.9720   0.9307   2.3300   1.0920   3.6130   1.5080 -1.283000 1.861000 
1 1 1   41    9   22 o   2.6740   0.7754   2.8960   1.1110   2.4520   1.0820 0.4441000 1.551000 
1 1 1   41   11    0 o   11.650   0.2290   11.470   0.3338   11.840   0.3136 -0.3779000 0.4580000 
1 1 1   41   11    1 f   5.7270   0.4563   5.6800   0.6755   5.7740   0.6138 -0.9398000E-01 0.9127000 
1 1 1   41   11    2 o   11.570   0.2596   11.200   0.3906   11.950   0.3422 -0.7535000 0.5193000 
1 1 1   41   11    3 o   5.9270   0.4559   6.0830   0.6177   5.7710   0.6708 0.3124000 0.9119000 
1 1 1   41   11    4 o   3.8780   0.6782   3.3110   1.0030   4.4440   0.9131 -1.132000 1.356000 
1 1 1   41   11    5 o   5.4050   0.5271   5.7510   0.6684   5.0590   0.8153 0.6922000 1.054000 
1 1 1   41   11    6 o   13.130   0.2537   13.040   0.3618   13.210   0.3556 -0.1650000 0.5073000 
1 1 1   41   11    7 o   2.9630   0.7473   3.1840   1.0730   2.7430   1.0410 0.4408000 1.495000 
1 1 1   41   11    8 o   7.6130   0.5543   8.3840   0.6884   6.8420   0.8689 1.542000 1.109000 
1 1 1   41   11    9 o   11.250   0.3262   10.830   0.4448   11.670   0.4774 -0.8411000 0.6525000 
1 1 1   41   11   10 o   2.0150   0.6526   2.1920   0.9725   1.8380   0.8706 0.3541000 1.305000 
1 1 1   41   11   11 o   7.7420   0.4170   7.4950   0.6088   7.9880   0.5698 -0.4930000 0.8339000 
1 1 1   41   11   12 o   9.0590   0.3711   9.5660   0.5052   8.5530   0.5438 1.012000 0.7423000 
1 1 1   41   11   13 o   3.1190   0.8674   3.3130   1.2630   2.9250   1.1900 0.3884000 1.735000 
1 1 1   41   11   14 o   4.2620   0.7086   3.1540   1.1180   5.3690   0.8710 -2.215000 1.417000 
1 1 1   41   11   15 o   5.9600   0.5927   6.2570   0.7875   5.6640   0.8859 0.5930000 1.185000 
1 1 1   41   11   16 o   2.8660   0.8917   2.5080   1.0720   3.2240   1.4250 -0.7155000 1.783000 
1 1 1   41   11   17 o   3.3080   0.9455   3.2040   1.1880   3.4120   1.4710 -0.2084000 1.891000 
1 1 1   41   11   18 o   3.2810   0.9703   2.7040   1.1610   3.8590   1.5550 -1.156000 1.941000 
1 1 1   41   11   19 o   3.2400   0.9705   2.9010   1.2040   3.5780   1.5220 -0.6777000 1.941000 
1 1 1   41   11   20 o   2.2380   1.0270   2.2380   1.0270  ?   ?       ?      ? 
1 1 1   41   11   21 o   2.0510   0.6997   2.0940   1.0210   2.0080   0.9573 0.8601000E-01 1.399000 
1 1 1   41   11   22 o   2.6720   1.3250   2.6720   1.3250  ?   ?       ?      ? 
1 1 1   41   13    0 o   6.8370   0.3552   7.1380   0.5124   6.5350   0.4919 0.6027000 0.7103000 
1 1 1   41   13    1 o   4.7440   0.5439   5.3450   0.6997   4.1430   0.8329 1.202000 1.088000 
1 1 1   41   13    2 o   12.890   0.2302   12.990   0.3375   12.780   0.3130 0.2154000 0.4603000 
1 1 1   41   13    3 o   8.5330   0.3234   8.4830   0.4646   8.5830   0.4501 -0.1006000 0.6469000 
1 1 1   41   13    4 o   8.3060   0.3385   9.0330   0.4561   7.5790   0.5002 1.454000 0.6769000 
1 1 1   41   13    5 o   4.8000   0.6162   4.5120   0.9123   5.0880   0.8285 -0.5763000 1.232000 
1 1 1   41   13    6 o   7.7610   0.5914   7.9700   0.6749   7.5520   0.9713 0.4184000 1.183000 
1 1 1   41   13    7 o   11.060   0.3690   11.130   0.5499   10.980   0.4922 0.1505000 0.7380000 
1 1 1   41   13    8 o   8.4520   0.3789   8.4820   0.5316   8.4230   0.5402 0.5965000E-01 0.7579000 
1 1 1   41   13    9 o   10.240   0.3261   10.070   0.4680   10.420   0.4542 -0.3431000 0.6522000 
1 1 1   41   13   10 o   5.9550   0.5510   6.8130   0.6706   5.0980   0.8745 1.716000 1.102000 
1 1 1   41   13   11 o   3.4140   0.7751   2.7610   1.0990   4.0670   1.0930 -1.306000 1.550000 
1 1 1   41   13   12 o   3.7810   0.8223   4.9430   1.1900   2.6180   1.1350 2.325000 1.645000 
1 1 1   41   13   13 o   2.1950   0.6961   2.0790   0.9542   2.3100   1.0140 -0.2303000 1.392000 
1 1 1   41   13   14 o   7.9230   0.4441   7.2900   0.6825   8.5560   0.5685 -1.266000 0.8883000 
1 1 1   41   13   15 o   2.3390   0.7078   1.7580   0.8530   2.9190   1.1300 -1.161000 1.416000 
1 1 1   41   13   16 o   4.5430   0.7533   3.9830   1.1400   5.1040   0.9852 -1.121000 1.507000 
1 1 1   41   13   17 o   4.0270   0.8207   4.9040   1.1490   3.1510   1.1720 1.753000 1.641000 
1 1 1   41   13   18 o   2.3080   0.7299   2.3900   1.0480   2.2260   1.0160 0.1643000 1.460000 
1 1 1   41   13   19 o   2.2450   0.7207   2.0600   0.9602   2.4310   1.0750 -0.3711000 1.441000 
1 1 1   41   13   20 o   1.9650   0.6813   1.7690   0.8815   2.1600   1.0390 -0.3914000 1.363000 
1 1 1   41   15    0 o   8.5630   0.3058   8.6610   0.4445   8.4650   0.4202 0.1966000 0.6116000 
1 1 1   41   15    1 o   2.2340   0.6576   2.4430   0.9784   2.0250   0.8789 0.4181000 1.315000 
1 1 1   41   15    2 o   8.4510   0.3309   8.0900   0.5124   8.8110   0.4190 -0.7213000 0.6619000 
1 1 1   41   15    3 o   5.3290   0.5644   4.3090   0.9437   6.3490   0.6193 -2.040000 1.129000 
1 1 1   41   15    4 o   15.350   0.3116   15.530   0.4261   15.180   0.4548 0.3514000 0.6232000 
1 1 1   41   15    5 o   12.170   0.3136   12.400   0.5004   11.950   0.3780 0.4498000 0.6271000 
1 1 1   41   15    6 o   2.9700   0.7541   3.0650   1.0860   2.8740   1.0460 0.1910000 1.508000 
1 1 1   41   15    7 o   2.5830   0.7399   2.6290   1.0500   2.5380   1.0430 0.9080000E-01 1.480000 
1 1 1   41   15    8 o   4.0590   0.7284   4.7830   0.9331   3.3360   1.1190 1.448000 1.457000 
1 1 1   41   15    9 o   6.1600   0.5376   5.7780   0.8049   6.5410   0.7127 -0.7628000 1.075000 
1 1 1   41   15   10 o   6.3820   0.6677   6.1140   1.0210   6.6500   0.8607 -0.5366000 1.335000 
1 1 1   41   15   11 o   2.1830   0.6953   2.2580   1.0090   2.1080   0.9569 0.1494000 1.391000 
1 1 1   41   15   12 o   2.7870   0.7499   2.1850   0.9861   3.3890   1.1300 -1.204000 1.500000 
1 1 1   41   15   13 o   5.3760   0.6507   5.3870   0.9253   5.3650   0.9152 0.2209000E-01 1.301000 
1 1 1   41   15   14 o   3.9420   0.7465   5.0160   0.9852   2.8680   1.1220 2.148000 1.493000 
1 1 1   41   15   15 o   1.9410   0.6557   2.1290   0.9971   1.7540   0.8519 0.3747000 1.311000 
1 1 1   41   15   16 o   2.0070   0.6715   1.9930   0.9561   2.0200   0.9433 -0.2738000E-01 1.343000 
1 1 1   41   15   17 o   2.6570   0.7776   2.2640   1.0190   3.0500   1.1750 -0.7856000 1.555000 
1 1 1   41   15   18 o   2.1890   0.7001   2.5980   1.0950   1.7810   0.8724 0.8166000 1.400000 
1 1 1   41   15   19 o   2.1290   0.7260   2.2420   1.0660   2.0150   0.9857 0.2270000 1.452000 
1 1 1   41   17    0 o   7.5380   0.4071   7.1190   0.5750   7.9560   0.5764 -0.8373000 0.8141000 
1 1 1   41   17    1 o   7.1940   0.4846   7.5290   0.6992   6.8580   0.6712 0.6718000 0.9693000 
1 1 1   41   17    2 o   3.9860   0.7279   3.3990   1.1940   4.5730   0.8324 -1.174000 1.456000 
1 1 1   41   17    3 o   10.860   0.2877   10.930   0.4310   10.790   0.3812 0.1334000 0.5754000 
1 1 1   41   17    4 o   4.5880   0.6265   5.7020   0.7579   3.4750   0.9979 2.227000 1.253000 
1 1 1   41   17    5 o   2.4220   0.7044   2.2470   0.9830   2.5960   1.0090 -0.3490000 1.409000 
1 1 1   41   17    6 o   8.1280   0.3835   8.3590   0.5477   7.8980   0.5370 0.4612000 0.7671000 
1 1 1   41   17    7 o   2.6850   0.7238   2.0750   0.9461   3.2950   1.0960 -1.220000 1.448000 
1 1 1   41   17    8 o   3.6030   0.9142   3.6950   1.3070   3.5110   1.2790 0.1843000 1.828000 
1 1 1   41   17    9 o   4.1200   0.7763   3.7980   1.1430   4.4430   1.0510 -0.6444000 1.553000 
1 1 1   41   17   10 f   2.3110   0.7009   1.7790   0.8592   2.8430   1.1080 -1.064000 1.402000 
1 1 1   41   17   11 o   3.1740   0.7486   2.2600   1.0110   4.0890   1.1040 -1.829000 1.497000 
1 1 1   41   17   12 o   1.9190   0.6432   2.0660   0.9594   1.7730   0.8569 0.2924000 1.286000 
1 1 1   41   17   13 o   3.2610   0.8109   4.0840   1.2310   2.4380   1.0560 1.645000 1.622000 
1 1 1   41   17   14 o   3.3940   0.8095   4.3310   1.2240   2.4560   1.0590 1.875000 1.619000 
1 1 1   41   17   15 o   1.8780   0.6363   1.9200   0.9168   1.8370   0.8825 0.8337000E-01 1.273000 
1 1 1   41   17   16 o   1.9980   0.6552   1.4690   0.7387   2.5270   1.0820 -1.057000 1.310000 
1 1 1   41   17   17 o   2.3660   0.7763   2.6830   1.1910   2.0490   0.9957 0.6340000 1.553000 
1 1 1   41   19    0 o   3.6610   0.6387   2.4380   1.0170   4.8840   0.7732 -2.446000 1.277000 
1 1 1   41   19    1 o   4.2770   0.6837   4.2420   1.0240   4.3120   0.9066 -0.7006000E-01 1.367000 
1 1 1   41   19    2 o   4.1920   0.6739   5.1490   0.8730   3.2350   1.0270 1.915000 1.348000 
1 1 1   41   19    3 o   3.9290   0.7199   4.3160   1.0130   3.5420   1.0230 0.7746000 1.440000 
1 1 1   41   19    4 o   3.5080   0.6109   1.9840   0.9167   5.0310   0.8077 -3.047000 1.222000 
1 1 1   41   19    5 o   2.5190   0.7737   2.9120   1.2040   2.1250   0.9725 0.7867000 1.547000 
1 1 1   41   19    6 o   3.8040   0.8547   3.4550   1.2930   4.1530   1.1180 -0.6974000 1.709000 
1 1 1   41   19    7 o   2.4980   0.6925   3.4270   1.1520   1.5700   0.7685 1.857000 1.385000 
1 1 1   41   19    8 o   6.8630   0.4994   6.4150   0.7789   7.3100   0.6251 -0.8948000 0.9987000 
1 1 1   41   19    9 o   2.2590   0.6876   2.9210   1.1280   1.5980   0.7861 1.322000 1.375000 
1 1 1   41   19   10 o   1.8810   0.6419   1.9480   0.9357   1.8130   0.8789 0.1351000 1.284000 
1 1 1   41   19   11 o   2.1580   0.6949   1.7710   0.8708   2.5460   1.0830 -0.7743000 1.390000 
1 1 1   41   19   12 o   2.5450   0.7614   2.3380   1.0350   2.7520   1.1170 -0.4146000 1.523000 
1 1 1   41   19   13 o   2.9020   0.8072   3.0890   1.1690   2.7160   1.1130 0.3726000 1.614000 
1 1 1   41   19   14 o   2.5250   0.7564   2.1510   0.9914   2.8990   1.1430 -0.7478000 1.513000 
1 1 1   41   19   15 o   3.1350   0.8270   3.3000   1.1870   2.9700   1.1520 0.3296000 1.654000 
1 1 1   41   21    0 o   3.9240   0.7163   3.9480   1.0580   3.9000   0.9653 0.4790000E-01 1.433000 
1 1 1   41   21    1 o   2.2400   0.6658   1.7660   0.8477   2.7130   1.0270 -0.9471000 1.332000 
1 1 1   41   21    2 o   3.0960   0.8425   3.2670   1.2620   2.9240   1.1170 0.3424000 1.685000 
1 1 1   41   21    3 o   3.1550   0.8553   3.6360   1.3060   2.6740   1.1050 0.9618000 1.711000 
1 1 1   41   21    4 o   7.0230   0.4596   7.7070   0.6320   6.3400   0.6675 1.367000 0.9192000 
1 1 1   41   21    5 o   2.2720   0.7032   2.3790   1.0330   2.1640   0.9545 0.2142000 1.406000 
1 1 1   41   21    6 o   1.7150   0.5877   1.7670   0.8577   1.6640   0.8036 0.1035000 1.175000 
1 1 1   41   21    7 o   2.0350   0.6734   1.9010   0.9206   2.1690   0.9832 -0.2682000 1.347000 
1 1 1   41   21    8 o   4.3940   0.8068   4.0720   1.2340   4.7160   1.0400 -0.6446000 1.614000 
1 1 1   41   21    9 o   2.0110   0.6561   1.7240   0.8419   2.2990   1.0070 -0.5745000 1.312000 
1 1 1   41   21   10 o   2.7330   0.7912   2.8520   1.1370   2.6140   1.1010 0.2384000 1.582000 
1 1 1   41   21   11 o   2.3940   0.7422   2.2460   1.0180   2.5410   1.0800 -0.2951000 1.484000 
1 1 1   41   21   12 f   1.8410   0.6296   1.7730   0.8644   1.9090   0.9157 -0.1361000 1.259000 
1 1 1   41   21   13 o   2.1450   0.7334   2.3860   1.1150   1.9030   0.9529 0.4822000 1.467000 
1 1 1   41   23    0 o   2.2180   0.7097   2.5230   1.1000   1.9130   0.8966 0.6102000 1.419000 
1 1 1   41   23    1 f   2.8670   0.8037   3.1830   1.2160   2.5510   1.0520 0.6322000 1.607000 
1 1 1   41   23    2 o   3.6430   0.8400   3.5540   1.2310   3.7320   1.1430 -0.1776000 1.680000 
1 1 1   41   23    3 o   2.0920   0.6893   2.2640   1.0390   1.9190   0.9067 0.3449000 1.379000 
1 1 1   41   23    4 o   3.9560   0.7511   3.0640   1.2050   4.8470   0.8969 -1.783000 1.502000 
1 1 1   41   23    5 o   2.5310   0.7466   2.5820   1.0830   2.4800   1.0280 0.1014000 1.493000 
1 1 1   41   23    6 o   2.0280   0.6623   2.0230   0.9423   2.0330   0.9309 -0.9364000E-02 1.325000 
1 1 1   41   23    7 o   2.2770   0.6922   1.8040   0.8711   2.7500   1.0760 -0.9458000 1.384000 
1 1 1   41   23    8 o   2.4080   0.7288   2.2460   1.0080   2.5710   1.0520 -0.3250000 1.458000 
1 1 1   41   23    9 o   2.5500   0.7471   2.9870   1.1490   2.1130   0.9551 0.8734000 1.494000 
1 1 1   41   25    0 o   2.2980   0.7050   2.2700   1.0050   2.3250   0.9888 -0.5523000E-01 1.410000 
1 1 1   41   25    1 o   1.8830   0.6255   1.9360   0.9091   1.8300   0.8593 0.1061000 1.251000 
1 1 1   41   25    2 o   1.8530   0.6223   2.0070   0.9383   1.6990   0.8176 0.3085000 1.245000 
1 1 1   41   25    3 o   3.2140   0.8020   3.5110   1.1730   2.9170   1.0940 0.5942000 1.604000 
1 1 1   41   25    4 o   2.5830   0.7618   2.8340   1.1380   2.3320   1.0130 0.5025000 1.524000 
1 1 1   42    0    0 f   11.710   0.2899   11.710   0.2899   11.710   0.2899 0.000000 0.000000 
1 1 1   42    0    1 o   4.5010   0.7652   4.5010   0.7652   4.5010   0.7652 0.000000 0.000000 
1 1 1   42    0    2 o   13.260   0.5843   13.260   0.5843   13.260   0.5843 0.000000 0.000000 
1 1 1   42    0    3 o   6.0520   1.0640   6.0520   1.0640   6.0520   1.0640 0.000000 0.000000 
1 1 1   42    0    4 o   14.090   0.5139   14.090   0.5139   14.090   0.5139 0.000000 0.000000 
1 1 1   42    0    5 o   6.5390   1.0380   6.5390   1.0380   6.5390   1.0380 0.000000 0.000000 
1 1 1   42    0    6 o   18.520   0.2922   18.520   0.2922   18.520   0.2922 0.000000 0.000000 
1 1 1   42    0    7 o   12.660   0.3499   12.660   0.3499   12.660   0.3499 0.000000 0.000000 
1 1 1   42    0    8 o   6.7180   0.6225   6.7180   0.6225   6.7180   0.6225 0.000000 0.000000 
1 1 1   42    0    9 o   5.5510   0.7905   5.5510   0.7905   5.5510   0.7905 0.000000 0.000000 
1 1 1   42    0   10 o   12.580   0.4463   12.580   0.4463   12.580   0.4463 0.000000 0.000000 
1 1 1   42    0   11 o   1.6270   1.0570   1.6270   1.0570   1.6270   1.0570 0.000000 0.000000 
1 1 1   42    0   12 o   8.5900   0.5271   8.5900   0.5271   8.5900   0.5271 0.000000 0.000000 
1 1 1   42    0   13 o   3.2990   1.3410   3.2990   1.3410   3.2990   1.3410 0.000000 0.000000 
1 1 1   42    0   14 o   7.8460   0.8232   7.8460   0.8232   7.8460   0.8232 0.000000 0.000000 
1 1 1   42    0   15 o   6.4560   1.5700   6.4560   1.5700   6.4560   1.5700 0.000000 0.000000 
1 1 1   42    0   16 o   1.9890   1.2150   1.9890   1.2150   1.9890   1.2150 0.000000 0.000000 
1 1 1   42    0   17 o   2.3980   1.3240   2.3980   1.3240   2.3980   1.3240 0.000000 0.000000 
1 1 1   42    0   18 o   1.6660   1.1000   1.6660   1.1000   1.6660   1.1000 0.000000 0.000000 
1 1 1   42    0   19 o   1.8830   1.1970   1.8830   1.1970   1.8830   1.1970 0.000000 0.000000 
1 1 1   42    0   20 o   1.7020   1.1180   1.7020   1.1180   1.7020   1.1180 0.000000 0.000000 
1 1 1   42    0   21 o   2.7970   1.4250   2.7970   1.4250   2.7970   1.4250 0.000000 0.000000 
1 1 1   42    0   22 o   1.9460   1.2690   1.9460   1.2690   1.9460   1.2690 0.000000 0.000000 
1 1 1   42    0   23 o   1.8500   1.1880   1.8500   1.1880   1.8500   1.1880 0.000000 0.000000 
1 1 1   42    0   24 o   1.2320   0.8828   1.2320   0.8828   1.2320   0.8828 0.000000 0.000000 
1 1 1   42    2    0 o   20.220   0.2433   20.510   0.3938   19.930   0.2860 0.5796000 0.4867000 
1 1 1   42    2    1 o   23.270   0.2617   23.490   0.4244   23.040   0.3063 0.4482000 0.5234000 
1 1 1   42    2    2 o   12.910   0.3727  ?   ?    12.910   0.3727      ?      ? 
1 1 1   42    2    3 o   15.800   0.2740  ?   ?    15.800   0.2740      ?      ? 
1 1 1   42    2    4 o   9.6890   0.3206   9.6910   0.5100   9.6860   0.3886 0.5014000E-02 0.6411000 
1 1 1   42    2    5 o   21.600   0.3012   21.550   0.3513   21.650   0.4893 -0.9680000E-01 0.6024000 
1 1 1   42    2    6 o   16.000   0.3076   16.020   0.3129   15.980   0.5298 0.3708000E-01 0.6153000 
1 1 1   42    2    7 o   18.390   0.2974   18.080   0.2998   18.700   0.5138 -0.6229000 0.5948000 
1 1 1   42    2    8 o   2.5350   0.7197   3.0120   1.0630   2.0590   0.9702 0.9536000 1.439000 
1 1 1   42    2    9 o   9.0900   0.3680   9.6080   0.5337   8.5710   0.5070 1.037000 0.7361000 
1 1 1   42    2   10 o   6.5380   0.5231   5.8130   0.7657   7.2630   0.7130 -1.450000 1.046000 
1 1 1   42    2   11 o   7.8960   0.4016   7.6730   0.5823   8.1190   0.5532 -0.4458000 0.8032000 
1 1 1   42    2   12 o   5.4180   0.5985   6.0710   0.7332   4.7650   0.9460 1.306000 1.197000 
1 1 1   42    2   13 o   3.1200   0.7808   3.2180   1.1120   3.0220   1.0970 0.1966000 1.562000 
1 1 1   42    2   14 o   5.6760   0.7212   5.6680   1.0250   5.6840   1.0150 -0.1562000E-01 1.442000 
1 1 1   42    2   15 o   6.0030   0.7356   5.4850   1.1380   6.5200   0.9330 -1.036000 1.471000 
1 1 1   42    2   16 o   2.3660   0.7267   2.4650   1.0490   2.2670   1.0050 0.1980000 1.453000 
1 1 1   42    2   17 o   3.1600   0.8013   2.8890   1.1210   3.4310   1.1450 -0.5417000 1.603000 
1 1 1   42    2   18 o   3.2520   0.8226   3.0300   1.1550   3.4740   1.1710 -0.4440000 1.645000 
1 1 1   42    2   19 o   2.4390   0.7240   1.8120   0.8745   3.0670   1.1540 -1.256000 1.448000 
1 1 1   42    2   20 o   2.1640   0.6969   2.4160   1.0570   1.9130   0.9090 0.5028000 1.394000 
1 1 1   42    2   21 o   2.1560   0.7003   2.2720   1.0240   2.0400   0.9554 0.2318000 1.401000 
1 1 1   42    2   22 o   2.5050   0.7813   3.0510   1.2380   1.9590   0.9530 1.092000 1.563000 
1 1 1   42    2   23 o   1.8100   0.6205   2.0660   0.9669   1.5550   0.7778 0.5114000 1.241000 
1 1 1   42    2   24 f   2.2640   0.7462   2.1750   1.0450   2.3530   1.0650 -0.1780000 1.492000 
1 1 1   42    4    0 o   5.2790   0.5442   4.9560   0.9521   5.6020   0.5274 -0.6459000 1.088000 
1 1 1   42    4    1 o   15.260   0.2145   14.790   0.3434   15.740   0.2570 -0.9473000 0.4290000 
1 1 1   42    4    2 o   15.250   0.3424   15.280   0.5927   15.210   0.3432 0.6656000E-01 0.6849000 
1 1 1   42    4    3 f   21.200   0.2148   21.010   0.3378   21.380   0.2653 -0.3653000 0.4296000 
1 1 1   42    4    4 o   3.6240   0.7062   3.1350   1.1110   4.1120   0.8719 -0.9770000 1.412000 
1 1 1   42    4    5 o   2.6860   0.7432   2.8840   1.1210   2.4880   0.9761 0.3967000 1.486000 
1 1 1   42    4    6 o   3.4280   0.7815   3.7810   1.1800   3.0750   1.0250 0.7059000 1.563000 
1 1 1   42    4    7 o   3.8910   0.7941   4.3470   1.1690   3.4340   1.0750 0.9125000 1.588000 
1 1 1   42    4    8 o   14.220   0.4027   14.220   0.5362   14.210   0.6011 0.2762000E-02 0.8055000 
1 1 1   42    4    9 o   2.8670   0.8835   2.4920   1.1300   3.2430   1.3580 -0.7505000 1.767000 
1 1 1   42    4   10 o   5.1070   0.8749   4.6910   1.1120   5.5220   1.3510 -0.8315000 1.750000 
1 1 1   42    4   11 o   8.9820   0.4628   8.8590   0.6422   9.1050   0.6667 -0.2464000 0.9257000 
1 1 1   42    4   12 o   5.5090   0.6036   6.1690   0.7334   4.8490   0.9588 1.320000 1.207000 
1 1 1   42    4   13 o   4.4620   0.8249   5.1280   1.0870   3.7950   1.2410 1.333000 1.650000 
1 1 1   42    4   14 o   2.5890   0.7793   2.0530   0.9742   3.1260   1.2170 -1.073000 1.559000 
1 1 1   42    4   15 o   2.1350   0.7138   2.0860   0.9994   2.1840   1.0200 -0.9719000E-01 1.428000 
1 1 1   42    4   16 o   4.2690   0.7767   4.2900   1.0930   4.2480   1.1040 0.4200000E-01 1.553000 
1 1 1   42    4   17 o   3.6220   0.7083   4.9830   0.9925   2.2610   1.0110 2.722000 1.417000 
1 1 1   42    4   18 o   2.3240   0.7221   2.0150   0.9448   2.6320   1.0920 -0.6175000 1.444000 
1 1 1   42    4   19 o   2.1780   0.6992   2.4530   1.0640   1.9030   0.9075 0.5493000 1.398000 
1 1 1   42    4   20 o   2.5650   0.7529   3.0390   1.1520   2.0910   0.9696 0.9483000 1.506000 
1 1 1   42    4   21 o   2.6810   0.8078   2.7040   1.1710   2.6580   1.1130 0.4580000E-01 1.616000 
1 1 1   42    4   22 o   2.6200   0.8035   2.6440   1.1090   2.5960   1.1630 0.4770000E-01 1.607000 
1 1 1   42    4   23 o   2.8140   0.8085   2.7010   1.1210   2.9280   1.1660 -0.2271000 1.617000 
1 1 1   42    6    0 o   23.730   0.1712   23.760   0.2557   23.700   0.2278 0.6314000E-01 0.3424000 
1 1 1   42    6    1 o   17.910   0.1797   18.050   0.2524   17.780   0.2557 0.2702000 0.3593000 
1 1 1   42    6    2 o   5.3670   0.5450   4.7560   0.8485   5.9780   0.6842 -1.222000 1.090000 
1 1 1   42    6    3 o   14.430   0.2043   14.210   0.2878   14.660   0.2901 -0.4428000 0.4086000 
1 1 1   42    6    4 o   17.330   0.1981   17.660   0.2789   17.010   0.2814 0.6529000 0.3963000 
1 1 1   42    6    5 o   20.620   0.1994   20.410   0.2811   20.830   0.2829 -0.4164000 0.3988000 
1 1 1   42    6    6 o   12.770   0.2435   12.320   0.3460   13.210   0.3428 -0.8845000 0.4870000 
1 1 1   42    6    7 o   10.980   0.2880   11.190   0.4115   10.770   0.4031 0.4197000 0.5760000 
1 1 1   42    6    8 o   8.2610   0.3839   7.8750   0.5902   8.6460   0.4911 -0.7712000 0.7678000 
1 1 1   42    6    9 o   3.0210   0.7547   2.7570   1.0620   3.2850   1.0720 -0.5281000 1.509000 
1 1 1   42    6   10 o   4.3830   0.8541   4.4120   1.2290   4.3550   1.1870 0.5689000E-01 1.708000 
1 1 1   42    6   11 o   10.740   0.4816   11.260   0.4321   10.210   0.8608 1.056000 0.9631000 
1 1 1   42    6   12 o   2.6160   0.8277   2.3270   1.0080   2.9050   1.3130 -0.5778000 1.655000 
1 1 1   42    6   13 o   2.7920   1.0850   2.7920   1.0850  ?   ?       ?      ? 
1 1 1   42    6   14 o   3.1030   0.8939   3.5470   1.2800   2.6580   1.2490 0.8885000 1.788000 
1 1 1   42    6   15 o   2.1960   0.6974   2.3040   1.0080   2.0880   0.9644 0.2163000 1.395000 
1 1 1   42    6   16 o   2.5940   0.7348   2.8240   1.0440   2.3630   1.0350 0.4608000 1.470000 
1 1 1   42    6   17 o   2.6400   0.7436   2.1310   0.9453   3.1490   1.1480 -1.018000 1.487000 
1 1 1   42    6   18 o   2.6530   0.7519   2.2400   0.9745   3.0650   1.1450 -0.8248000 1.504000 
1 1 1   42    6   19 o   3.5770   0.7888   3.8090   1.0510   3.3450   1.1770 0.4643000 1.578000 
1 1 1   42    6   20 o   2.3500   0.7244   2.2670   0.9899   2.4330   1.0580 -0.1669000 1.449000 
1 1 1   42    6   21 o   2.4420   0.7535   2.3250   1.0330   2.5590   1.0970 -0.2334000 1.507000 
1 1 1   42    6   22 o   1.9060   0.6535   2.0010   0.9458   1.8120   0.9020 0.1888000 1.307000 
1 1 1   42    6   23 o   2.1140   0.6893   1.7860   0.8595   2.4420   1.0780 -0.6558000 1.379000 
1 1 1   42    8    0 o   9.2190   0.2961   9.3670   0.4511   9.0710   0.3837 0.2961000 0.5922000 
1 1 1   42    8    1 o   19.690   0.2172   19.700   0.3324   19.670   0.2797 0.2923000E-01 0.4344000 
1 1 1   42    8    2 o   7.6430   0.3136   7.5730   0.4463   7.7130   0.4406 -0.1399000 0.6272000 
1 1 1   42    8    3 o   10.140   0.2570   10.100   0.3694   10.190   0.3573 -0.9304000E-01 0.5139000 
1 1 1   42    8    4 o   13.900   0.2188   14.270   0.3058   13.530   0.3130 0.7410000 0.4376000 
1 1 1   42    8    5 o   3.5110   0.7199   3.3550   1.0440   3.6680   0.9918 -0.3130000 1.440000 
1 1 1   42    8    6 o   2.9000   0.7421   2.9640   1.0640   2.8360   1.0350 0.1285000 1.484000 
1 1 1   42    8    7 o   9.2390   0.3235   9.5370   0.4499   8.9420   0.4650 0.5953000 0.6471000 
1 1 1   42    8    8 o   11.020   0.2927   10.840   0.4236   11.190   0.4041 -0.3520000 0.5855000 
1 1 1   42    8    9 o   8.4990   0.4766   8.1900   0.7072   8.8090   0.6393 -0.6186000 0.9533000 
1 1 1   42    8   10 o   2.1100   0.6697   2.2990   0.9976   1.9220   0.8938 0.3764000 1.339000 
1 1 1   42    8   11 o   7.1860   0.4816   6.5360   0.6922   7.8370   0.6699 -1.300000 0.9633000 
1 1 1   42    8   12 o   2.2510   0.7130   1.9570   0.9139   2.5450   1.0950 -0.5875000 1.426000 
1 1 1   42    8   13 o   8.3710   0.4123   8.8980   0.5614   7.8450   0.6040 1.053000 0.8246000 
1 1 1   42    8   14 o   3.0190   0.9193   2.9550   1.2420   3.0840   1.3560 -0.1291000 1.839000 
1 1 1   42    8   15 o   3.0670   0.9098   2.3130   1.0300   3.8220   1.5000 -1.510000 1.820000 
1 1 1   42    8   16 o   4.7320   0.9458   4.8620   1.0590   4.6020   1.5670 0.2596000 1.892000 
1 1 1   42    8   17 o   3.3280   0.9454   2.5330   1.0810   4.1230   1.5510 -1.589000 1.891000 
1 1 1   42    8   18 o   2.4170   0.7545   2.7000   1.1110   2.1340   1.0210 0.5653000 1.509000 
1 1 1   42    8   19 o   2.9330   0.8125   2.8600   1.1340   3.0050   1.1640 -0.1452000 1.625000 
1 1 1   42    8   20 o   1.9210   0.6473   1.7150   0.8366   2.1280   0.9881 -0.4138000 1.295000 
1 1 1   42    8   21 o   2.2230   0.7349   2.1300   0.9902   2.3160   1.0860 -0.1864000 1.470000 
1 1 1   42    8   22 o   2.0470   0.6735   2.2410   1.0050   1.8520   0.8966 0.3890000 1.347000 
1 1 1   42   10    0 o   2.6650   0.6466   2.5770   0.9379   2.7540   0.8902 -0.1772000 1.293000 
1 1 1   42   10    1 o   6.7420   0.3387   6.7860   0.5005   6.6980   0.4563 0.8742000E-01 0.6773000 
1 1 1   42   10    2 o   9.3910   0.2610   9.5260   0.3853   9.2560   0.3523 0.2698000 0.5221000 
1 1 1   42   10    3 o   7.6450   0.3646   7.1780   0.5469   8.1120   0.4823 -0.9347000 0.7292000 
1 1 1   42   10    4 o   11.390   0.2729   11.380   0.3973   11.400   0.3744 -0.2578000E-01 0.5459000 
1 1 1   42   10    5 o   6.1240   0.4510   5.5050   0.6926   6.7440   0.5780 -1.239000 0.9021000 
1 1 1   42   10    6 o   5.4240   0.5229   5.4280   0.7367   5.4200   0.7422 0.8173000E-02 1.046000 
1 1 1   42   10    7 o   6.7520   0.4299   6.2770   0.6495   7.2260   0.5635 -0.9487000 0.8598000 
1 1 1   42   10    8 o   2.4060   0.7574   2.2420   1.0250   2.5690   1.1160 -0.3272000 1.515000 
1 1 1   42   10    9 o   3.7580   0.7561   3.4000   1.0980   4.1160   1.0390 -0.7161000 1.512000 
1 1 1   42   10   10 o   3.0140   0.7942   2.9360   1.0760   3.0920   1.1680 -0.1563000 1.588000 
1 1 1   42   10   11 o   2.9100   0.7742   2.8520   1.0820   2.9680   1.1070 -0.1155000 1.548000 
1 1 1   42   10   12 f   2.6640   0.7295   2.0500   0.9368   3.2780   1.1190 -1.227000 1.459000 
1 1 1   42   10   13 o   2.1950   0.7206   2.4700   1.1030   1.9210   0.9277 0.5484000 1.441000 
1 1 1   42   10   14 o   2.7360   0.7759   2.6850   1.0920   2.7870   1.1020 -0.1024000 1.552000 
1 1 1   42   10   15 o   5.0200   0.7001   4.3530   1.1050   5.6870   0.8597 -1.334000 1.400000 
1 1 1   42   10   16 o   3.6760   0.7428   2.5290   1.0840   4.8230   1.0160 -2.294000 1.486000 
1 1 1   42   10   17 o   3.9100   0.8242   3.4200   1.2080   4.3990   1.1220 -0.9789000 1.648000 
1 1 1   42   10   18 o   2.6690   0.8118   2.8570   1.1620   2.4820   1.1340 0.3750000 1.624000 
1 1 1   42   10   19 o   3.2870   0.9598   3.3690   1.2760   3.2060   1.4340 0.1623000 1.920000 
1 1 1   42   10   20 o   2.5790   0.8483   2.2750   1.0410   2.8840   1.3390 -0.6088000 1.697000 
1 1 1   42   10   21 o   2.2060   0.7648   2.1530   1.0450   2.2600   1.1170 -0.1076000 1.530000 
1 1 1   42   10   22 o   2.3810   1.1440   2.3810   1.1440  ?   ?       ?      ? 
1 1 1   42   12    0 o   18.940   0.2092   19.110   0.3151   18.780   0.2753 0.3222000 0.4184000 
1 1 1   42   12    1 o   5.0790   0.4732   5.1350   0.7027   5.0240   0.6339 0.1107000 0.9464000 
1 1 1   42   12    2 o   19.230   0.1955   19.160   0.2881   19.300   0.2644 -0.1348000 0.3910000 
1 1 1   42   12    3 o   11.040   0.2562   10.500   0.3850   11.590   0.3382 -1.086000 0.5125000 
1 1 1   42   12    4 o   7.0960   0.3972   7.4300   0.5176   6.7630   0.6028 0.6671000 0.7945000 
1 1 1   42   12    5 o   11.580   0.2724   11.440   0.3842   11.720   0.3863 -0.2753000 0.5448000 
1 1 1   42   12    6 o   2.2410   0.6793   2.3640   0.9875   2.1170   0.9331 0.2466000 1.359000 
1 1 1   42   12    7 o   2.9820   0.8367   2.7450   1.1420   3.2200   1.2230 -0.4751000 1.673000 
1 1 1   42   12    8 o   7.3880   0.4528   7.1720   0.6190   7.6040   0.6610 -0.4320000 0.9056000 
1 1 1   42   12    9 o   5.5800   0.5619   5.1130   0.8628   6.0480   0.7201 -0.9353000 1.124000 
1 1 1   42   12   10 o   5.6920   0.5634   5.3570   0.8421   6.0280   0.7487 -0.6712000 1.127000 
1 1 1   42   12   11 o   6.7000   0.4833   6.3820   0.7136   7.0180   0.6520 -0.6355000 0.9667000 
1 1 1   42   12   12 o   3.2370   0.8582   3.7140   1.2770   2.7590   1.1480 0.9551000 1.716000 
1 1 1   42   12   13 o   5.2230   0.6360   5.2370   0.9058   5.2100   0.8931 0.2682000E-01 1.272000 
1 1 1   42   12   14 o   3.6050   0.7389   2.5850   1.0740   4.6250   1.0150 -2.040000 1.478000 
1 1 1   42   12   15 o   2.2240   0.7071   2.0890   0.9626   2.3600   1.0360 -0.2708000 1.414000 
1 1 1   42   12   16 o   2.7830   0.7859   2.5880   1.0800   2.9780   1.1420 -0.3906000 1.572000 
1 1 1   42   12   17 o   3.9330   0.8283   4.4220   1.1740   3.4440   1.1690 0.9781000 1.657000 
1 1 1   42   12   18 o   2.4660   0.7629   2.8000   1.1650   2.1320   0.9848 0.6676000 1.526000 
1 1 1   42   12   19 o   2.3060   0.7087   2.9790   1.1640   1.6340   0.8090 1.345000 1.417000 
1 1 1   42   12   20 o   2.5630   0.8190   2.1580   1.0320   2.9690   1.2720 -0.8111000 1.638000 
1 1 1   42   12   21 o   1.9640   0.9816   1.9640   0.9816  ?   ?       ?      ? 
1 1 1   42   14    0 o   16.470   0.2041   16.280   0.3047   16.660   0.2715 -0.3783000 0.4082000 
1 1 1   42   14    1 o   7.1520   0.3568   6.8920   0.5471   7.4130   0.4583 -0.5216000 0.7137000 
1 1 1   42   14    2 o   6.6570   0.3855   6.6750   0.5676   6.6400   0.5218 0.3464000E-01 0.7710000 
1 1 1   42   14    3 o   4.3410   0.6130   5.2710   0.7269   3.4100   0.9872 1.861000 1.226000 
1 1 1   42   14    4 o   7.8220   0.3692   7.6310   0.5499   8.0130   0.4928 -0.3824000 0.7384000 
1 1 1   42   14    5 o   7.4010   0.5352   7.4720   0.7232   7.3310   0.7891 0.1407000 1.070000 
1 1 1   42   14    6 o   4.5650   0.7610   3.8420   1.2110   5.2890   0.9225 -1.447000 1.522000 
1 1 1   42   14    7 o   7.7480   0.4087   8.2990   0.5322   7.1970   0.6204 1.102000 0.8174000 
1 1 1   42   14    8 o   9.2700   0.3497   9.1070   0.5046   9.4330   0.4843 -0.3260000 0.6994000 
1 1 1   42   14    9 o   3.4120   0.6782   4.7150   0.9649   2.1100   0.9532 2.605000 1.356000 
1 1 1   42   14   10 o   5.4540   0.6151   5.5570   0.8457   5.3510   0.8933 0.2057000 1.230000 
1 1 1   42   14   11 o   8.1680   0.5345   8.2180   0.7822   8.1170   0.7285 0.1014000 1.069000 
1 1 1   42   14   12 o   2.9480   0.7916   2.8760   1.1180   3.0200   1.1200 -0.1444000 1.583000 
1 1 1   42   14   13 o   2.4410   0.7377   2.2530   1.0060   2.6290   1.0790 -0.3757000 1.475000 
1 1 1   42   14   14 o   4.2730   0.7559   5.1030   0.9767   3.4440   1.1540 1.659000 1.512000 
1 1 1   42   14   15 o   3.6090   0.7862   4.3200   1.0970   2.8980   1.1260 1.422000 1.572000 
1 1 1   42   14   16 f   2.6780   0.7908   3.0670   1.2100   2.2900   1.0180 0.7767000 1.582000 
1 1 1   42   14   17 o   2.4090   0.7409   2.1220   0.9825   2.6950   1.1090 -0.5739000 1.482000 
1 1 1   42   14   18 o   2.8060   0.7790   3.3840   1.1750   2.2280   1.0230 1.156000 1.558000 
1 1 1   42   14   19 o   2.1380   0.7269   2.2900   1.0800   1.9850   0.9735 0.3047000 1.454000 
1 1 1   42   16    0 o   3.9110   0.6536   4.8550   0.8167   2.9670   1.0210 1.888000 1.307000 
1 1 1   42   16    1 o   8.1750   0.3488   7.8300   0.5180   8.5200   0.4672 -0.6892000 0.6976000 
1 1 1   42   16    2 o   7.9650   0.4243   8.2780   0.5234   7.6520   0.6679 0.6257000 0.8486000 
1 1 1   42   16    3 o   3.6410   0.8172   3.4970   1.2050   3.7850   1.1040 -0.2884000 1.634000 
1 1 1   42   16    4 o   4.1020   0.6841   4.3570   0.9639   3.8470   0.9709 0.5102000 1.368000 
1 1 1   42   16    5 o   2.6290   0.7014   3.2920   1.0800   1.9660   0.8948 1.325000 1.403000 
1 1 1   42   16    6 o   2.2780   0.6884   2.5830   1.0430   1.9740   0.8991 0.6091000 1.377000 
1 1 1   42   16    7 o   2.1140   0.6762   1.9720   0.9119   2.2570   0.9988 -0.2851000 1.352000 
1 1 1   42   16    8 o   5.3710   0.6270   4.6800   0.9817   6.0620   0.7803 -1.382000 1.254000 
1 1 1   42   16    9 o   3.7820   0.9025   4.1230   1.3170   3.4410   1.2350 0.6816000 1.805000 
1 1 1   42   16   10 o   3.2300   0.7992   3.1470   1.1360   3.3130   1.1250 -0.1656000 1.598000 
1 1 1   42   16   11 o   2.6150   0.7619   2.4480   1.0530   2.7810   1.1020 -0.3330000 1.524000 
1 1 1   42   16   12 o   2.4310   0.7398   2.2860   1.0150   2.5770   1.0770 -0.2912000 1.480000 
1 1 1   42   16   13 f   2.6530   0.7452   2.0500   0.9562   3.2560   1.1430 -1.206000 1.490000 
1 1 1   42   16   14 o   2.3270   0.7393   2.2770   1.0510   2.3770   1.0400 -0.1007000 1.479000 
1 1 1   42   16   15 o   2.7760   0.7892   2.4320   1.0730   3.1200   1.1580 -0.6885000 1.578000 
1 1 1   42   16   16 o   2.8560   0.8073   3.0290   1.1680   2.6830   1.1150 0.3466000 1.615000 
1 1 1   42   16   17 o   1.8410   0.6274   1.5760   0.7855   2.1060   0.9786 -0.5294000 1.255000 
1 1 1   42   16   18 o   2.6180   0.8418   2.7080   1.2100   2.5270   1.1710 0.1809000 1.684000 
1 1 1   42   18    0 o   4.2820   0.7096   3.4100   1.2130   5.1550   0.7368 -1.745000 1.419000 
1 1 1   42   18    1 o   2.7420   0.7370   2.8040   1.0770   2.6800   1.0060 0.1246000 1.474000 
1 1 1   42   18    2 o   7.8950   0.3759   8.2270   0.5438   7.5630   0.5192 0.6639000 0.7518000 
1 1 1   42   18    3 o   5.9280   0.4892   6.2380   0.6883   5.6170   0.6952 0.6204000 0.9783000 
1 1 1   42   18    4 o   9.6650   0.3233   9.4910   0.4896   9.8400   0.4224 -0.3489000 0.6466000 
1 1 1   42   18    5 o   4.8860   0.6242   4.9510   0.9212   4.8200   0.8427 0.1317000 1.248000 
1 1 1   42   18    6 o   2.6280   0.7207   3.2610   1.1190   1.9950   0.9087 1.266000 1.441000 
1 1 1   42   18    7 o   2.7410   0.7609   1.9690   0.9540   3.5120   1.1860 -1.542000 1.522000 
1 1 1   42   18    8 o   5.6540   0.5890   5.9480   0.8179   5.3590   0.8477 0.5891000 1.178000 
1 1 1   42   18    9 o   4.2840   0.7855   4.1480   1.1240   4.4190   1.0980 -0.2710000 1.571000 
1 1 1   42   18   10 f   2.5840   0.7343   1.9430   0.9178   3.2250   1.1470 -1.282000 1.469000 
1 1 1   42   18   11 o   2.3440   0.7084   3.2510   1.2190   1.4360   0.7213 1.815000 1.417000 
1 1 1   42   18   12 o   2.0770   0.6869   2.0690   0.9817   2.0840   0.9611 -0.1461000E-01 1.374000 
1 1 1   42   18   13 o   1.9150   0.6452   1.9650   0.9322   1.8650   0.8923 0.1004000 1.290000 
1 1 1   42   18   14 o   2.5400   0.7588   2.9070   1.1490   2.1730   0.9916 0.7345000 1.518000 
1 1 1   42   18   15 o   3.7620   0.8360   3.6970   1.1980   3.8270   1.1670 -0.1305000 1.672000 
1 1 1   42   18   16 o   2.6240   0.7854   3.1030   1.1890   2.1440   1.0260 0.9589000 1.571000 
1 1 1   42   20    0 o   4.0510   0.7048   4.3900   0.9962   3.7110   0.9973 0.6791000 1.410000 
1 1 1   42   20    1 o   9.5850   0.3265   9.5600   0.4884   9.6100   0.4333 -0.5025000E-01 0.6529000 
1 1 1   42   20    2 o   5.7910   0.5271   5.6170   0.8116   5.9640   0.6729 -0.3476000 1.054000 
1 1 1   42   20    3 f   4.6070   0.6715   4.2810   1.0600   4.9320   0.8243 -0.6515000 1.343000 
1 1 1   42   20    4 f   3.4220   0.8575   4.0900   1.3090   2.7540   1.1080 1.336000 1.715000 
1 1 1   42   20    5 o   3.7430   0.7239   2.3620   1.0830   5.1230   0.9613 -2.761000 1.448000 
1 1 1   42   20    6 o   2.7820   0.7502   3.3300   1.1430   2.2340   0.9726 1.096000 1.500000 
1 1 1   42   20    7 o   2.2690   0.7043   2.2150   0.9949   2.3230   0.9972 -0.1085000 1.409000 
1 1 1   42   20    8 o   1.8080   0.6208   2.1880   1.0130   1.4270   0.7186 0.7607000 1.242000 
1 1 1   42   20    9 o   3.7120   0.8626   3.6500   1.2360   3.7750   1.2040 -0.1256000 1.725000 
1 1 1   42   20   10 o   3.9200   0.7833   3.2530   1.1730   4.5880   1.0390 -1.336000 1.567000 
1 1 1   42   20   11 o   2.3690   0.7325   2.7800   1.1260   1.9580   0.9376 0.8218000 1.465000 
1 1 1   42   20   12 o   2.4240   0.7421   2.8470   1.1430   2.0000   0.9471 0.8462000 1.484000 
1 1 1   42   20   13 o   3.1160   0.8297   3.1570   1.1770   3.0760   1.1700 0.8022000E-01 1.659000 
1 1 1   42   20   14 o   3.1740   1.4750   3.1740   1.4750  ?   ?       ?      ? 
1 1 1   42   22    0 o   3.6610   0.8409   4.2840   1.2510   3.0370   1.1240 1.247000 1.682000 
1 1 1   42   22    1 o   7.7630   0.5493   6.6800   0.9359   8.8460   0.5754 -2.166000 1.099000 
1 1 1   42   22    2 o   1.9800   0.6460   2.1820   0.9817   1.7770   0.8401 0.4052000 1.292000 
1 1 1   42   22    3 o   3.5010   0.8324   3.4540   1.2200   3.5470   1.1330 -0.9226000E-01 1.665000 
1 1 1   42   22    4 o   4.5580   0.7692   3.9420   1.2150   5.1730   0.9431 -1.231000 1.538000 
1 1 1   42   22    5 o   2.2350   0.7153   2.3090   1.0450   2.1610   0.9767 0.1481000 1.431000 
1 1 1   42   22    6 o   2.5040   0.7425   2.6840   1.1000   2.3240   0.9976 0.3596000 1.485000 
1 1 1   42   22    7 o   2.0390   0.6630   2.0050   0.9355   2.0720   0.9397 -0.6709000E-01 1.326000 
1 1 1   42   22    8 o   2.8030   0.7811   2.8830   1.1320   2.7240   1.0760 0.1586000 1.562000 
1 1 1   42   22    9 o   2.3220   0.7185   2.0420   0.9546   2.6030   1.0740 -0.5609000 1.437000 
1 1 1   42   22   10 f   2.0150   0.6643   1.9020   0.9107   2.1280   0.9673 -0.2254000 1.329000 
1 1 1   42   24    0 o   2.4280   0.7071   2.9540   1.1080   1.9010   0.8793 1.053000 1.414000 
1 1 1   42   24    1 o   2.2380   0.6936   2.3090   1.0120   2.1680   0.9488 0.1415000 1.387000 
1 1 1   42   24    2 o   3.7680   0.7686   4.2490   1.0970   3.2870   1.0770 0.9621000 1.537000 
1 1 1   42   24    3 o   2.4610   0.7158   2.0100   0.9434   2.9110   1.0770 -0.9017000 1.432000 
1 1 1   42   24    4 o   4.7990   0.7079   3.7590   1.1880   5.8380   0.7704 -2.080000 1.416000 
1 1 1   42   24    5 o   3.5030   0.7828   2.9620   1.1460   4.0430   1.0670 -1.081000 1.566000 
1 1 1   42   24    6 o   2.1760   0.6961   2.2590   1.0180   2.0920   0.9495 0.1672000 1.392000 
1 1 1   43    1    0 f   21.760   0.1955   21.960   0.3040   21.570   0.2460 0.3933000 0.3910000 
1 1 1   43    1    1 o   29.610   0.2469   29.540   0.3518   29.680   0.3466 -0.1426000 0.4939000 
1 1 1   43    1    2 o   11.190   0.2951   11.420   0.4196   10.950   0.4151 0.4697000 0.5902000 
1 1 1   43    1    3 o   5.5530   0.4471   5.2930   0.6690   5.8130   0.5935 -0.5199000 0.8943000 
1 1 1   43    1    4 o   12.420   0.2523   12.200   0.3897   12.630   0.3204 -0.4332000 0.5045000 
1 1 1   43    1    5 o   10.920   0.3558   11.120   0.6055   10.720   0.3740 0.3940000 0.7117000 
1 1 1   43    1    6 o   21.900   0.2810   21.950   0.4818   21.840   0.2895 0.1098000 0.5620000 
1 1 1   43    1    7 o   6.7220   0.7183   6.4310   1.0480   7.0130   0.9830 -0.5820000 1.437000 
1 1 1   43    1    8 o   7.2410   0.5981   7.6520   0.5637   6.8310   1.0550 0.8205000 1.196000 
1 1 1   43    1    9 o   5.5410   0.7822   5.2650   0.9522   5.8170   1.2410 -0.5519000 1.564000 
1 1 1   43    1   10 o   4.7760   0.8469   3.8890   1.1580   5.6620   1.2360 -1.773000 1.694000 
1 1 1   43    1   11 o   7.1540   0.4393   7.6520   0.5820   6.6560   0.6584 0.9963000 0.8787000 
1 1 1   43    1   12 o   6.2310   0.5269   6.8830   0.6650   5.5780   0.8174 1.305000 1.054000 
1 1 1   43    1   13 o   3.2070   0.7715   3.6350   1.1050   2.7790   1.0770 0.8552000 1.543000 
1 1 1   43    1   14 o   2.4310   0.8266   2.6280   1.2430   2.2350   1.0900 0.3930000 1.653000 
1 1 1   43    1   15 o   3.1710   0.8091   3.4360   1.1590   2.9050   1.1290 0.5312000 1.618000 
1 1 1   43    1   16 o   3.3600   0.8009   3.7060   1.1380   3.0150   1.1270 0.6904000 1.602000 
1 1 1   43    1   17 o   3.2550   0.8195   3.3500   1.1590   3.1610   1.1590 0.1894000 1.639000 
1 1 1   43    1   18 o   4.0850   0.7549   5.1980   0.9852   2.9730   1.1440 2.225000 1.510000 
1 1 1   43    1   19 o   2.7990   0.7929   2.6920   1.1060   2.9070   1.1370 -0.2152000 1.586000 
1 1 1   43    1   20 o   2.8290   0.7969   3.0510   1.1540   2.6070   1.0990 0.4440000 1.594000 
1 1 1   43    1   21 o   2.7350   0.7934   2.5080   1.0800   2.9620   1.1620 -0.4542000 1.587000 
1 1 1   43    1   22 o   2.5760   0.8139   2.5660   1.1480   2.5860   1.1540 -0.1931000E-01 1.628000 
1 1 1   43    1   23 o   2.4000   0.7358   2.9230   1.1630   1.8760   0.9017 1.047000 1.472000 
1 1 1   43    3    0 o   20.010   0.2092   20.130   0.3060   19.900   0.2852 0.2291000 0.4183000 
1 1 1   43    3    1 o   21.940   0.2025   21.880   0.3159   22.010   0.2535 -0.1323000 0.4050000 
1 1 1   43    3    2 o   4.4780   0.9518  ?   ?    4.4780   0.9518      ?      ? 
1 1 1   43    3    3 o   3.9570   0.7331   3.5930   1.2260   4.3200   0.8047 -0.7267000 1.466000 
1 1 1   43    3    4 o   17.720   0.2644   18.080   0.4500   17.350   0.2779 0.7343000 0.5289000 
1 1 1   43    3    5 o   13.710   0.2680   13.430   0.4369   13.980   0.3104 -0.5501000 0.5360000 
1 1 1   43    3    6 o   22.290   0.2334   22.220   0.3703   22.370   0.2843 -0.1444000 0.4669000 
1 1 1   43    3    7 o   12.860   0.2891   12.070   0.4692   13.650   0.3377 -1.586000 0.5781000 
1 1 1   43    3    8 o   8.6700   0.3929   8.4020   0.6303   8.9380   0.4692 -0.5361000 0.7857000 
1 1 1   43    3    9 o   12.580   0.2907   13.060   0.4278   12.100   0.3939 0.9655000 0.5815000 
1 1 1   43    3   10 o   11.040   0.4482   12.110   0.3993   9.9770   0.8026 2.129000 0.8964000 
1 1 1   43    3   11 o   8.9110   0.4993   8.3510   0.5446   9.4710   0.8369 -1.119000 0.9985000 
1 1 1   43    3   12 o   7.1480   0.6633   7.7480   0.5931   6.5480   1.1870 1.200000 1.327000 
1 1 1   43    3   13 o   9.7560   0.4869   9.4120   0.5230   10.100   0.8214 -0.6885000 0.9737000 
1 1 1   43    3   14 o   4.5180   1.0990   4.0510   1.5660   4.9850   1.5420 -0.9341000 2.198000 
1 1 1   43    3   15 o   2.4260   0.7714   2.8560   1.2080   1.9960   0.9596 0.8599000 1.543000 
1 1 1   43    3   16 o   3.0590   0.7967   2.8290   1.1180   3.2880   1.1360 -0.4591000 1.593000 
1 1 1   43    3   17 o   3.9170   0.7724   4.7700   1.0460   3.0650   1.1360 1.705000 1.545000 
1 1 1   43    3   18 o   4.1960   0.7242   5.6210   0.9185   2.7700   1.1200 2.851000 1.448000 
1 1 1   43    3   19 o   2.5550   0.7498   3.0600   1.1570   2.0500   0.9539 1.010000 1.500000 
1 1 1   43    3   20 o   2.7110   0.7895   2.7330   1.1220   2.6900   1.1110 0.4255000E-01 1.579000 
1 1 1   43    3   21 o   3.1140   0.8482   3.6060   1.2870   2.6220   1.1050 0.9841000 1.696000 
1 1 1   43    3   22 o   2.3110   0.7502   2.1090   0.9816   2.5120   1.1350 -0.4025000 1.500000 
1 1 1   43    3   23 o   2.2330   0.7210   2.0150   0.9499   2.4520   1.0850 -0.4376000 1.442000 
1 1 1   43    5    0 o   7.2360   0.3718   7.4450   0.6126   7.0260   0.4214 0.4187000 0.7436000 
1 1 1   43    5    1 o   5.9140   0.3814   5.3830   0.5906   6.4460   0.4828 -1.063000 0.7628000 
1 1 1   43    5    2 o   14.210   0.2713   14.440   0.4133   13.990   0.3516 0.4485000 0.5426000 
1 1 1   43    5    3 o   5.3100   0.4484   5.2170   0.6351   5.4030   0.6333 -0.1861000 0.8968000 
1 1 1   43    5    4 o   10.930   0.2463   10.880   0.3424   10.990   0.3541 -0.1185000 0.4926000 
1 1 1   43    5    5 o   16.970   0.2029   16.850   0.2868   17.090   0.2871 -0.2423000 0.4058000 
1 1 1   43    5    6 o   3.7620   0.6666   2.9470   1.0130   4.5780   0.8668 -1.631000 1.333000 
1 1 1   43    5    7 o   8.6210   0.3317   8.1930   0.4834   9.0480   0.4545 -0.8552000 0.6635000 
1 1 1   43    5    8 o   13.140   0.2678   13.140   0.3986   13.150   0.3579 -0.1313000E-01 0.5357000 
1 1 1   43    5    9 o   5.8150   0.5177   5.7200   0.7471   5.9100   0.7168 -0.1905000 1.035000 
1 1 1   43    5   10 o   6.6230   0.5973   6.3910   0.8958   6.8560   0.7902 -0.4656000 1.195000 
1 1 1   43    5   11 o   2.2660   0.6976   2.3740   1.0080   2.1580   0.9648 0.2163000 1.395000 
1 1 1   43    5   12 o   7.7250   0.4339   8.5910   0.5410   6.8580   0.6786 1.733000 0.8679000 
1 1 1   43    5   13 f   3.3450   1.1080   3.3450   1.1080  ?   ?       ?      ? 
1 1 1   43    5   14 o   2.7860   0.8623   2.1830   0.9877   3.3890   1.4140 -1.206000 1.725000 
1 1 1   43    5   15 o   3.5160   0.9173   2.5990   1.0260   4.4330   1.5210 -1.835000 1.835000 
1 1 1   43    5   16 o   2.9850   0.8827   2.3030   0.9789   3.6670   1.4690 -1.364000 1.765000 
1 1 1   43    5   17 o   3.4120   0.8169   3.6280   1.0540   3.1960   1.2480 0.4322000 1.634000 
1 1 1   43    5   18 o   2.8980   0.7925   2.4900   1.0730   3.3060   1.1660 -0.8165000 1.585000 
1 1 1   43    5   19 o   1.9350   0.6490   2.1110   0.9759   1.7600   0.8559 0.3508000 1.298000 
1 1 1   43    5   20 o   2.4130   0.7401   1.9970   0.9435   2.8300   1.1400 -0.8327000 1.480000 
1 1 1   43    5   21 o   2.1910   0.7077   1.7880   0.8831   2.5940   1.1060 -0.8057000 1.415000 
1 1 1   43    5   22 o   2.4670   0.7807   2.3590   1.0520   2.5760   1.1540 -0.2167000 1.561000 
1 1 1   43    5   23 o   1.6520   0.5789   1.7290   0.8489   1.5760   0.7872 0.1523000 1.158000 
1 1 1   43    7    0 f   27.010   0.2009   27.220   0.3203   26.790   0.2424 0.4232000 0.4017000 
1 1 1   43    7    1 o   9.3100   0.3126   9.3990   0.4467   9.2200   0.4374 0.1791000 0.6252000 
1 1 1   43    7    2 o   9.7920   0.2489   9.6610   0.3587   9.9240   0.3453 -0.2631000 0.4979000 
1 1 1   43    7    3 f   3.0150   0.6525   2.4680   0.9425   3.5620   0.9025 -1.094000 1.305000 
1 1 1   43    7    4 o   3.9420   0.6217   3.7070   0.9159   4.1770   0.8409 -0.4701000 1.243000 
1 1 1   43    7    5 o   13.220   0.2323   13.150   0.3239   13.290   0.3330 -0.1461000 0.4646000 
1 1 1   43    7    6 o   15.230   0.2359   14.990   0.3513   15.460   0.3149 -0.4616000 0.4717000 
1 1 1   43    7    7 o   9.3230   0.3348   9.1840   0.5008   9.4620   0.4445 -0.2784000 0.6696000 
1 1 1   43    7    8 o   3.9420   0.7120   3.8210   1.0270   4.0620   0.9859 -0.2407000 1.424000 
1 1 1   43    7    9 o   6.2650   0.6251   6.5460   0.8505   5.9840   0.9163 0.5619000 1.250000 
1 1 1   43    7   10 o   10.050   0.3839   9.5610   0.6245   10.530   0.4466 -0.9709000 0.7677000 
1 1 1   43    7   11 o   4.0850   0.7018   2.9910   1.1060   5.1780   0.8645 -2.187000 1.404000 
1 1 1   43    7   12 o   1.9570   0.6547   1.7530   0.8455   2.1600   0.9998 -0.4067000 1.309000 
1 1 1   43    7   13 f   6.0510   0.5669   5.4110   0.8937   6.6910   0.6977 -1.280000 1.134000 
1 1 1   43    7   14 o   3.1440   0.8611   3.7290   1.3090   2.5590   1.1200 1.170000 1.722000 
1 1 1   43    7   15 o   3.3560   0.7955   2.8870   1.1280   3.8250   1.1210 -0.9386000 1.591000 
1 1 1   43    7   16 o   3.6480   0.8671   3.8480   1.1550   3.4480   1.2940 0.3997000 1.734000 
1 1 1   43    7   17 o   2.6180   0.7874   3.0730   1.1570   2.1640   1.0680 0.9095000 1.575000 
1 1 1   43    7   18 o   3.8510   0.9316   3.7020   1.0650   4.0000   1.5290 -0.2985000 1.863000 
1 1 1   43    7   19 o   2.2170   0.7612   1.5510   0.7636   2.8820   1.3170 -1.331000 1.522000 
1 1 1   43    7   20 o   3.1720   0.9228   2.2500   1.0140   4.0950   1.5420 -1.845000 1.846000 
1 1 1   43    7   21 o   2.8600   0.8919   2.2320   1.0180   3.4870   1.4650 -1.255000 1.784000 
1 1 1   43    7   22 o   2.4150   0.7499   2.4080   1.0430   2.4220   1.0770 -0.1385000E-01 1.500000 
1 1 1   43    9    0 o   2.7260   0.7056   3.0310   1.0540   2.4220   0.9383 0.6097000 1.411000 
1 1 1   43    9    1 o   2.6210   0.6478   2.7230   0.9419   2.5190   0.8895 0.2046000 1.296000 
1 1 1   43    9    2 o   8.0620   0.3038   8.3310   0.4189   7.7920   0.4401 0.5395000 0.6076000 
1 1 1   43    9    3 f   8.8670   0.2837   8.9230   0.4032   8.8110   0.3994 0.1117000 0.5675000 
1 1 1   43    9    4 o   9.3910   0.3065   9.6190   0.4438   9.1630   0.4229 0.4556000 0.6130000 
1 1 1   43    9    5 o   14.710   0.2381   14.230   0.3590   15.190   0.3128 -0.9621000 0.4761000 
1 1 1   43    9    6 o   9.8960   0.2929   9.7480   0.4105   10.040   0.4180 -0.2949000 0.5858000 
1 1 1   43    9    7 o   5.7070   0.5098   5.0720   0.7922   6.3420   0.6420 -1.270000 1.020000 
1 1 1   43    9    8 o   7.6100   0.4514   7.5320   0.5525   7.6880   0.7141 -0.1559000 0.9029000 
1 1 1   43    9    9 o   8.4050   0.4760   8.3780   0.6687   8.4320   0.6776 -0.5446000E-01 0.9520000 
1 1 1   43    9   10 o   6.8880   0.4976   6.5820   0.6791   7.1940   0.7275 -0.6123000 0.9953000 
1 1 1   43    9   11 o   9.6530   0.3778   9.1670   0.5120   10.140   0.5558 -0.9734000 0.7557000 
1 1 1   43    9   12 o   4.9660   0.6681   6.1730   0.7510   3.7600   1.1050 2.413000 1.336000 
1 1 1   43    9   13 o   5.4650   0.7516   5.7140   1.0460   5.2160   1.0790 0.4980000 1.503000 
1 1 1   43    9   14 o   3.7150   0.7110   5.0370   0.9837   2.3930   1.0270 2.644000 1.422000 
1 1 1   43    9   15 o   4.0520   0.7982   3.7630   1.1750   4.3400   1.0810 -0.5769000 1.596000 
1 1 1   43    9   16 o   2.2130   0.6977   1.8270   0.8830   2.6000   1.0800 -0.7731000 1.395000 
1 1 1   43    9   17 o   4.2300   0.8081   4.1260   1.1640   4.3330   1.1220 -0.2070000 1.616000 
1 1 1   43    9   18 o   2.4000   0.7499   2.4300   1.0720   2.3690   1.0490 0.6051000E-01 1.500000 
1 1 1   43    9   19 o   2.6650   0.8028   2.5280   1.1290   2.8020   1.1410 -0.2741000 1.606000 
1 1 1   43    9   20 o   2.5850   0.7824   2.8790   1.1650   2.2910   1.0450 0.5874000 1.565000 
1 1 1   43    9   21 o   2.0490   0.7059   1.9470   0.9590   2.1510   1.0360 -0.2035000 1.412000 
1 1 1   43    9   22 o   2.0500   1.0150   2.0500   1.0150  ?   ?       ?      ? 
1 1 1   43   11    0 o   8.0700   0.2998   8.4890   0.4469   7.6520   0.3999 0.8370000 0.5997000 
1 1 1   43   11    1 o   17.990   0.2120   17.870   0.3187   18.110   0.2796 -0.2440000 0.4239000 
1 1 1   43   11    2 o   5.9960   0.4395   6.0520   0.6474   5.9410   0.5945 0.1114000 0.8790000 
1 1 1   43   11    3 o   11.880   0.2369   11.860   0.3479   11.890   0.3215 -0.2864000E-01 0.4738000 
1 1 1   43   11    4 o   8.6260   0.3232   8.4930   0.4547   8.7590   0.4595 -0.2661000 0.6464000 
1 1 1   43   11    5 o   7.0340   0.3866   7.2350   0.5210   6.8330   0.5714 0.4023000 0.7733000 
1 1 1   43   11    6 o   12.750   0.2511   12.900   0.3566   12.590   0.3537 0.3010000 0.5023000 
1 1 1   43   11    7 o   4.5780   0.7976   4.2290   1.1700   4.9270   1.0840 -0.6980000 1.595000 
1 1 1   43   11    8 o   3.7230   0.9259   2.9060   1.1780   4.5400   1.4290 -1.634000 1.852000 
1 1 1   43   11    9 o   4.4530   0.7290   4.4210   0.9720   4.4860   1.0870 -0.6556000E-01 1.458000 
1 1 1   43   11   10 o   3.1630   0.7401   2.4420   1.0200   3.8840   1.0720 -1.442000 1.480000 
1 1 1   43   11   11 o   3.4080   0.7754   3.7570   1.0770   3.0590   1.1150 0.6978000 1.551000 
1 1 1   43   11   12 o   7.5870   0.5549   7.5300   0.8083   7.6430   0.7603 -0.1129000 1.110000 
1 1 1   43   11   13 o   2.5840   0.7970   2.4080   1.0930   2.7600   1.1600 -0.3519000 1.594000 
1 1 1   43   11   14 o   4.3940   0.7368   3.7260   1.1300   5.0610   0.9457 -1.335000 1.474000 
1 1 1   43   11   15 o   3.3410   0.7886   3.9510   1.1270   2.7310   1.1040 1.220000 1.577000 
1 1 1   43   11   16 o   2.3490   0.7296   2.3180   1.0240   2.3800   1.0400 -0.6134000E-01 1.459000 
1 1 1   43   11   17 o   2.5490   0.7673   2.6960   1.1140   2.4020   1.0550 0.2942000 1.535000 
1 1 1   43   11   18 o   6.1130   0.6824   5.6570   1.1020   6.5690   0.8046 -0.9121000 1.365000 
1 1 1   43   11   19 o   2.3790   0.7497   2.3100   1.0470   2.4470   1.0730 -0.1362000 1.499000 
1 1 1   43   11   20 o   2.5510   0.8194   3.1090   1.3160   1.9930   0.9763 1.116000 1.639000 
1 1 1   43   11   21 o   2.4270   0.8189   2.6170   1.2130   2.2360   1.1010 0.3815000 1.638000 
1 1 1   43   13    0 o   9.9450   0.2576   10.090   0.3830   9.8040   0.3445 0.2817000 0.5151000 
1 1 1   43   13    1 o   6.0230   0.4187   5.9370   0.6238   6.1090   0.5588 -0.1723000 0.8375000 
1 1 1   43   13    2 o   3.0300   0.6994   3.0550   1.0070   3.0050   0.9710 0.4932000E-01 1.399000 
1 1 1   43   13    3 o   8.6140   0.3136   8.8080   0.4462   8.4210   0.4407 0.3877000 0.6272000 
1 1 1   43   13    4 f   5.3670   0.4969   5.1540   0.7486   5.5790   0.6537 -0.4253000 0.9938000 
1 1 1   43   13    5 o   6.5700   0.4415   6.2990   0.6485   6.8410   0.5993 -0.5422000 0.8830000 
1 1 1   43   13    6 o   13.020   0.3962   13.130   0.4734   12.900   0.6355 0.2267000 0.7924000 
1 1 1   43   13    7 o   15.080   0.2686   14.970   0.3554   15.200   0.4028 -0.2352000 0.5371000 
1 1 1   43   13    8 o   6.1810   0.4968   6.2660   0.6938   6.0960   0.7112 0.1697000 0.9936000 
1 1 1   43   13    9 o   7.9930   0.4010   7.7050   0.5900   8.2810   0.5432 -0.5758000 0.8020000 
1 1 1   43   13   10 o   9.4410   0.3600   9.6610   0.4946   9.2210   0.5231 0.4399000 0.7199000 
1 1 1   43   13   11 o   6.2570   0.6856   5.7830   1.0720   6.7300   0.8549 -0.9469000 1.371000 
1 1 1   43   13   12 o   3.1180   0.7541   3.9220   1.1170   2.3130   1.0130 1.610000 1.508000 
1 1 1   43   13   13 o   5.4360   0.6497   6.5100   0.7516   4.3610   1.0600 2.149000 1.299000 
1 1 1   43   13   14 o   4.2250   0.7757   4.0160   1.1320   4.4340   1.0610 -0.4184000 1.551000 
1 1 1   43   13   15 o   2.5000   0.7486   2.2210   1.0010   2.7790   1.1130 -0.5578000 1.497000 
1 1 1   43   13   16 o   2.1200   0.6950   2.3300   1.0520   1.9090   0.9089 0.4204000 1.390000 
1 1 1   43   13   17 o   2.4950   0.7713   2.4570   1.0930   2.5320   1.0880 -0.7433000E-01 1.543000 
1 1 1   43   13   18 o   3.7650   0.8371   3.8170   1.1750   3.7140   1.1920 0.1038000 1.674000 
1 1 1   43   13   19 o   1.9920   0.6863   1.9980   0.9714   1.9850   0.9697 0.1287000E-01 1.373000 
1 1 1   43   15    0 o   11.430   0.2493   11.480   0.3681   11.380   0.3363 0.1016000 0.4986000 
1 1 1   43   15    1 o   3.6330   0.6665   3.7610   0.9553   3.5060   0.9298 0.2551000 1.333000 
1 1 1   43   15    2 o   5.9250   0.4849   6.8890   0.5706   4.9620   0.7842 1.927000 0.9698000 
1 1 1   43   15    3 f   3.6210   0.7169   3.9870   0.9806   3.2560   1.0460 0.7308000 1.434000 
1 1 1   43   15    4 o   4.0180   0.8172   3.6050   1.2000   4.4310   1.1090 -0.8255000 1.634000 
1 1 1   43   15    5 o   7.0050   0.4343   6.7920   0.6452   7.2180   0.5814 -0.4258000 0.8685000 
1 1 1   43   15    6 o   7.9020   0.3812   8.5680   0.5213   7.2350   0.5564 1.333000 0.7625000 
1 1 1   43   15    7 o   3.6570   0.7612   4.0370   1.0460   3.2770   1.1060 0.7601000 1.522000 
1 1 1   43   15    8 o   4.8300   0.6608   3.7070   1.0870   5.9530   0.7524 -2.246000 1.322000 
1 1 1   43   15    9 o   6.2950   0.5641   4.8530   0.9576   7.7360   0.5966 -2.883000 1.128000 
1 1 1   43   15   10 o   2.5550   0.7995   2.5640   1.1490   2.5450   1.1120 0.1973000E-01 1.599000 
1 1 1   43   15   11 o   2.6770   0.7465   2.1390   0.9734   3.2140   1.1320 -1.076000 1.493000 
1 1 1   43   15   12 o   2.8650   0.7902   2.9770   1.1370   2.7540   1.0980 0.2230000 1.580000 
1 1 1   43   15   13 o   2.0760   0.6758   2.2950   1.0230   1.8570   0.8839 0.4387000 1.352000 
1 1 1   43   15   14 o   2.5570   0.7575   2.3800   1.0490   2.7350   1.0930 -0.3548000 1.515000 
1 1 1   43   15   15 o   3.8340   0.8416   3.4790   1.2530   4.1880   1.1240 -0.7088000 1.683000 
1 1 1   43   15   16 o   2.8500   0.8031   3.1120   1.1750   2.5880   1.0960 0.5239000 1.606000 
1 1 1   43   15   17 o   2.2660   0.7229   2.4750   1.0770   2.0570   0.9641 0.4178000 1.446000 
1 1 1   43   15   18 o   2.6160   0.8324   2.7140   1.2060   2.5170   1.1480 0.1978000 1.665000 
1 1 1   43   17    0 o   7.3480   0.4187   7.4610   0.5533   7.2350   0.6286 0.2256000 0.8374000 
1 1 1   43   17    1 o   7.1150   0.4990   6.8150   0.7794   7.4160   0.6235 -0.6010000 0.9981000 
1 1 1   43   17    2 o   10.530   0.3344   10.880   0.5354   10.180   0.4009 0.6974000 0.6689000 
1 1 1   43   17    3 o   5.5170   0.5193   5.4760   0.7844   5.5590   0.6809 -0.8257000E-01 1.039000 
1 1 1   43   17    4 o   2.7450   0.7204   3.2940   1.0920   2.1960   0.9398 1.098000 1.441000 
1 1 1   43   17    5 o   6.9270   0.4329   7.0380   0.6384   6.8170   0.5850 0.2207000 0.8659000 
1 1 1   43   17    6 o   5.5020   0.5681   5.9150   0.7663   5.0880   0.8389 0.8272000 1.136000 
1 1 1   43   17    7 o   3.6300   0.7679   3.9110   1.0820   3.3490   1.0900 0.5613000 1.536000 
1 1 1   43   17    8 o   3.1060   0.8381   3.8840   1.2920   2.3280   1.0680 1.556000 1.676000 
1 1 1   43   17    9 o   2.6290   0.7110   3.4970   1.1400   1.7600   0.8498 1.737000 1.422000 
1 1 1   43   17   10 f   3.5460   0.8038   3.1830   1.1540   3.9080   1.1190 -0.7256000 1.608000 
1 1 1   43   17   11 o   3.2400   0.8145   3.0690   1.1540   3.4100   1.1500 -0.3410000 1.629000 
1 1 1   43   17   12 o   2.6630   0.7717   2.2960   1.0440   3.0300   1.1360 -0.7338000 1.543000 
1 1 1   43   17   13 o   2.1630   0.7068   2.1350   1.0050   2.1900   0.9938 -0.5511000E-01 1.414000 
1 1 1   43   17   14 o   3.6650   0.7835   2.8120   1.1380   4.5180   1.0770 -1.705000 1.567000 
1 1 1   43   17   15 o   2.4310   0.7463   2.6950   1.1200   2.1670   0.9869 0.5274000 1.493000 
1 1 1   43   17   16 o   2.9310   0.7954   3.5380   1.2100   2.3250   1.0330 1.213000 1.591000 
1 1 1   43   19    0 o   3.7510   0.7030   3.1550   1.0880   4.3470   0.8907 -1.192000 1.406000 
1 1 1   43   19    1 o   4.2350   0.6769   3.9640   1.0420   4.5060   0.8639 -0.5414000 1.354000 
1 1 1   43   19    2 o   2.9970   0.7252   3.6730   1.0830   2.3210   0.9646 1.352000 1.450000 
1 1 1   43   19    3 o   2.7000   0.7080   2.1740   0.9666   3.2260   1.0350 -1.052000 1.416000 
1 1 1   43   19    4 o   3.1410   0.7598   3.0700   1.0990   3.2130   1.0500 -0.1432000 1.520000 
1 1 1   43   19    5 o   2.7930   0.7884   2.3750   1.0840   3.2120   1.1450 -0.8362000 1.577000 
1 1 1   43   19    6 o   2.7530   0.8050   3.3090   1.2670   2.1970   0.9937 1.112000 1.610000 
1 1 1   43   19    7 o   3.5160   0.7775   3.2330   1.1360   3.8000   1.0620 -0.5670000 1.555000 
1 1 1   43   19    8 o   3.6620   0.7816   3.0870   1.1430   4.2370   1.0670 -1.150000 1.563000 
1 1 1   43   19    9 o   1.7080   0.5895   1.8450   0.8871   1.5700   0.7766 0.2747000 1.179000 
1 1 1   43   19   10 o   2.8230   0.8050   2.4540   1.0910   3.1920   1.1840 -0.7385000 1.610000 
1 1 1   43   19   11 o   3.9800   0.8219   3.9180   1.1680   4.0420   1.1570 -0.1247000 1.644000 
1 1 1   43   19   12 o   3.4370   0.8390   3.3640   1.1850   3.5110   1.1880 -0.1472000 1.678000 
1 1 1   43   19   13 f   2.3440   0.7062   3.1340   1.1720   1.5540   0.7888 1.580000 1.412000 
1 1 1   43   19   14 o   4.1340   0.7988   4.7800   1.0660   3.4870   1.1900 1.294000 1.598000 
1 1 1   43   21    0 o   6.5540   0.4663   6.5840   0.6940   6.5250   0.6228 0.5941000E-01 0.9325000 
1 1 1   43   21    1 o   3.5080   0.7612   3.8500   1.0990   3.1670   1.0530 0.6824000 1.522000 
1 1 1   43   21    2 o   2.4590   0.7338   1.9100   0.9323   3.0080   1.1330 -1.098000 1.468000 
1 1 1   43   21    3 o   3.4100   0.8649   3.7280   1.2970   3.0920   1.1440 0.6362000 1.730000 
1 1 1   43   21    4 o   4.6810   0.6779   3.6240   1.1390   5.7370   0.7352 -2.113000 1.356000 
1 1 1   43   21    5 f   2.6150   0.7357   2.2730   1.0080   2.9570   1.0720 -0.6840000 1.471000 
1 1 1   43   21    6 o   3.2610   0.7834   4.2460   1.2010   2.2750   1.0060 1.971000 1.567000 
1 1 1   43   21    7 o   4.3310   0.8176   4.9740   1.1520   3.6870   1.1610 1.287000 1.635000 
1 1 1   43   21    8 o   3.1310   0.8039   3.3760   1.1690   2.8850   1.1030 0.4914000 1.608000 
1 1 1   43   21    9 o   2.8660   0.7785   3.3650   1.1680   2.3680   1.0300 0.9969000 1.557000 
1 1 1   43   21   10 o   1.7140   0.5922   1.7060   0.8367   1.7210   0.8382 -0.1425000E-01 1.184000 
1 1 1   43   21   11 f   2.9800   0.7831   3.6460   1.1860   2.3130   1.0230 1.333000 1.566000 
1 1 1   43   23    0 o   1.9890   0.6609   2.3120   1.0450   1.6650   0.8100 0.6468000 1.322000 
1 1 1   43   23    1 o   2.3040   0.7287   2.3760   1.0690   2.2310   0.9901 0.1445000 1.457000 
1 1 1   43   23    2 o   4.5150   0.7821   4.8230   1.1380   4.2070   1.0730 0.6165000 1.564000 
1 1 1   43   23    3 o   1.9280   0.6393   2.0580   0.9540   1.7980   0.8512 0.2595000 1.279000 
1 1 1   43   23    4 o   2.4740   0.7392   2.5950   1.0900   2.3530   0.9985 0.2423000 1.478000 
1 1 1   43   23    5 o   3.4540   0.7886   4.0450   1.1550   2.8640   1.0750 1.182000 1.577000 
1 1 1   43   23    6 o   1.6850   0.5813   1.7410   0.8482   1.6280   0.7952 0.1123000 1.163000 
1 1 1   43   23    7 o   2.5150   0.7431   2.8540   1.1240   2.1760   0.9724 0.6780000 1.486000 
1 1 1   43   23    8 o   1.8830   0.6572   1.9070   0.9404   1.8580   0.9183 0.4914000E-01 1.314000 
1 1 1   43   25    0 o   2.4550   0.6950   1.9520   0.9136   2.9580   1.0480 -1.006000 1.390000 
1 1 1   43   25    1 o   1.6230   0.5625   1.6590   0.8157   1.5870   0.7749 0.7197000E-01 1.125000 
1 1 1   44    0    0 o   32.680   0.2992   32.680   0.2992   32.680   0.2992 0.000000 0.000000 
1 1 1   44    0    1 o   3.8900   1.6980   3.8900   1.6980   3.8900   1.6980 0.000000 0.000000 
1 1 1   44    0    2 o   11.320   0.3306   11.320   0.3306   11.320   0.3306 0.000000 0.000000 
1 1 1   44    0    3 f   2.6160   1.1860   2.6160   1.1860   2.6160   1.1860 0.000000 0.000000 
1 1 1   44    0    4 f   5.2520   0.6955   5.2520   0.6955   5.2520   0.6955 0.000000 0.000000 
1 1 1   44    0    5 o   18.390   0.2819   18.390   0.2819   18.390   0.2819 0.000000 0.000000 
1 1 1   44    0    6 f   1.9170   1.1360   1.9170   1.1360   1.9170   1.1360 0.000000 0.000000 
1 1 1   44    0    7 o   8.9700   0.4525   8.9700   0.4525   8.9700   0.4525 0.000000 0.000000 
1 1 1   44    0    8 o   8.8820   0.4727   8.8820   0.4727   8.8820   0.4727 0.000000 0.000000 
1 1 1   44    0    9 o   1.4310   1.0200   1.4310   1.0200   1.4310   1.0200 0.000000 0.000000 
1 1 1   44    0   10 o   1.8120   1.2280   1.8120   1.2280   1.8120   1.2280 0.000000 0.000000 
1 1 1   44    0   11 o   7.8290   0.9736   7.8290   0.9736   7.8290   0.9736 0.000000 0.000000 
1 1 1   44    0   12 o   5.1240   1.6060   5.1240   1.6060   5.1240   1.6060 0.000000 0.000000 
1 1 1   44    0   13 f   8.3900   0.7021   8.3900   0.7021   8.3900   0.7021 0.000000 0.000000 
1 1 1   44    0   14 o   4.8520   1.8550   4.8520   1.8550   4.8520   1.8550 0.000000 0.000000 
1 1 1   44    0   15 o   1.8980   1.1850   1.8980   1.1850   1.8980   1.1850 0.000000 0.000000 
1 1 1   44    0   16 f   1.2190   0.8677   1.2190   0.8677   1.2190   0.8677 0.000000 0.000000 
1 1 1   44    0   17 o   4.8060   1.1360   4.8060   1.1360   4.8060   1.1360 0.000000 0.000000 
1 1 1   44    0   18 o   4.6750   1.2230   4.6750   1.2230   4.6750   1.2230 0.000000 0.000000 
1 1 1   44    0   19 o   2.8330   1.4160   2.8330   1.4160   2.8330   1.4160 0.000000 0.000000 
1 1 1   44    0   20 o   2.2920   1.3260   2.2920   1.3260   2.2920   1.3260 0.000000 0.000000 
1 1 1   44    0   21 o   1.9500   1.2670   1.9500   1.2670   1.9500   1.2670 0.000000 0.000000 
1 1 1   44    0   22 o   1.5390   1.0520   1.5390   1.0520   1.5390   1.0520 0.000000 0.000000 
1 1 1   44    0   23 f   1.6820   1.1230   1.6820   1.1230   1.6820   1.1230 0.000000 0.000000 
1 1 1   44    2    0 o   10.830   0.2558   11.010   0.3725   10.660   0.3506 0.3444000 0.5116000 
1 1 1   44    2    1 o   5.2620   0.4792   5.9360   0.6674   4.5880   0.6879 1.348000 0.9584000 
1 1 1   44    2    2 o   13.120   0.3565   12.540   0.6121   13.710   0.3655 -1.171000 0.7129000 
1 1 1   44    2    3 o   11.710   0.2671   11.670   0.4250   11.750   0.3235 -0.7163000E-01 0.5341000 
1 1 1   44    2    4 o   2.8560   0.7437   3.4280   1.1530   2.2840   0.9396 1.144000 1.487000 
1 1 1   44    2    5 o   7.6710   0.3532   8.0130   0.4862   7.3290   0.5124 0.6836000 0.7063000 
1 1 1   44    2    6 o   6.2980   0.4844   5.9890   0.7634   6.6080   0.5965 -0.6196000 0.9688000 
1 1 1   44    2    7 o   12.220   0.3429   12.050   0.5828   12.380   0.3616 -0.3276000 0.6859000 
1 1 1   44    2    8 o   3.7560   0.8491   4.1150   1.3360   3.3970   1.0480 0.7177000 1.698000 
1 1 1   44    2    9 o   5.4670   0.7286   5.4320   1.2350   5.5020   0.7737 -0.7028000E-01 1.457000 
1 1 1   44    2   10 o   10.990   0.3684   11.200   0.5294   10.780   0.5125 0.4284000 0.7368000 
1 1 1   44    2   11 o   5.3310   0.6006   5.4220   0.8316   5.2400   0.8669 0.1826000 1.201000 
1 1 1   44    2   12 o   2.6330   0.8003   2.6970   1.0710   2.5680   1.1890 0.1285000 1.601000 
1 1 1   44    2   13 o   4.6730   0.8808   4.5850   1.0050   4.7620   1.4470 -0.1764000 1.762000 
1 1 1   44    2   14 o   2.5970   1.2250   2.5970   1.2250  ?   ?       ?      ? 
1 1 1   44    2   15 o   3.1530   0.9000   2.4170   1.0440   3.8890   1.4660 -1.472000 1.800000 
1 1 1   44    2   16 f   3.5570   0.8628   3.2620   1.1450   3.8520   1.2910 -0.5899000 1.726000 
1 1 1   44    2   17 o   2.1620   0.6967   2.0160   0.9443   2.3080   1.0250 -0.2913000 1.393000 
1 1 1   44    2   18 f   5.2660   0.6865   5.1430   0.9963   5.3890   0.9446 -0.2452000 1.373000 
1 1 1   44    2   19 o   2.7420   0.7795   3.1360   1.1640   2.3470   1.0360 0.7891000 1.559000 
1 1 1   44    2   20 o   2.2290   0.7130   2.1940   0.9998   2.2630   1.0170 -0.6875000E-01 1.426000 
1 1 1   44    2   21 o   2.4470   0.7692   2.3970   1.0920   2.4980   1.0840 -0.1016000 1.538000 
1 1 1   44    2   22 f   2.4410   0.7777   2.2880   1.0360   2.5930   1.1600 -0.3052000 1.555000 
1 1 1   44    2   23 o   2.3830   0.7502   2.3020   1.0420   2.4640   1.0790 -0.1620000 1.500000 
1 1 1   44    4    0 o   19.250   0.1972   19.220   0.3113   19.270   0.2422 -0.5251000E-01 0.3945000 
1 1 1   44    4    1 o   12.930   0.2312   12.700   0.3713   13.160   0.2757 -0.4559000 0.4624000 
1 1 1   44    4    2 o   7.6660   0.5650   7.5300   0.9987   7.8010   0.5286 -0.2714000 1.130000 
1 1 1   44    4    3 o   4.5640   0.6089   5.1560   0.8845   3.9720   0.8372 1.184000 1.218000 
1 1 1   44    4    4 o   4.2530   0.7231   5.0150   1.1000   3.4910   0.9386 1.524000 1.446000 
1 1 1   44    4    5 o   2.6870   0.7593   3.5150   1.2590   1.8580   0.8489 1.657000 1.519000 
1 1 1   44    4    6 o   13.460   0.3131   12.950   0.5342   13.970   0.3267 -1.014000 0.6262000 
1 1 1   44    4    7 o   7.8320   0.4736   7.6950   0.7991   7.9690   0.5084 -0.2738000 0.9472000 
1 1 1   44    4    8 o   7.5020   0.5500   6.6900   0.9773   8.3140   0.5049 -1.624000 1.100000 
1 1 1   44    4    9 o   6.5610   0.5149   6.7950   0.7844   6.3280   0.6672 0.4666000 1.030000 
1 1 1   44    4   10 f   8.1210   0.4825   7.8040   0.7105   8.4380   0.6531 -0.6334000 0.9651000 
1 1 1   44    4   11 o   5.6100   0.5595   5.7190   0.7704   5.5010   0.8115 0.2181000 1.119000 
1 1 1   44    4   12 o   2.7260   0.7501   2.3470   1.0130   3.1040   1.1070 -0.7573000 1.500000 
1 1 1   44    4   13 o   2.4280   0.7466   1.8200   0.8873   3.0350   1.2010 -1.215000 1.493000 
1 1 1   44    4   14 o   5.8030   0.7632   6.8640   0.9233   4.7430   1.2150 2.121000 1.526000 
1 1 1   44    4   15 o   2.8990   0.8254   2.5890   1.0800   3.2100   1.2480 -0.6212000 1.651000 
1 1 1   44    4   16 o   2.6160   0.8316   2.3600   1.0360   2.8720   1.3010 -0.5124000 1.663000 
1 1 1   44    4   17 o   2.7700   0.8664   2.4110   1.0570   3.1290   1.3730 -0.7175000 1.733000 
1 1 1   44    4   18 o   3.8880   0.9594   3.6230   1.1840   4.1530   1.5100 -0.5295000 1.919000 
1 1 1   44    4   19 o   3.9620   0.9716   3.3600   1.1890   4.5640   1.5370 -1.204000 1.943000 
1 1 1   44    4   20 o   2.5420   0.7800   2.8890   1.1630   2.1950   1.0390 0.6949000 1.560000 
1 1 1   44    4   21 o   1.9850   0.6795   2.2460   1.0480   1.7240   0.8649 0.5224000 1.359000 
1 1 1   44    4   22 o   2.5620   0.7744   2.8240   1.1440   2.3000   1.0440 0.5237000 1.549000 
1 1 1   44    6    0 o   11.670   0.1893   11.770   0.2778   11.570   0.2571 0.2021000 0.3785000 
1 1 1   44    6    1 o   2.9710   0.7230   3.1730   1.0280   2.7690   1.0170 0.4041000 1.446000 
1 1 1   44    6    2 o   14.980   0.2656   15.270   0.4098   14.690   0.3380 0.5731000 0.5312000 
1 1 1   44    6    3 f   6.1740   0.4094   5.6020   0.6489   6.7460   0.4993 -1.144000 0.8187000 
1 1 1   44    6    4 o   5.9260   0.4505   5.7660   0.6844   6.0860   0.5860 -0.3201000 0.9010000 
1 1 1   44    6    5 o   14.450   0.2253   13.760   0.3236   15.150   0.3135 -1.396000 0.4506000 
1 1 1   44    6    6 f   3.8950   0.6819   3.3540   1.0200   4.4360   0.9048 -1.082000 1.364000 
1 1 1   44    6    7 o   3.0580   1.0530  ?   ?    3.0580   1.0530      ?      ? 
1 1 1   44    6    8 o   11.270   0.2779   11.220   0.3969   11.310   0.3892 -0.8889000E-01 0.5559000 
1 1 1   44    6    9 o   9.2820   0.3834   8.9520   0.5093   9.6130   0.5731 -0.6607000 0.7667000 
1 1 1   44    6   10 o   6.9990   0.5435   6.3870   0.9106   7.6110   0.5937 -1.224000 1.087000 
1 1 1   44    6   11 o   2.5590   0.7415   2.5400   1.0460   2.5780   1.0520 -0.3778000E-01 1.483000 
1 1 1   44    6   12 o   5.5010   0.6569   5.5980   0.8237   5.4030   1.0240 0.1946000 1.314000 
1 1 1   44    6   13 o   3.3350   0.7738   2.8000   1.0820   3.8690   1.1060 -1.068000 1.548000 
1 1 1   44    6   14 o   3.1490   0.8710   3.0810   1.2310   3.2160   1.2320 -0.1354000 1.742000 
1 1 1   44    6   15 o   4.1210   0.7595   3.5890   1.1180   4.6540   1.0290 -1.065000 1.519000 
1 1 1   44    6   16 o   1.9560   0.6440   1.7290   0.8238   2.1830   0.9901 -0.4538000 1.288000 
1 1 1   44    6   17 o   1.8650   0.6254   1.4590   0.7235   2.2720   1.0200 -0.8137000 1.251000 
1 1 1   44    6   18 o   2.2400   0.6999   2.3870   1.0090   2.0920   0.9700 0.2954000 1.400000 
1 1 1   44    6   19 o   2.7960   0.8116   2.4110   1.0210   3.1800   1.2620 -0.7691000 1.623000 
1 1 1   44    6   20 o   3.5620   0.9366   3.7590   1.1790   3.3640   1.4560 0.3952000 1.873000 
1 1 1   44    6   21 o   2.9160   0.8519   3.3190   1.2050   2.5140   1.2040 0.8055000 1.704000 
1 1 1   44    6   22 o   2.3020   0.7627   2.1790   0.9822   2.4260   1.1670 -0.2469000 1.525000 
1 1 1   44    8    0 o   4.0780   0.6612   3.4840   1.1130   4.6720   0.7139 -1.188000 1.322000 
1 1 1   44    8    1 o   17.610   0.2478   17.000   0.4100   18.220   0.2786 -1.217000 0.4957000 
1 1 1   44    8    2 o   9.7310   0.2636   10.080   0.3816   9.3800   0.3637 0.7019000 0.5272000 
1 1 1   44    8    3 o   8.6260   0.2924   8.0810   0.4404   9.1710   0.3846 -1.091000 0.5847000 
1 1 1   44    8    4 o   5.3230   0.4808   6.0350   0.5914   4.6110   0.7581 1.424000 0.9615000 
1 1 1   44    8    5 o   6.0770   0.4568   6.3810   0.6331   5.7720   0.6586 0.6086000 0.9136000 
1 1 1   44    8    6 o   2.8220   0.7173   3.0240   1.0130   2.6190   1.0150 0.4053000 1.435000 
1 1 1   44    8    7 o   5.1480   0.5540   5.1940   0.7718   5.1020   0.7950 0.9124000E-01 1.108000 
1 1 1   44    8    8 o   7.4740   0.4072   6.7070   0.6305   8.2410   0.5154 -1.535000 0.8143000 
1 1 1   44    8    9 o   5.0080   0.7823   4.5750   1.1810   5.4420   1.0270 -0.8670000 1.565000 
1 1 1   44    8   10 o   9.8120   0.3354   9.3950   0.4890   10.230   0.4593 -0.8336000 0.6709000 
1 1 1   44    8   11 o   9.7660   0.3749   9.6500   0.4974   9.8820   0.5611 -0.2313000 0.7499000 
1 1 1   44    8   12 o   3.6790   0.7761   3.2960   1.1310   4.0610   1.0630 -0.7649000 1.552000 
1 1 1   44    8   13 o   4.3970   0.8871   4.9330   1.2500   3.8610   1.2590 1.072000 1.774000 
1 1 1   44    8   14 f   3.0150   0.8615   3.3610   1.2860   2.6700   1.1460 0.6906000 1.723000 
1 1 1   44    8   15 o   2.2120   0.6926   2.7380   1.1140   1.6850   0.8227 1.053000 1.385000 
1 1 1   44    8   16 o   3.5920   0.7493   4.7410   1.0690   2.4440   1.0500 2.296000 1.499000 
1 1 1   44    8   17 o   2.0110   0.6650   2.2670   1.0200   1.7550   0.8537 0.5120000 1.330000 
1 1 1   44    8   18 f   5.3150   0.6950   5.4070   0.9807   5.2230   0.9850 0.1834000 1.390000 
1 1 1   44    8   19 o   2.8780   0.8248   3.3940   1.2740   2.3620   1.0480 1.032000 1.650000 
1 1 1   44    8   20 o   2.9260   0.7981   2.8210   1.0930   3.0300   1.1630 -0.2088000 1.596000 
1 1 1   44    8   21 o   2.5060   0.7873   2.6360   1.1220   2.3770   1.1050 0.2581000 1.575000 
1 1 1   44   10    0 o   12.740   0.2124   12.840   0.3248   12.640   0.2738 0.1961000 0.4249000 
1 1 1   44   10    1 o   16.070   0.1908   15.600   0.2865   16.550   0.2521 -0.9503000 0.3816000 
1 1 1   44   10    2 o   6.6700   0.5104  ?   ?    6.6700   0.5104      ?      ? 
1 1 1   44   10    3 f   6.3790   0.4281   5.5280   0.6985   7.2300   0.4951 -1.701000 0.8562000 
1 1 1   44   10    4 o   9.8530   0.2832   9.1760   0.4185   10.530   0.3816 -1.355000 0.5664000 
1 1 1   44   10    5 o   3.7630   0.6728   3.2440   1.0040   4.2810   0.8965 -1.038000 1.346000 
1 1 1   44   10    6 f   5.2110   0.5486   4.2690   0.8974   6.1530   0.6312 -1.883000 1.097000 
1 1 1   44   10    7 o   6.3810   0.4513   6.1930   0.6631   6.5700   0.6123 -0.3768000 0.9025000 
1 1 1   44   10    8 o   2.2130   0.7186   2.1790   1.0050   2.2480   1.0270 -0.6947000E-01 1.437000 
1 1 1   44   10    9 o   5.0530   0.6641   4.4660   0.9584   5.6390   0.9195 -1.173000 1.328000 
1 1 1   44   10   10 o   6.5550   0.5341   7.0180   0.6223   6.0920   0.8681 0.9262000 1.068000 
1 1 1   44   10   11 o   3.4490   0.7463   2.7000   1.0660   4.1990   1.0450 -1.499000 1.493000 
1 1 1   44   10   12 o   4.1130   0.7375   3.3720   1.1170   4.8550   0.9632 -1.483000 1.475000 
1 1 1   44   10   13 o   3.3350   0.8636   2.9020   1.2100   3.7680   1.2320 -0.8652000 1.727000 
1 1 1   44   10   14 o   2.0910   0.6792   2.0910   0.9633   2.0910   0.9578 -0.7029000E-03 1.358000 
1 1 1   44   10   15 f   3.0440   0.7990   2.6510   1.1030   3.4380   1.1560 -0.7871000 1.598000 
1 1 1   44   10   16 o   2.2180   0.7074   2.4250   1.0580   2.0100   0.9391 0.4156000 1.415000 
1 1 1   44   10   17 o   3.2770   0.8235   3.7650   1.1990   2.7880   1.1290 0.9777000 1.647000 
1 1 1   44   10   18 o   3.1080   0.8387   3.7900   1.3010   2.4260   1.0590 1.364000 1.677000 
1 1 1   44   10   19 o   2.2340   0.7233   2.3110   1.0510   2.1570   0.9939 0.1539000 1.447000 
1 1 1   44   10   20 o   2.1670   0.7362   2.1350   1.0340   2.1990   1.0480 -0.6402000E-01 1.472000 
1 1 1   44   10   21 o   1.9360   0.6746   1.9780   0.9858   1.8930   0.9211 0.8523000E-01 1.349000 
1 1 1   44   12    0 o   11.580   0.2389   11.470   0.3503   11.700   0.3249 -0.2315000 0.4778000 
1 1 1   44   12    1 o   17.990   0.1922   18.500   0.2854   17.480   0.2575 1.018000 0.3844000 
1 1 1   44   12    2 o   2.3960   0.6749   2.6630   0.9980   2.1300   0.9087 0.5333000 1.350000 
1 1 1   44   12    3 o   3.6740   0.6679   4.0770   0.9106   3.2720   0.9773 0.8052000 1.336000 
1 1 1   44   12    4 o   2.0520   0.6344   2.3470   0.9637   1.7570   0.8254 0.5903000 1.269000 
1 1 1   44   12    5 f   6.8220   0.4129   6.9270   0.5629   6.7170   0.6042 0.2104000 0.8258000 
1 1 1   44   12    6 o   9.2360   0.3255   9.1700   0.4632   9.3010   0.4574 -0.1314000 0.6510000 
1 1 1   44   12    7 o   4.2680   0.8840   3.2450   1.2030   5.2910   1.2960 -2.047000 1.768000 
1 1 1   44   12    8 f   4.4580   0.7093   4.4010   0.9649   4.5150   1.0400 -0.1146000 1.419000 
1 1 1   44   12    9 o   3.3770   0.7411   4.0230   1.0370   2.7300   1.0590 1.293000 1.482000 
1 1 1   44   12   10 o   4.9870   0.6430   4.7810   0.9448   5.1930   0.8726 -0.4119000 1.286000 
1 1 1   44   12   11 o   1.9880   0.6523   1.9050   0.8976   2.0710   0.9468 -0.1661000 1.305000 
1 1 1   44   12   12 o   4.7480   0.8435   4.5330   1.2690   4.9640   1.1110 -0.4313000 1.687000 
1 1 1   44   12   13 o   2.0570   0.6696   2.2380   1.0010   1.8770   0.8898 0.3615000 1.339000 
1 1 1   44   12   14 o   2.5320   0.7545   2.4000   1.0430   2.6630   1.0900 -0.2630000 1.509000 
1 1 1   44   12   15 o   2.7490   0.7782   2.5550   1.0740   2.9430   1.1270 -0.3874000 1.556000 
1 1 1   44   12   16 o   2.7960   0.7787   3.1960   1.1510   2.3970   1.0490 0.7988000 1.557000 
1 1 1   44   12   17 o   2.3460   0.7423   2.2050   1.0240   2.4870   1.0750 -0.2817000 1.485000 
1 1 1   44   12   18 o   1.8300   0.6245   1.6810   0.8276   1.9780   0.9355 -0.2968000 1.249000 
1 1 1   44   12   19 o   2.0910   0.6828   2.5300   1.0940   1.6510   0.8169 0.8783000 1.366000 
1 1 1   44   12   20 o   2.3170   1.1520   2.3170   1.1520  ?   ?       ?      ? 
1 1 1   44   14    0 o   5.6400   0.4376   5.4180   0.6661   5.8630   0.5678 -0.4447000 0.8753000 
1 1 1   44   14    1 o   4.5200   0.5694   3.9500   0.9189   5.0910   0.6725 -1.140000 1.139000 
1 1 1   44   14    2 o   3.2590   0.6910   3.3790   0.9886   3.1380   0.9657 0.2405000 1.382000 
1 1 1   44   14    3 o   3.8050   0.6431   2.9190   1.0160   4.6920   0.7886 -1.773000 1.286000 
1 1 1   44   14    4 o   2.8690   0.7174   2.2830   0.9693   3.4560   1.0580 -1.173000 1.435000 
1 1 1   44   14    5 o   6.6540   0.5893   6.5390   0.8041   6.7690   0.8616 -0.2307000 1.179000 
1 1 1   44   14    6 o   3.4930   0.7275   2.5990   1.0460   4.3870   1.0120 -1.788000 1.455000 
1 1 1   44   14    7 o   8.0350   0.3941   8.0220   0.5608   8.0470   0.5538 -0.2493000E-01 0.7882000 
1 1 1   44   14    8 o   4.0600   0.7284   3.4860   1.1100   4.6350   0.9435 -1.149000 1.457000 
1 1 1   44   14    9 o   4.2730   0.7236   3.8810   1.0770   4.6650   0.9669 -0.7836000 1.447000 
1 1 1   44   14   10 o   3.6410   0.9032   3.8120   1.3110   3.4700   1.2420 0.3425000 1.806000 
1 1 1   44   14   11 o   3.0370   0.8523   2.7020   1.1770   3.3720   1.2330 -0.6695000 1.705000 
1 1 1   44   14   12 o   2.1130   0.6777   1.8550   0.8863   2.3710   1.0250 -0.5157000 1.355000 
1 1 1   44   14   13 o   6.2420   0.5553   6.3160   0.7791   6.1680   0.7915 0.1478000 1.111000 
1 1 1   44   14   14 o   3.1490   0.8053   2.8280   1.1280   3.4700   1.1490 -0.6417000 1.611000 
1 1 1   44   14   15 o   2.3230   0.7292   2.8480   1.1760   1.7970   0.8618 1.051000 1.458000 
1 1 1   44   14   16 o   3.0070   0.8262   3.4810   1.2510   2.5330   1.0800 0.9478000 1.652000 
1 1 1   44   14   17 o   2.2900   0.7270   2.1210   0.9819   2.4590   1.0720 -0.3384000 1.454000 
1 1 1   44   14   18 o   1.8230   0.6242   1.9130   0.9158   1.7330   0.8485 0.1793000 1.248000 
1 1 1   44   16    0 o   3.0090   0.7122   2.6980   1.0130   3.3200   1.0010 -0.6220000 1.424000 
1 1 1   44   16    1 o   4.9230   0.5598   5.0840   0.7831   4.7630   0.8003 0.3213000 1.120000 
1 1 1   44   16    2 o   4.4220   0.7493   4.0450   1.1520   4.7990   0.9588 -0.7541000 1.499000 
1 1 1   44   16    3 o   7.7300   0.4672   7.3570   0.7313   8.1030   0.5816 -0.7456000 0.9343000 
1 1 1   44   16    4 o   5.9500   0.4899   5.7450   0.7458   6.1560   0.6355 -0.4105000 0.9798000 
1 1 1   44   16    5 o   2.1830   0.6745   2.4800   1.0300   1.8870   0.8709 0.5933000 1.349000 
1 1 1   44   16    6 o   6.2550   0.4912   6.6060   0.6725   5.9040   0.7162 0.7028000 0.9825000 
1 1 1   44   16    7 o   4.0470   0.7720   4.1050   1.0760   3.9890   1.1070 0.1157000 1.544000 
1 1 1   44   16    8 o   8.7970   0.3865   8.6360   0.5512   8.9590   0.5420 -0.3238000 0.7730000 
1 1 1   44   16    9 o   3.3820   0.8930   3.2980   1.2790   3.4660   1.2470 -0.1684000 1.786000 
1 1 1   44   16   10 f   1.9320   0.6441   1.8610   0.8880   2.0040   0.9333 -0.1430000 1.288000 
1 1 1   44   16   11 o   2.3840   0.7350   2.2920   1.0240   2.4760   1.0550 -0.1844000 1.470000 
1 1 1   44   16   12 o   4.5880   0.7363   3.4950   1.1830   5.6820   0.8767 -2.187000 1.473000 
1 1 1   44   16   13 o   2.0310   0.6770   2.3900   1.0780   1.6720   0.8196 0.7184000 1.354000 
1 1 1   44   16   14 o   2.8670   0.7853   3.7540   1.2650   1.9790   0.9311 1.775000 1.571000 
1 1 1   44   16   15 o   2.5880   0.7370   1.8820   0.9036   3.2940   1.1640 -1.412000 1.474000 
1 1 1   44   16   16 o   2.7420   0.7594   2.0370   0.9596   3.4470   1.1770 -1.410000 1.519000 
1 1 1   44   16   17 o   1.7620   0.6172   1.8260   0.8898   1.6990   0.8556 0.1278000 1.234000 
1 1 1   44   18    0 o   4.3860   0.7701   5.0870   1.0460   3.6860   1.1310 1.401000 1.540000 
1 1 1   44   18    1 o   6.5570   0.4443   6.9430   0.6335   6.1710   0.6232 0.7715000 0.8886000 
1 1 1   44   18    2 o   2.9390   0.7368   3.3230   1.0870   2.5540   0.9952 0.7689000 1.474000 
1 1 1   44   18    3 o   5.5540   0.5221   5.8050   0.7463   5.3020   0.7304 0.5029000 1.044000 
1 1 1   44   18    4 o   5.2650   0.5660   5.5430   0.7938   4.9870   0.8070 0.5557000 1.132000 
1 1 1   44   18    5 o   4.1400   0.6843   5.9750   0.9600   2.3040   0.9755 3.670000 1.369000 
1 1 1   44   18    6 o   2.1600   0.6738   1.9090   0.8978   2.4110   1.0050 -0.5024000 1.348000 
1 1 1   44   18    7 f   5.1410   0.7836   5.6420   1.1290   4.6400   1.0870 1.002000 1.567000 
1 1 1   44   18    8 o   3.5360   0.7545   2.7830   1.1060   4.2900   1.0260 -1.507000 1.509000 
1 1 1   44   18    9 o   2.4560   0.7176   1.7130   0.8353   3.1990   1.1670 -1.486000 1.435000 
1 1 1   44   18   10 o   2.3880   0.7345   2.5390   1.0750   2.2370   1.0020 0.3017000 1.469000 
1 1 1   44   18   11 o   2.3290   0.7383   2.3550   1.0650   2.3040   1.0230 0.5073000E-01 1.477000 
1 1 1   44   18   12 o   2.6630   0.7684   3.1080   1.1650   2.2190   1.0020 0.8894000 1.537000 
1 1 1   44   18   13 o   3.8710   0.8211   4.1140   1.1570   3.6270   1.1660 0.4866000 1.642000 
1 1 1   44   18   14 o   3.4710   0.8298   3.9490   1.1930   2.9920   1.1540 0.9574000 1.660000 
1 1 1   44   18   15 o   2.9620   0.8257   3.3570   1.2290   2.5660   1.1030 0.7901000 1.651000 
1 1 1   44   20    0 o   2.8430   0.7253   3.3630   1.0850   2.3230   0.9626 1.040000 1.451000 
1 1 1   44   20    1 o   8.9000   0.3478   8.8910   0.5222   8.9080   0.4595 -0.1698000E-01 0.6956000 
1 1 1   44   20    2 o   9.0870   0.3506   9.1640   0.5238   9.0100   0.4661 0.1545000 0.7012000 
1 1 1   44   20    3 o   5.0500   0.6207   4.8890   0.9517   5.2110   0.7972 -0.3217000 1.241000 
1 1 1   44   20    4 o   5.5500   0.7375   4.9660   1.2420   6.1340   0.7962 -1.168000 1.475000 
1 1 1   44   20    5 o   2.7800   0.7468   3.3370   1.1410   2.2230   0.9633 1.114000 1.494000 
1 1 1   44   20    6 o   1.9410   0.6391   2.3510   1.0330   1.5300   0.7531 0.8207000 1.278000 
1 1 1   44   20    7 o   1.8120   0.6109   1.7560   0.8525   1.8670   0.8753 -0.1112000 1.222000 
1 1 1   44   20    8 o   2.7330   0.7995   2.5950   1.1280   2.8710   1.1330 -0.2764000 1.599000 
1 1 1   44   20    9 o   2.1920   0.7204   2.3480   1.0690   2.0360   0.9657 0.3116000 1.441000 
1 1 1   44   20   10 o   2.2650   0.7071   1.8850   0.8999   2.6450   1.0910 -0.7596000 1.414000 
1 1 1   44   20   11 o   2.4590   0.7572   2.6200   1.0970   2.2980   1.0440 0.3214000 1.514000 
1 1 1   44   20   12 o   2.8580   0.8108   2.8540   1.1390   2.8620   1.1540 -0.8732000E-02 1.622000 
1 1 1   44   22    0 o   6.1450   0.6468   5.9670   1.0440   6.3230   0.7635 -0.3567000 1.294000 
1 1 1   44   22    1 o   5.9300   0.6648   6.5210   0.9527   5.3390   0.9274 1.182000 1.330000 
1 1 1   44   22    2 o   2.7900   0.6761   1.8440   0.8833   3.7360   1.0240 -1.892000 1.352000 
1 1 1   44   22    3 o   2.2330   0.7143   2.2470   1.0300   2.2200   0.9896 0.2630000E-01 1.429000 
1 1 1   44   22    4 o   2.0810   0.6603   1.5060   0.7575   2.6560   1.0820 -1.151000 1.321000 
1 1 1   44   22    5 o   1.8430   0.6222   2.0270   0.9430   1.6600   0.8120 0.3667000 1.244000 
1 1 1   44   22    6 o   2.4010   0.7174   2.8630   1.1180   1.9400   0.8991 0.9230000 1.435000 
1 1 1   44   22    7 o   2.1990   0.6894   2.7100   1.1130   1.6880   0.8139 1.022000 1.379000 
1 1 1   44   22    8 o   1.8910   0.6331   1.8430   0.8880   1.9400   0.9026 -0.9685000E-01 1.266000 
1 1 1   44   22    9 o   2.3120   0.7193   2.8030   1.1450   1.8200   0.8706 0.9835000 1.439000 
1 1 1   44   24    0 o   2.3320   0.7031   2.2510   0.9982   2.4130   0.9905 -0.1621000 1.406000 
1 1 1   44   24    1 o   2.4700   0.6574   1.5910   0.7852   3.3490   1.0550 -1.758000 1.315000 
1 1 1   44   24    2 o   3.2920   0.7860   3.6970   1.1520   2.8880   1.0700 0.8094000 1.572000 
1 1 1   44   24    3 o   3.1950   0.7830   3.7120   1.1560   2.6770   1.0560 1.035000 1.566000 
1 1 1   44   24    4 o   1.8820   0.6339   1.8920   0.9088   1.8710   0.8840 0.2077000E-01 1.268000 
1 1 1   45    1    0 o   22.400   0.1997   22.580   0.3106   22.220   0.2510 0.3643000 0.3993000 
1 1 1   45    1    1 o   7.7020   0.3730   7.9460   0.5205   7.4590   0.5344 0.4876000 0.7459000 
1 1 1   45    1    2 o   6.9550   0.4436   6.3540   0.6982   7.5560   0.5473 -1.203000 0.8872000 
1 1 1   45    1    3 o   6.5670   0.3739   6.5210   0.5429   6.6130   0.5142 -0.9242000E-01 0.7477000 
1 1 1   45    1    4 o   2.6810   0.6664   2.0620   0.8972   3.3000   0.9856 -1.238000 1.333000 
1 1 1   45    1    5 o   6.7280   0.4014   7.0320   0.5445   6.4250   0.5899 0.6066000 0.8028000 
1 1 1   45    1    6 o   17.030   0.2123   17.060   0.3011   17.000   0.2993 0.5954000E-01 0.4245000 
1 1 1   45    1    7 o   4.6570   0.6131   5.0060   0.8066   4.3070   0.9237 0.6988000 1.226000 
1 1 1   45    1    8 o   3.7260   0.7108   3.0990   1.0670   4.3530   0.9393 -1.254000 1.422000 
1 1 1   45    1    9 o   6.8650   0.5129   6.6410   0.7415   7.0880   0.7088 -0.4475000 1.026000 
1 1 1   45    1   10 o   3.5770   0.8001   3.3860   1.0860   3.7690   1.1760 -0.3834000 1.600000 
1 1 1   45    1   11 o   3.0060   0.7848   2.7370   1.1210   3.2750   1.0990 -0.5384000 1.570000 
1 1 1   45    1   12 o   2.7160   0.8125   2.7200   1.2220   2.7120   1.0710 0.7700000E-02 1.625000 
1 1 1   45    1   13 o   3.6910   0.8732   3.3230   1.3740   4.0580   1.0780 -0.7357000 1.746000 
1 1 1   45    1   15 o   4.2830   0.9549   4.7860   1.2510   3.7800   1.4430 1.006000 1.910000 
1 1 1   45    1   16 o   2.6090   0.8352   2.1600   0.9874   3.0580   1.3470 -0.8983000 1.670000 
1 1 1   45    1   17 o   3.2690   0.8693   3.7100   1.1710   2.8270   1.2850 0.8830000 1.739000 
1 1 1   45    1   18 o   2.7570   0.8531   2.6340   1.1020   2.8790   1.3030 -0.2448000 1.706000 
1 1 1   45    1   19 o   2.5700   0.7921   2.4160   1.0550   2.7240   1.1820 -0.3075000 1.584000 
1 1 1   45    1   20 o   2.4330   0.7362   2.9360   1.1500   1.9300   0.9198 1.006000 1.472000 
1 1 1   45    1   21 o   2.0750   0.7023   1.7680   0.8783   2.3820   1.0960 -0.6138000 1.405000 
1 1 1   45    1   22 o   2.4740   0.7619   2.2750   1.0300   2.6740   1.1230 -0.3993000 1.524000 
1 1 1   45    3    0 o   19.220   0.1954   19.420   0.3068   19.030   0.2421 0.3883000 0.3908000 
1 1 1   45    3    1 o   2.7650   0.5823   1.7410   0.8215   3.7890   0.8255 -2.047000 1.165000 
1 1 1   45    3    2 o   4.4460   0.8252   4.1730   1.3970   4.7200   0.8785 -0.5476000 1.650000 
1 1 1   45    3    3 o   7.8270   0.3618   7.8490   0.5722   7.8060   0.4430 0.4373000E-01 0.7236000 
1 1 1   45    3    4 o   3.7450   0.6375   2.5690   1.0600   4.9200   0.7091 -2.352000 1.275000 
1 1 1   45    3    5 o   2.3450   0.7107   2.7980   1.1290   1.8930   0.8632 0.9050000 1.421000 
1 1 1   45    3    6 o   9.6200   0.3491   9.3580   0.5647   9.8820   0.4106 -0.5243000 0.6981000 
1 1 1   45    3    7 o   7.8640   0.4200   7.9550   0.6585   7.7720   0.5215 0.1827000 0.8399000 
1 1 1   45    3    8 o   4.0520   0.7412   4.0990   1.1010   4.0060   0.9931 0.9378000E-01 1.482000 
1 1 1   45    3    9 f   9.1460   0.4590   8.8070   0.7919   9.4850   0.4644 -0.6778000 0.9181000 
1 1 1   45    3   10 o   2.7710   0.8356   2.7940   1.2300   2.7490   1.1310 0.4538000E-01 1.671000 
1 1 1   45    3   11 f   2.4160   0.7596   2.3870   1.1180   2.4450   1.0280 -0.5797000E-01 1.519000 
1 1 1   45    3   12 o   2.8230   0.7553   3.9090   1.2580   1.7370   0.8367 2.171000 1.511000 
1 1 1   45    3   13 o   3.6760   0.8757   3.9340   1.2490   3.4190   1.2270 0.5153000 1.751000 
1 1 1   45    3   14 o   3.5970   0.8981   3.1670   1.2650   4.0260   1.2750 -0.8588000 1.796000 
1 1 1   45    3   15 o   6.0080   0.5824   5.3070   0.9271   6.7080   0.7050 -1.401000 1.165000 
1 1 1   45    3   16 o   2.5710   0.7597   2.7630   1.1120   2.3800   1.0350 0.3822000 1.519000 
1 1 1   45    3   17 o   2.7780   0.7905   2.5650   1.0880   2.9910   1.1470 -0.4253000 1.581000 
1 1 1   45    3   18 o   3.0920   0.8381   3.3990   1.1820   2.7850   1.1890 0.6134000 1.676000 
1 1 1   45    3   19 o   3.7550   0.9494   3.7750   1.1930   3.7350   1.4770 0.4001000E-01 1.899000 
1 1 1   45    3   20 o   3.0300   0.9044   2.8040   1.1490   3.2550   1.3970 -0.4508000 1.809000 
1 1 1   45    3   21 o   2.9230   0.9079   2.4270   1.1130   3.4200   1.4350 -0.9925000 1.816000 
1 1 1   45    3   22 o   1.9810   0.6797   2.0960   0.9790   1.8670   0.9430 0.2289000 1.359000 
1 1 1   45    5    0 o   9.0120   0.2763   8.7600   0.4444   9.2640   0.3286 -0.5039000 0.5527000 
1 1 1   45    5    1 o   10.870   0.2561   11.000   0.4036   10.740   0.3154 0.2587000 0.5122000 
1 1 1   45    5    2 o   15.010   0.3507   14.640   0.6187   15.370   0.3302 -0.7272000 0.7013000 
1 1 1   45    5    3 o   12.900   0.2971  ?   ?    12.900   0.2971      ?      ? 
1 1 1   45    5    4 o   7.7780   0.3793   7.9260   0.6058   7.6300   0.4566 0.2961000 0.7586000 
1 1 1   45    5    5 o   2.6690   0.7039   2.5890   0.9771   2.7490   1.0130 -0.1598000 1.408000 
1 1 1   45    5    6 o   5.7050   0.5009   5.9320   0.6945   5.4780   0.7222 0.4544000 1.002000 
1 1 1   45    5    7 o   12.790   0.2598   12.660   0.3826   12.920   0.3516 -0.2629000 0.5196000 
1 1 1   45    5    8 o   5.2210   0.5886   5.2850   0.8564   5.1570   0.8075 0.1281000 1.177000 
1 1 1   45    5    9 o   2.3340   0.7204   2.5980   1.0670   2.0690   0.9686 0.5290000 1.441000 
1 1 1   45    5   10 o   2.7800   0.8135   2.9280   1.1810   2.6320   1.1190 0.2957000 1.627000 
1 1 1   45    5   11 o   5.3710   0.5899   5.7990   0.7557   4.9420   0.9060 0.8570000 1.180000 
1 1 1   45    5   12 o   5.8460   0.5971   5.4300   0.7879   6.2620   0.8973 -0.8319000 1.194000 
1 1 1   45    5   13 o   4.2180   0.7491   5.1810   0.8642   3.2550   1.2240 1.926000 1.498000 
1 1 1   45    5   14 o   3.2690   0.8743   2.8150   1.2010   3.7230   1.2700 -0.9077000 1.749000 
1 1 1   45    5   15 o   2.3160   0.7207   2.2380   1.0010   2.3940   1.0370 -0.1561000 1.441000 
1 1 1   45    5   16 o   2.7260   0.7607   2.1390   0.9764   3.3130   1.1670 -1.174000 1.521000 
1 1 1   45    5   17 o   2.3600   0.7276   1.9880   0.9361   2.7310   1.1140 -0.7426000 1.455000 
1 1 1   45    5   18 o   2.2880   0.7138   2.7590   1.1260   1.8160   0.8777 0.9424000 1.428000 
1 1 1   45    5   19 o   2.7340   0.7966   2.5630   1.1050   2.9040   1.1480 -0.3412000 1.593000 
1 1 1   45    5   20 o   2.4280   0.7729   2.5910   1.1550   2.2650   1.0280 0.3268000 1.546000 
1 1 1   45    5   21 o   2.2700   1.0320   2.2700   1.0320  ?   ?       ?      ? 
1 1 1   45    5   22 o   2.4650   0.7831   1.9200   0.9233   3.0110   1.2650 -1.092000 1.566000 
1 1 1   45    7    0 o   8.7420   0.2368   8.5250   0.3548   8.9590   0.3137 -0.4344000 0.4736000 
1 1 1   45    7    1 o   6.8000   0.4047   6.9370   0.5827   6.6630   0.5616 0.2741000 0.8093000 
1 1 1   45    7    2 o   10.750   0.2291   10.510   0.3334   10.990   0.3143 -0.4755000 0.4582000 
1 1 1   45    7    3 o   12.600   0.2183   12.810   0.3095   12.400   0.3079 0.4113000 0.4366000 
1 1 1   45    7    4 o   7.1110   0.3657   7.0670   0.5496   7.1550   0.4825 -0.8786000E-01 0.7314000 
1 1 1   45    7    5 o   5.6300   0.5117   6.5300   0.6165   4.7300   0.8169 1.800000 1.023000 
1 1 1   45    7    6 o   5.0560   0.5759   4.5160   0.9130   5.5960   0.7022 -1.081000 1.152000 
1 1 1   45    7    7 o   10.740   0.2821   10.600   0.3969   10.880   0.4009 -0.2877000 0.5641000 
1 1 1   45    7    8 o   7.5340   0.3970   7.1920   0.5869   7.8760   0.5348 -0.6835000 0.7940000 
1 1 1   45    7    9 o   3.3320   0.8471   2.9950   1.1820   3.6680   1.2140 -0.6726000 1.694000 
1 1 1   45    7   10 o   2.3960   0.7130   2.5540   1.0380   2.2380   0.9778 0.3157000 1.426000 
1 1 1   45    7   11 f   5.5560   0.6312   5.1680   0.8757   5.9440   0.9092 -0.7752000 1.262000 
1 1 1   45    7   12 o   3.4440   0.8241   2.9260   1.1140   3.9610   1.2150 -1.035000 1.648000 
1 1 1   45    7   13 o   4.0060   0.7698   3.5450   1.1390   4.4670   1.0350 -0.9222000 1.540000 
1 1 1   45    7   14 o   2.4510   0.7812   2.8110   1.2080   2.0910   0.9906 0.7199000 1.562000 
1 1 1   45    7   15 o   3.6410   0.8088   3.2820   1.1620   3.9990   1.1260 -0.7178000 1.618000 
1 1 1   45    7   16 o   5.3290   0.6695   4.8410   1.0190   5.8160   0.8685 -0.9745000 1.339000 
1 1 1   45    7   17 o   2.6450   0.7781   2.5790   1.0870   2.7110   1.1140 -0.1323000 1.556000 
1 1 1   45    7   18 o   4.1870   0.7666   3.9580   1.0570   4.4150   1.1110 -0.4568000 1.533000 
1 1 1   45    7   19 o   2.6610   0.7498   1.9870   0.9225   3.3360   1.1820 -1.349000 1.500000 
1 1 1   45    7   20 o   2.6240   0.7703   2.9640   1.1470   2.2830   1.0290 0.6811000 1.541000 
1 1 1   45    7   21 o   2.6600   0.8165   2.8080   1.1610   2.5130   1.1480 0.2949000 1.633000 
1 1 1   45    9    0 o   8.2460   0.3317   7.8820   0.5325   8.6100   0.3957 -0.7275000 0.6634000 
1 1 1   45    9    1 o   7.5750   0.2931   7.4210   0.4404   7.7290   0.3870 -0.3079000 0.5863000 
1 1 1   45    9    2 o   6.3860   0.3915   6.2670   0.5953   6.5060   0.5087 -0.2391000 0.7830000 
1 1 1   45    9    3 o   4.1900   0.6089   3.3220   1.0180   5.0580   0.6685 -1.736000 1.218000 
1 1 1   45    9    4 f   8.5180   0.3275   8.4980   0.4793   8.5380   0.4465 -0.4028000E-01 0.6550000 
1 1 1   45    9    5 o   2.9340   0.7021   2.4380   0.9744   3.4310   1.0110 -0.9928000 1.404000 
1 1 1   45    9    6 o   5.2310   0.5195   5.3140   0.7028   5.1480   0.7652 0.1659000 1.039000 
1 1 1   45    9    7 o   2.7640   0.7053   2.2230   0.9528   3.3050   1.0400 -1.082000 1.411000 
1 1 1   45    9    8 o   8.9840   0.4294   9.3630   0.5844   8.6050   0.6292 0.7573000 0.8587000 
1 1 1   45    9    9 o   5.0440   0.7047   4.2350   1.1990   5.8530   0.7409 -1.617000 1.409000 
1 1 1   45    9   10 o   8.4890   0.4110   8.3900   0.5428   8.5880   0.6173 -0.1978000 0.8220000 
1 1 1   45    9   11 o   9.3220   0.3583   9.0560   0.5156   9.5890   0.4977 -0.5324000 0.7167000 
1 1 1   45    9   12 o   2.8190   0.7696   2.5300   1.0490   3.1090   1.1260 -0.5794000 1.539000 
1 1 1   45    9   13 o   2.6590   0.8087   2.9850   1.2200   2.3320   1.0620 0.6537000 1.617000 
1 1 1   45    9   14 o   5.4150   0.6517   5.5070   0.9251   5.3220   0.9181 0.1855000 1.303000 
1 1 1   45    9   15 o   5.6400   0.6385   5.4730   0.9612   5.8070   0.8409 -0.3337000 1.277000 
1 1 1   45    9   16 o   2.9420   0.8104   2.8920   1.1500   2.9910   1.1420 -0.9856000E-01 1.621000 
1 1 1   45    9   17 o   2.8490   0.7942   3.4230   1.2150   2.2740   1.0230 1.149000 1.588000 
1 1 1   45    9   18 o   5.3040   0.7194   5.5700   1.0010   5.0370   1.0340 0.5327000 1.439000 
1 1 1   45    9   19 o   2.9320   0.8349   3.2680   1.2600   2.5960   1.0960 0.6722000 1.670000 
1 1 1   45    9   20 o   2.1640   0.7187   1.6260   0.8100   2.7030   1.1880 -1.078000 1.437000 
1 1 1   45    9   21 o   2.0120   0.7105   1.9500   0.9969   2.0740   1.0130 -0.1241000 1.421000 
1 1 1   45   11    0 o   2.7850   0.6664   2.4280   0.9600   3.1410   0.9244 -0.7133000 1.333000 
1 1 1   45   11    1 o   10.840   0.2639   10.820   0.3920   10.860   0.3533 -0.3809000E-01 0.5277000 
1 1 1   45   11    2 o   4.2330   0.6039   4.9720   0.7944   3.4940   0.9099 1.478000 1.208000 
1 1 1   45   11    3 o   4.3480   0.6113   3.9820   0.9673   4.7140   0.7478 -0.7325000 1.223000 
1 1 1   45   11    4 o   2.7330   0.7110   2.8670   1.0090   2.5980   1.0020 0.2689000 1.422000 
1 1 1   45   11    5 o   12.400   0.2507   12.300   0.3567   12.510   0.3523 -0.2068000 0.5013000 
1 1 1   45   11    6 o   4.9980   0.5764   4.7610   0.8622   5.2350   0.7653 -0.4740000 1.153000 
1 1 1   45   11    7 o   4.6690   0.7722   5.4470   0.9685   3.8910   1.2030 1.555000 1.544000 
1 1 1   45   11    8 o   4.4540   0.7855   5.0560   1.0850   3.8530   1.1360 1.203000 1.571000 
1 1 1   45   11    9 o   5.6090   0.5667   4.8760   0.8993   6.3410   0.6900 -1.465000 1.133000 
1 1 1   45   11   10 o   3.4700   0.7762   3.4710   1.0960   3.4700   1.0990 0.1452000E-02 1.552000 
1 1 1   45   11   11 o   5.2630   0.6238   4.8150   0.9470   5.7100   0.8121 -0.8947000 1.248000 
1 1 1   45   11   12 f   4.1020   0.8669   4.8080   1.2170   3.3960   1.2350 1.411000 1.734000 
1 1 1   45   11   13 o   2.7940   0.7727   2.5700   1.0690   3.0190   1.1160 -0.4488000 1.545000 
1 1 1   45   11   14 o   2.5200   0.6968   1.6430   0.8067   3.3970   1.1360 -1.754000 1.394000 
1 1 1   45   11   15 o   2.8140   0.7781   3.1450   1.1420   2.4830   1.0570 0.6616000 1.556000 
1 1 1   45   11   16 o   3.5990   0.8262   3.5130   1.1710   3.6850   1.1660 -0.1718000 1.652000 
1 1 1   45   11   17 o   2.0810   0.6900   1.9610   0.9496   2.2010   1.0010 -0.2398000 1.380000 
1 1 1   45   11   18 o   1.9280   0.6554   1.8160   0.8961   2.0410   0.9566 -0.2247000 1.311000 
1 1 1   45   11   19 o   3.0250   0.8389   3.0000   1.1930   3.0510   1.1790 -0.5072000E-01 1.678000 
1 1 1   45   11   20 o   2.1590   0.7421   2.0640   1.0140   2.2540   1.0830 -0.1900000 1.484000 
1 1 1   45   13    0 o   9.1950   0.2822   9.6280   0.4249   8.7620   0.3716 0.8659000 0.5645000 
1 1 1   45   13    1 o   3.6920   0.6542   4.3000   0.9215   3.0840   0.9288 1.216000 1.308000 
1 1 1   45   13    2 o   5.3340   0.4745   5.0610   0.7192   5.6060   0.6191 -0.5451000 0.9489000 
1 1 1   45   13    3 o   4.2960   0.6098   4.6250   0.8197   3.9670   0.9029 0.6571000 1.220000 
1 1 1   45   13    4 o   2.4100   0.6854   2.4680   0.9840   2.3520   0.9544 0.1161000 1.371000 
1 1 1   45   13    5 o   5.9280   0.5087   5.7260   0.7078   6.1300   0.7309 -0.4039000 1.017000 
1 1 1   45   13    6 f   9.0140   0.5226   8.8410   0.6329   9.1870   0.8320 -0.3455000 1.045000 
1 1 1   45   13    7 o   3.1350   0.7446   2.4940   1.0330   3.7770   1.0730 -1.284000 1.489000 
1 1 1   45   13    8 o   4.0380   0.7413   4.0650   1.0390   4.0100   1.0570 0.5465000E-01 1.483000 
1 1 1   45   13    9 o   6.7660   0.4702   6.6920   0.6790   6.8400   0.6505 -0.1483000 0.9403000 
1 1 1   45   13   10 o   7.2680   0.4513   6.9220   0.6669   7.6140   0.6084 -0.6918000 0.9027000 
1 1 1   45   13   11 o   2.6120   0.8030   2.8210   1.1940   2.4020   1.0740 0.4181000 1.606000 
1 1 1   45   13   12 o   3.4550   0.7726   2.8000   1.1110   4.1100   1.0740 -1.310000 1.545000 
1 1 1   45   13   13 o   4.0250   0.7795   3.5210   1.1610   4.5290   1.0400 -1.008000 1.559000 
1 1 1   45   13   14 o   3.0950   0.8098   3.1660   1.1530   3.0230   1.1380 0.1431000 1.620000 
1 1 1   45   13   15 o   2.3350   0.7019   3.0160   1.1450   1.6540   0.8123 1.362000 1.404000 
1 1 1   45   13   16 o   2.8560   0.8125   2.6420   1.1330   3.0700   1.1650 -0.4280000 1.625000 
1 1 1   45   13   17 o   2.2970   0.7256   2.3490   1.0400   2.2460   1.0120 0.1026000 1.451000 
1 1 1   45   13   18 o   2.7270   0.7833   2.4330   1.0620   3.0220   1.1510 -0.5886000 1.567000 
1 1 1   45   15    0 o   6.6270   0.3822   6.5720   0.5648   6.6820   0.5153 -0.1099000 0.7645000 
1 1 1   45   15    1 o   11.580   0.2599   11.630   0.3717   11.530   0.3635 0.9130000E-01 0.5199000 
1 1 1   45   15    2 o   3.1590   0.6655   2.2480   0.9507   4.0700   0.9315 -1.822000 1.331000 
1 1 1   45   15    3 o   6.7870   0.4221   7.0370   0.5843   6.5370   0.6093 0.4999000 0.8442000 
1 1 1   45   15    4 o   4.2180   0.7592   5.2250   0.9882   3.2110   1.1530 2.014000 1.518000 
1 1 1   45   15    5 o   2.4060   0.7076   2.5800   1.0380   2.2330   0.9618 0.3477000 1.415000 
1 1 1   45   15    6 o   6.5420   0.4581   6.3370   0.6950   6.7470   0.5971 -0.4099000 0.9163000 
1 1 1   45   15    7 o   2.4010   0.7153   2.5710   1.0410   2.2310   0.9818 0.3401000 1.431000 
1 1 1   45   15    8 o   3.1540   0.7592   3.6850   1.0890   2.6220   1.0580 1.063000 1.518000 
1 1 1   45   15    9 o   2.4010   0.7287   2.2910   1.0110   2.5110   1.0500 -0.2204000 1.457000 
1 1 1   45   15   10 o   2.6140   0.8081   2.3610   1.0920   2.8670   1.1910 -0.5065000 1.616000 
1 1 1   45   15   11 o   2.8660   0.7774   2.4580   1.0540   3.2750   1.1420 -0.8162000 1.555000 
1 1 1   45   15   12 o   2.8220   0.7599   2.1890   0.9973   3.4560   1.1470 -1.267000 1.520000 
1 1 1   45   15   13 o   2.2750   0.7132   2.5930   1.0900   1.9560   0.9201 0.6364000 1.426000 
1 1 1   45   15   14 f   2.9090   0.8044   3.4650   1.2360   2.3520   1.0290 1.113000 1.609000 
1 1 1   45   15   15 o   3.4100   0.8376   3.4260   1.2010   3.3950   1.1680 0.3109000E-01 1.675000 
1 1 1   45   15   16 o   2.0780   0.6845   2.1730   0.9984   1.9840   0.9368 0.1891000 1.369000 
1 1 1   45   15   17 o   2.3320   0.7340   2.2460   1.0210   2.4180   1.0540 -0.1716000 1.468000 
1 1 1   45   17    0 o   6.3930   0.4926   7.0230   0.5849   5.7620   0.7928 1.260000 0.9852000 
1 1 1   45   17    1 o   2.8360   0.7713   3.4540   1.1910   2.2180   0.9807 1.236000 1.543000 
1 1 1   45   17    2 o   3.1670   0.6883   2.2860   1.0310   4.0480   0.9122 -1.762000 1.377000 
1 1 1   45   17    3 o   4.3060   0.6606   3.9750   1.0340   4.6380   0.8232 -0.6621000 1.321000 
1 1 1   45   17    4 o   2.7310   0.7377   2.7150   1.0590   2.7470   1.0270 -0.3176000E-01 1.475000 
1 1 1   45   17    5 o   1.8370   0.6061   2.1480   0.9545   1.5260   0.7473 0.6212000 1.212000 
1 1 1   45   17    6 o   2.6500   0.7356   3.0520   1.0980   2.2480   0.9791 0.8040000 1.471000 
1 1 1   45   17    7 o   2.5120   0.7229   2.9240   1.0990   2.0990   0.9397 0.8242000 1.446000 
1 1 1   45   17    8 o   4.5750   0.8705   3.9600   1.3120   5.1900   1.1450 -1.229000 1.741000 
1 1 1   45   17    9 o   4.8360   0.7012   5.0490   0.9675   4.6220   1.0150 0.4267000 1.402000 
1 1 1   45   17   10 o   3.0910   0.8043   3.2110   1.1500   2.9710   1.1250 0.2397000 1.609000 
1 1 1   45   17   11 o   3.6260   0.8242   3.7570   1.1600   3.4940   1.1710 0.2628000 1.648000 
1 1 1   45   17   12 o   1.9600   0.6601   1.9260   0.9288   1.9940   0.9381 -0.6795000E-01 1.320000 
1 1 1   45   17   13 f   2.1660   0.6902   2.6490   1.1070   1.6830   0.8245 0.9657000 1.380000 
1 1 1   45   17   14 o   2.1210   0.6914   2.1030   0.9758   2.1380   0.9797 -0.3495000E-01 1.383000 
1 1 1   45   17   15 o   3.2790   0.8121   2.7270   1.1270   3.8300   1.1690 -1.103000 1.624000 
1 1 1   45   19    0 o   2.7850   0.7289   3.0510   1.0760   2.5200   0.9840 0.5315000 1.458000 
1 1 1   45   19    1 o   3.3770   0.7298   3.7930   1.0480   2.9610   1.0160 0.8323000 1.460000 
1 1 1   45   19    2 o   4.1350   0.6830   3.5620   1.0850   4.7080   0.8299 -1.145000 1.366000 
1 1 1   45   19    3 o   3.2110   0.7134   4.0900   1.0390   2.3330   0.9785 1.757000 1.427000 
1 1 1   45   19    4 o   2.0400   0.6498   1.8420   0.8729   2.2380   0.9628 -0.3966000 1.300000 
1 1 1   45   19    5 o   2.9200   0.8353   3.0790   1.2460   2.7610   1.1120 0.3174000 1.671000 
1 1 1   45   19    6 o   2.5780   0.7784   2.3430   1.0810   2.8130   1.1200 -0.4698000 1.557000 
1 1 1   45   19    7 o   5.0810   0.6501   4.8380   0.9985   5.3240   0.8327 -0.4864000 1.300000 
1 1 1   45   19    8 o   4.8660   0.7001   5.9270   0.8468   3.8040   1.1150 2.122000 1.400000 
1 1 1   45   19    9 o   3.3490   0.8257   2.7030   1.1450   3.9950   1.1900 -1.292000 1.651000 
1 1 1   45   19   10 o   2.3930   0.7545   2.2770   1.0450   2.5090   1.0880 -0.2321000 1.509000 
1 1 1   45   19   11 o   2.4860   0.7498   2.1220   0.9794   2.8490   1.1360 -0.7271000 1.500000 
1 1 1   45   19   12 f   4.1270   0.8074   4.3440   1.1130   3.9090   1.1700 0.4353000 1.615000 
1 1 1   45   19   13 o   2.0300   0.6709   1.8360   0.8845   2.2250   1.0090 -0.3891000 1.342000 
1 1 1   45   21    0 o   3.0940   0.7078   2.3670   1.0150   3.8220   0.9862 -1.455000 1.416000 
1 1 1   45   21    1 o   8.4610   0.4028   8.8000   0.5509   8.1220   0.5878 0.6784000 0.8056000 
1 1 1   45   21    2 o   3.2030   0.7778   2.3760   1.0880   4.0300   1.1120 -1.654000 1.556000 
1 1 1   45   21    3 o   2.7510   0.8142   2.9260   1.2200   2.5770   1.0790 0.3491000 1.628000 
1 1 1   45   21    4 o   6.1680   0.5216   6.0790   0.8025   6.2580   0.6666 -0.1794000 1.043000 
1 1 1   45   21    5 o   4.4480   0.7913   4.6520   1.1680   4.2440   1.0680 0.4076000 1.583000 
1 1 1   45   21    6 o   3.5640   0.8369   4.0050   1.2320   3.1220   1.1330 0.8827000 1.674000 
1 1 1   45   21    7 o   2.5790   0.7593   2.6110   1.0910   2.5460   1.0570 0.6438000E-01 1.519000 
1 1 1   45   21    8 o   1.7100   0.5906   2.0020   0.9436   1.4170   0.7105 0.5856000 1.181000 
1 1 1   45   21    9 o   1.8540   0.6226   1.5920   0.7915   2.1170   0.9613 -0.5246000 1.245000 
1 1 1   45   21   10 o   1.8600   0.6300   1.9190   0.9144   1.8020   0.8668 0.1176000 1.260000 
1 1 1   45   23    0 f   2.4410   0.7460   2.8210   1.1560   2.0620   0.9432 0.7588000 1.492000 
1 1 1   45   23    1 o   2.5670   0.7672   2.7770   1.1510   2.3570   1.0150 0.4193000 1.534000 
1 1 1   45   23    2 o   2.6960   0.7508   3.2320   1.1590   2.1610   0.9544 1.071000 1.502000 
1 1 1   45   23    3 o   4.8340   0.6893   4.9500   1.0130   4.7180   0.9344 0.2319000 1.379000 
1 1 1   45   23    4 o   4.1040   0.7416   3.3690   1.1680   4.8400   0.9143 -1.471000 1.483000 
1 1 1   45   23    5 o   2.8620   0.7733   3.2230   1.1530   2.5000   1.0300 0.7235000 1.547000 
1 1 1   45   23    6 o   2.2210   0.7387   2.4740   1.1270   1.9690   0.9548 0.5058000 1.477000 
1 1 1   46    0    0 o   2.9580   1.0590   2.9580   1.0590   2.9580   1.0590 0.000000 0.000000 
1 1 1   46    0    1 o   9.9390   0.7124   9.9390   0.7124   9.9390   0.7124 0.000000 0.000000 
1 1 1   46    0    2 o   1.8060   1.0600   1.8060   1.0600   1.8060   1.0600 0.000000 0.000000 
1 1 1   46    0    3 o   1.4200   0.9270   1.4200   0.9270   1.4200   0.9270 0.000000 0.000000 
1 1 1   46    0    4 o   8.6470   0.4219   8.6470   0.4219   8.6470   0.4219 0.000000 0.000000 
1 1 1   46    0    5 o   12.520   0.3402   12.520   0.3402   12.520   0.3402 0.000000 0.000000 
1 1 1   46    0    6 o   7.8310   0.5054   7.8310   0.5054   7.8310   0.5054 0.000000 0.000000 
1 1 1   46    0    7 o   9.6950   0.4271   9.6950   0.4271   9.6950   0.4271 0.000000 0.000000 
1 1 1   46    0    8 o   1.6610   1.0580   1.6610   1.0580   1.6610   1.0580 0.000000 0.000000 
1 1 1   46    0    9 o   2.2050   1.2820   2.2050   1.2820   2.2050   1.2820 0.000000 0.000000 
1 1 1   46    0   10 o   1.8510   1.1400   1.8510   1.1400   1.8510   1.1400 0.000000 0.000000 
1 1 1   46    0   11 o   6.0630   0.7486   6.0630   0.7486   6.0630   0.7486 0.000000 0.000000 
1 1 1   46    0   12 o   5.4600   0.8882   5.4600   0.8882   5.4600   0.8882 0.000000 0.000000 
1 1 1   46    0   13 o   6.9180   0.6692   6.9180   0.6692   6.9180   0.6692 0.000000 0.000000 
1 1 1   46    0   14 o   2.5940   1.6170   2.5940   1.6170   2.5940   1.6170 0.000000 0.000000 
1 1 1   46    0   15 o   2.9600   1.3850   2.9600   1.3850   2.9600   1.3850 0.000000 0.000000 
1 1 1   46    0   16 f   2.8760   1.4070   2.8760   1.4070   2.8760   1.4070 0.000000 0.000000 
1 1 1   46    0   18 o   2.9260   1.7060   2.9260   1.7060   2.9260   1.7060 0.000000 0.000000 
1 1 1   46    0   19 f   2.1320   1.4260   2.1320   1.4260   2.1320   1.4260 0.000000 0.000000 
1 1 1   46    0   20 o   3.7950   1.8580   3.7950   1.8580   3.7950   1.8580 0.000000 0.000000 
1 1 1   46    0   21 o   1.6050   1.1430   1.6050   1.1430   1.6050   1.1430 0.000000 0.000000 
1 1 1   46    0   22 o   1.6400   1.1320   1.6400   1.1320   1.6400   1.1320 0.000000 0.000000 
1 1 1   46    2    0 o   12.320   0.2372   12.400   0.3465   12.240   0.3240 0.1581000 0.4744000 
1 1 1   46    2    1 o   12.720   0.2253   12.800   0.3522   12.640   0.2810 0.1561000 0.4506000 
1 1 1   46    2    2 o   4.4750   0.8076   4.3400   1.3540   4.6090   0.8804 -0.2692000 1.615000 
1 1 1   46    2    3 o   7.2670   0.3889   7.3490   0.6262   7.1840   0.4613 0.1643000 0.7777000 
1 1 1   46    2    4 o   3.1620   0.7571   3.2230   1.1590   3.1010   0.9749 0.1228000 1.514000 
1 1 1   46    2    5 o   5.0070   0.5596   4.2940   0.9078   5.7200   0.6547 -1.425000 1.119000 
1 1 1   46    2    6 o   3.1730   0.7268   3.2010   1.0280   3.1450   1.0280 0.5667000E-01 1.454000 
1 1 1   46    2    7 o   3.1830   0.7338   3.0130   1.0460   3.3540   1.0300 -0.3418000 1.468000 
1 1 1   46    2    8 o   5.9920   0.4982   5.3460   0.7840   6.6380   0.6151 -1.292000 0.9965000 
1 1 1   46    2    9 o   6.7820   0.5318   7.1720   0.6965   6.3930   0.8039 0.7789000 1.064000 
1 1 1   46    2   10 o   10.220   0.3218   10.340   0.4496   10.100   0.4605 0.2353000 0.6436000 
1 1 1   46    2   11 o   2.4110   0.6946   3.0190   1.0930   1.8040   0.8570 1.215000 1.389000 
1 1 1   46    2   12 o   4.1690   0.7423   3.8530   1.0930   4.4860   1.0050 -0.6329000 1.485000 
1 1 1   46    2   13 o   5.2910   0.7703   5.1360   1.1280   5.4470   1.0500 -0.3117000 1.541000 
1 1 1   46    2   14 o   3.1640   0.8469   2.2960   1.1210   4.0320   1.2700 -1.736000 1.694000 
1 1 1   46    2   15 o   3.1650   0.8788   3.1870   1.3500   3.1430   1.1260 0.4395000E-01 1.758000 
1 1 1   46    2   16 o   3.7590   0.9064   3.5190   1.4110   3.9980   1.1380 -0.4793000 1.813000 
1 1 1   46    2   17 o   2.7950   0.8542   3.0100   1.3220   2.5810   1.0820 0.4292000 1.708000 
1 1 1   46    2   18 o   2.4790   0.7699   2.3530   1.0890   2.6040   1.0890 -0.2502000 1.540000 
1 1 1   46    2   19 o   3.5720   0.8200   3.0720   1.1720   4.0710   1.1470 -0.9997000 1.640000 
1 1 1   46    2   20 o   2.6710   0.7785   3.1260   1.1790   2.2160   1.0170 0.9094000 1.557000 
1 1 1   46    2   21 o   2.7150   0.8327   2.3140   1.0780   3.1160   1.2690 -0.8024000 1.665000 
1 1 1   46    2   22 o   2.6350   0.8570   1.9950   0.9482   3.2740   1.4280 -1.278000 1.714000 
1 1 1   46    4    0 o   15.160   0.1994   14.790   0.3097   15.530   0.2512 -0.7406000 0.3988000 
1 1 1   46    4    1 o   3.5110   0.6782   3.9850   1.0030   3.0370   0.9130 0.9475000 1.356000 
1 1 1   46    4    2 o   7.3990   0.5809   7.1230   1.0320   7.6750   0.5344 -0.5522000 1.162000 
1 1 1   46    4    3 o   5.4440   0.5315   4.9850   0.9057   5.9040   0.5563 -0.9188000 1.063000 
1 1 1   46    4    4 o   9.4130   0.3174   9.6850   0.4990   9.1410   0.3924 0.5447000 0.6348000 
1 1 1   46    4    5 o   3.1290   0.7439   3.0180   1.1290   3.2390   0.9695 -0.2208000 1.488000 
1 1 1   46    4    6 o   9.3410   0.3549   9.5790   0.5586   9.1030   0.4379 0.4766000 0.7098000 
1 1 1   46    4    7 o   4.8370   0.6842   4.4060   1.1360   5.2680   0.7632 -0.8614000 1.368000 
1 1 1   46    4    8 o   3.7240   0.7052   2.4940   1.1320   4.9540   0.8417 -2.460000 1.410000 
1 1 1   46    4    9 o   7.9540   0.4802   7.9530   0.6998   7.9560   0.6577 -0.3679000E-02 0.9603000 
1 1 1   46    4   10 o   3.4120   0.8203   3.9540   1.2240   2.8710   1.0930 1.082000 1.641000 
1 1 1   46    4   11 o   7.4480   0.4726   6.8640   0.7572   8.0310   0.5658 -1.168000 0.9453000 
1 1 1   46    4   12 o   5.0210   0.7867   6.0690   1.1310   3.9730   1.0940 2.096000 1.573000 
1 1 1   46    4   13 o   3.7490   0.9058   3.2620   1.3240   4.2360   1.2360 -0.9733000 1.812000 
1 1 1   46    4   14 o   2.9860   1.2120  ?   ?    2.9860   1.2120      ?      ? 
1 1 1   46    4   15 o   2.7390   0.7994   3.2630   1.2520   2.2150   0.9937 1.048000 1.599000 
1 1 1   46    4   16 o   2.8320   0.7938   2.8210   1.1270   2.8430   1.1190 -0.2253000E-01 1.588000 
1 1 1   46    4   17 o   2.1290   0.6937   2.0990   0.9730   2.1590   0.9889 -0.5958000E-01 1.387000 
1 1 1   46    4   18 o   2.6950   0.7750   3.1240   1.1650   2.2660   1.0220 0.8585000 1.550000 
1 1 1   46    4   19 o   2.5830   0.7627   3.1510   1.1940   2.0160   0.9495 1.135000 1.525000 
1 1 1   46    4   20 o   2.3140   0.7429   2.7750   1.1870   1.8520   0.8937 0.9230000 1.486000 
1 1 1   46    4   21 o   1.9980   0.6812   1.8800   0.9096   2.1160   1.0140 -0.2356000 1.362000 
1 1 1   46    4   22 o   1.7590   0.6259   1.7850   0.8970   1.7320   0.8731 0.5263000E-01 1.252000 
1 1 1   46    6    0 o   15.340   0.1689   15.070   0.2505   15.610   0.2264 -0.5345000 0.3377000 
1 1 1   46    6    1 o   16.500   0.2315   16.480   0.3298   16.530   0.3249 -0.5371000E-01 0.4629000 
1 1 1   46    6    2 o   3.6350   0.5663   2.4430   0.9200   4.8270   0.6606 -2.385000 1.133000 
1 1 1   46    6    3 o   6.5280   0.3636   6.4290   0.5225   6.6280   0.5057 -0.1993000 0.7271000 
1 1 1   46    6    4 o   2.6890   0.6858   2.9450   0.9873   2.4330   0.9522 0.5121000 1.372000 
1 1 1   46    6    5 f   23.600   0.2043   23.230   0.2884   23.960   0.2894 -0.7274000 0.4086000 
1 1 1   46    6    6 o   2.5090   0.7134   2.6130   1.0350   2.4050   0.9822 0.2079000 1.427000 
1 1 1   46    6    7 o   6.3620   0.4547   6.4770   0.6486   6.2470   0.6374 0.2306000 0.9094000 
1 1 1   46    6    8 o   5.8150   0.5306   5.8390   0.7908   5.7910   0.7077 0.4823000E-01 1.061000 
1 1 1   46    6    9 o   5.7040   0.7364   7.0300   0.9535   4.3790   1.1230 2.650000 1.473000 
1 1 1   46    6   10 o   6.1240   0.5426   5.8120   0.8354   6.4370   0.6926 -0.6256000 1.085000 
1 1 1   46    6   11 f   7.5000   0.4580   7.1640   0.7002   7.8360   0.5904 -0.6723000 0.9159000 
1 1 1   46    6   12 f   5.6860   0.6479   5.7790   0.8088   5.5920   1.0120 0.1871000 1.296000 
1 1 1   46    6   13 o   5.2090   0.6619   6.1470   0.7571   4.2710   1.0860 1.876000 1.324000 
1 1 1   46    6   14 o   5.4370   0.7808   5.4400   1.1080   5.4340   1.1000 0.6252000E-02 1.562000 
1 1 1   46    6   15 o   2.4490   0.7279   2.1940   0.9564   2.7040   1.0980 -0.5103000 1.456000 
1 1 1   46    6   16 o   3.2830   0.7771   3.6570   1.0590   2.9080   1.1370 0.7488000 1.554000 
1 1 1   46    6   17 o   2.0600   0.6646   2.1440   0.9496   1.9750   0.9302 0.1694000 1.329000 
1 1 1   46    6   18 o   3.2680   0.7341   4.1480   1.0290   2.3880   1.0470 1.759000 1.468000 
1 1 1   46    6   19 o   2.5500   0.7243   3.1190   1.1060   1.9810   0.9353 1.139000 1.449000 
1 1 1   46    6   20 o   2.1130   0.6919   2.2140   1.0080   2.0120   0.9486 0.2017000 1.384000 
1 1 1   46    6   21 o   2.1440   0.7152   2.2130   1.0210   2.0750   1.0020 0.1383000 1.430000 
1 1 1   46    8    0 o   3.7790   0.6388   4.5180   0.8675   3.0390   0.9379 1.479000 1.278000 
1 1 1   46    8    1 o   8.9410   0.2468   8.8330   0.3655   9.0480   0.3317 -0.2154000 0.4936000 
1 1 1   46    8    2 o   11.090   0.2338   11.380   0.3304   10.810   0.3308 0.5712000 0.4675000 
1 1 1   46    8    3 o   6.9980   0.3517   7.1300   0.4896   6.8650   0.5049 0.2652000 0.7033000 
1 1 1   46    8    4 o   9.4040   0.2925   9.2590   0.4376   9.5480   0.3881 -0.2892000 0.5849000 
1 1 1   46    8    5 o   3.3420   0.7211   3.1880   1.0370   3.4960   1.0020 -0.3084000 1.442000 
1 1 1   46    8    6 o   3.0390   0.7314   2.9150   1.0440   3.1640   1.0250 -0.2491000 1.463000 
1 1 1   46    8    7 o   9.9350   0.3115   10.080   0.4487   9.7860   0.4322 0.2983000 0.6230000 
1 1 1   46    8    8 o   8.9930   0.3650   9.3480   0.5244   8.6380   0.5079 0.7103000 0.7300000 
1 1 1   46    8    9 o   2.7890   0.8423   3.3780   1.3400   2.2010   1.0210 1.177000 1.685000 
1 1 1   46    8   10 o   3.0090   0.7532   2.0680   0.9422   3.9500   1.1750 -1.882000 1.506000 
1 1 1   46    8   11 o   3.9550   0.7993   4.0160   1.0580   3.8950   1.1990 0.1206000 1.599000 
1 1 1   46    8   12 o   4.7120   0.6965   4.6260   1.0010   4.7990   0.9684 -0.1729000 1.393000 
1 1 1   46    8   13 f   3.0850   0.8640   2.7460   1.1910   3.4250   1.2520 -0.6788000 1.728000 
1 1 1   46    8   14 o   2.4430   0.7395   2.7400   1.1130   2.1460   0.9738 0.5940000 1.479000 
1 1 1   46    8   15 o   1.8410   0.6243   1.7580   0.8553   1.9250   0.9097 -0.1673000 1.249000 
1 1 1   46    8   16 o   2.5030   0.7582   2.6300   1.1060   2.3760   1.0370 0.2539000 1.516000 
1 1 1   46    8   17 o   2.8020   0.7836   2.3350   1.0460   3.2690   1.1680 -0.9346000 1.567000 
1 1 1   46    8   18 o   2.5110   0.7547   3.0170   1.1800   2.0040   0.9408 1.013000 1.509000 
1 1 1   46    8   19 o   2.0350   0.6733   1.9640   0.9300   2.1060   0.9740 -0.1419000 1.347000 
1 1 1   46    8   20 o   1.8260   0.6212   1.9350   0.9111   1.7170   0.8447 0.2184000 1.242000 
1 1 1   46    8   21 o   2.2450   1.1260   2.2450   1.1260  ?   ?       ?      ? 
1 1 1   46   10    0 o   12.180   0.2039   11.900   0.3029   12.460   0.2729 -0.5617000 0.4077000 
1 1 1   46   10    1 o   12.270   0.2143   12.080   0.3147   12.460   0.2909 -0.3751000 0.4286000 
1 1 1   46   10    2 o   3.4040   0.6798   3.7030   0.9559   3.1050   0.9670 0.5984000 1.360000 
1 1 1   46   10    3 o   3.6810   0.6734   3.4660   1.0040   3.8960   0.8978 -0.4305000 1.347000 
1 1 1   46   10    4 o   3.2760   0.6721   2.4210   0.9904   4.1320   0.9087 -1.711000 1.344000 
1 1 1   46   10    5 o   10.950   0.2820   10.960   0.4138   10.940   0.3832 0.2716000E-01 0.5640000 
1 1 1   46   10    6 o   8.9830   0.3365   8.8180   0.5033   9.1470   0.4467 -0.3285000 0.6729000 
1 1 1   46   10    7 o   2.7650   0.6933   1.9800   0.9139   3.5510   1.0430 -1.570000 1.387000 
1 1 1   46   10    8 f   2.3190   0.7412   2.3510   1.0570   2.2870   1.0390 0.6399000E-01 1.482000 
1 1 1   46   10    9 o   2.8960   0.7591   3.3350   1.0800   2.4560   1.0680 0.8783000 1.518000 
1 1 1   46   10   10 o   2.1730   0.6765   2.4000   1.0060   1.9460   0.9047 0.4545000 1.353000 
1 1 1   46   10   11 o   4.3600   0.7180   4.1140   1.0430   4.6050   0.9869 -0.4908000 1.436000 
1 1 1   46   10   12 o   2.9000   0.8401   3.2870   1.2590   2.5140   1.1130 0.7731000 1.680000 
1 1 1   46   10   13 o   4.7580   0.8592   4.5040   1.2740   5.0110   1.1530 -0.5071000 1.718000 
1 1 1   46   10   14 o   2.1990   0.6956   1.8630   0.8925   2.5350   1.0670 -0.6725000 1.391000 
1 1 1   46   10   15 o   2.3690   0.7316   2.6430   1.1010   2.0950   0.9631 0.5480000 1.463000 
1 1 1   46   10   16 o   2.0920   0.6857   2.2130   1.0110   1.9710   0.9270 0.2417000 1.371000 
1 1 1   46   10   17 o   2.8400   0.7866   2.3260   1.0530   3.3540   1.1680 -1.028000 1.573000 
1 1 1   46   10   18 o   2.3430   0.7320   1.8920   0.9269   2.7950   1.1330 -0.9031000 1.464000 
1 1 1   46   10   19 o   2.2550   0.7171   1.8440   0.8996   2.6650   1.1170 -0.8205000 1.434000 
1 1 1   46   10   20 o   1.9870   0.6923   1.8050   0.9059   2.1680   1.0470 -0.3629000 1.385000 
1 1 1   46   12    0 o   2.9140   0.6584   2.9370   0.9659   2.8900   0.8949 0.4730000E-01 1.317000 
1 1 1   46   12    1 o   7.8210   0.3153   7.1360   0.5047   8.5060   0.3781 -1.369000 0.6307000 
1 1 1   46   12    2 f   18.890   0.2103   19.020   0.3282   18.750   0.2630 0.2665000 0.4206000 
1 1 1   46   12    3 o   2.5320   0.6984   2.6540   1.0170   2.4090   0.9577 0.2451000 1.397000 
1 1 1   46   12    4 o   2.8550   0.6734   2.0120   0.9074   3.6980   0.9952 -1.686000 1.347000 
1 1 1   46   12    5 o   3.2520   0.7355   3.5300   1.0480   2.9740   1.0320 0.5565000 1.471000 
1 1 1   46   12    6 f   3.0330   0.8440   2.3470   0.9933   3.7190   1.3650 -1.371000 1.688000 
1 1 1   46   12    7 o   10.550   0.4806   11.260   0.5327   9.8410   0.8000 1.421000 0.9612000 
1 1 1   46   12    8 o   4.1960   0.7200   3.8450   1.0600   4.5460   0.9751 -0.7019000 1.440000 
1 1 1   46   12    9 o   2.3550   0.7123   2.3190   0.9977   2.3920   1.0170 -0.7307000E-01 1.425000 
1 1 1   46   12   10 o   2.6220   0.7460   2.3800   1.0200   2.8650   1.0890 -0.4854000 1.492000 
1 1 1   46   12   11 o   4.2220   0.8775   4.4020   1.2500   4.0420   1.2320 0.3598000 1.755000 
1 1 1   46   12   12 o   7.8350   0.5563   7.4010   0.8413   8.2700   0.7281 -0.8687000 1.113000 
1 1 1   46   12   13 o   4.6750   0.7469   4.5240   1.0840   4.8260   1.0270 -0.3021000 1.494000 
1 1 1   46   12   14 o   3.3510   0.7383   4.4420   1.0770   2.2600   1.0100 2.182000 1.477000 
1 1 1   46   12   15 o   3.2690   0.8056   2.8460   1.1240   3.6910   1.1550 -0.8456000 1.611000 
1 1 1   46   12   16 o   2.4290   0.7588   2.5910   1.1260   2.2660   1.0180 0.3258000 1.518000 
1 1 1   46   12   17 o   2.4800   0.7571   2.2120   1.0260   2.7480   1.1130 -0.5358000 1.514000 
1 1 1   46   12   18 o   2.4530   0.7539   2.5350   1.0880   2.3700   1.0440 0.1649000 1.508000 
1 1 1   46   12   19 o   2.1340   1.0730   2.1340   1.0730  ?   ?       ?      ? 
1 1 1   46   14    0 o   5.9790   0.4086   6.3740   0.5726   5.5840   0.5831 0.7899000 0.8172000 
1 1 1   46   14    1 o   13.860   0.2349   13.980   0.3615   13.750   0.3001 0.2343000 0.4698000 
1 1 1   46   14    2 o   8.5380   0.3322   8.3170   0.5135   8.7590   0.4215 -0.4420000 0.6643000 
1 1 1   46   14    3 o   7.3550   0.4027   7.6210   0.5717   7.0880   0.5674 0.5331000 0.8055000 
1 1 1   46   14    4 o   7.0700   0.4174   7.6570   0.5333   6.4840   0.6422 1.173000 0.8348000 
1 1 1   46   14    5 o   3.6190   0.8318   3.7760   1.1920   3.4630   1.1600 0.3136000 1.664000 
1 1 1   46   14    6 o   1.8870   0.6236   1.8620   0.8721   1.9110   0.8915 -0.4838000E-01 1.247000 
1 1 1   46   14    7 o   2.6720   0.7433   2.7670   1.0600   2.5770   1.0420 0.1898000 1.487000 
1 1 1   46   14    8 o   2.7160   0.7356   2.1690   0.9637   3.2620   1.1120 -1.093000 1.471000 
1 1 1   46   14    9 o   3.1220   0.7389   3.9120   1.0780   2.3320   1.0110 1.580000 1.478000 
1 1 1   46   14   10 o   3.0740   0.8658   3.1110   1.2360   3.0370   1.2130 0.7367000E-01 1.732000 
1 1 1   46   14   11 o   5.6220   0.6155   5.7390   0.8688   5.5040   0.8721 0.2352000 1.231000 
1 1 1   46   14   12 o   4.0590   0.7587   3.2210   1.1640   4.8980   0.9734 -1.677000 1.517000 
1 1 1   46   14   13 o   2.8620   0.7893   3.1400   1.1550   2.5840   1.0770 0.5556000 1.579000 
1 1 1   46   14   14 o   2.7390   0.7806   2.4970   1.0710   2.9810   1.1360 -0.4836000 1.561000 
1 1 1   46   14   15 o   2.3130   0.7386   2.2900   1.0490   2.3370   1.0400 -0.4674000E-01 1.477000 
1 1 1   46   14   16 o   2.5520   0.7519   3.0510   1.1560   2.0530   0.9619 0.9976000 1.504000 
1 1 1   46   14   17 o   1.8760   0.6349   2.2180   1.0130   1.5350   0.7659 0.6832000 1.270000 
1 1 1   46   16    0 o   4.6530   0.6201   4.1100   1.0070   5.1950   0.7238 -1.085000 1.240000 
1 1 1   46   16    1 o   4.0330   0.6678   4.3920   0.9667   3.6740   0.9217 0.7180000 1.336000 
1 1 1   46   16    2 o   2.5590   0.7581   2.4680   1.0780   2.6500   1.0670 -0.1820000 1.516000 
1 1 1   46   16    3 o   4.1550   0.7546   3.2780   1.1880   5.0320   0.9303 -1.754000 1.509000 
1 1 1   46   16    4 o   4.1080   0.6854   3.7440   1.0540   4.4730   0.8765 -0.7290000 1.371000 
1 1 1   46   16    5 o   3.4830   0.7555   3.3650   1.0930   3.6000   1.0440 -0.2352000 1.511000 
1 1 1   46   16    6 o   3.0090   0.7611   2.7950   1.0800   3.2220   1.0730 -0.4266000 1.522000 
1 1 1   46   16    7 o   5.0210   0.6701   5.1670   0.8980   4.8760   0.9950 0.2909000 1.340000 
1 1 1   46   16    8 o   3.8780   0.7779   3.4360   1.1330   4.3210   1.0660 -0.8846000 1.556000 
1 1 1   46   16    9 o   2.1400   0.7145   2.1380   1.0170   2.1430   1.0040 -0.5232000E-02 1.429000 
1 1 1   46   16   10 o   2.3480   0.7048   2.9390   1.1260   1.7580   0.8483 1.181000 1.410000 
1 1 1   46   16   11 o   2.7200   0.7724   2.3660   1.0410   3.0730   1.1410 -0.7066000 1.545000 
1 1 1   46   16   12 o   1.9540   0.6520   1.9410   0.9183   1.9670   0.9260 -0.2507000E-01 1.304000 
1 1 1   46   16   13 o   2.2770   0.7292   2.5140   1.1080   2.0410   0.9490 0.4731000 1.458000 
1 1 1   46   16   14 o   3.2160   0.8185   2.9460   1.1480   3.4860   1.1670 -0.5404000 1.637000 
1 1 1   46   16   15 f   2.0880   0.6771   2.4880   1.0730   1.6870   0.8266 0.8018000 1.354000 
1 1 1   46   16   16 o   2.6320   0.8590   2.6540   1.1940   2.6100   1.2350 0.4379000E-01 1.718000 
1 1 1   46   18    0 o   6.3940   0.6179   6.1850   1.0180   6.6020   0.7014 -0.4174000 1.236000 
1 1 1   46   18    1 o   3.3340   0.7329   3.1200   1.0840   3.5490   0.9864 -0.4288000 1.466000 
1 1 1   46   18    2 o   2.5350   0.7112   2.6610   1.0390   2.4090   0.9719 0.2518000 1.422000 
1 1 1   46   18    3 o   6.1090   0.4777   6.0040   0.7259   6.2130   0.6212 -0.2084000 0.9554000 
1 1 1   46   18    4 o   3.7510   0.7289   3.3480   1.0920   4.1550   0.9661 -0.8063000 1.458000 
1 1 1   46   18    5 o   2.6630   0.7425   2.6350   1.0620   2.6910   1.0380 -0.5663000E-01 1.485000 
1 1 1   46   18    6 o   2.0770   0.6966   2.3320   1.0810   1.8220   0.8784 0.5099000 1.393000 
1 1 1   46   18    7 o   2.7900   1.1210  ?   ?    2.7900   1.1210      ?      ? 
1 1 1   46   18    8 o   2.5190   0.7455   2.4700   1.0590   2.5680   1.0490 -0.9834000E-01 1.491000 
1 1 1   46   18    9 o   1.8680   0.6338   1.9000   0.9064   1.8350   0.8862 0.6433000E-01 1.268000 
1 1 1   46   18   10 o   2.3290   0.7292   2.0580   0.9751   2.6000   1.0840 -0.5418000 1.458000 
1 1 1   46   18   11 o   2.7080   0.7950   2.5820   1.1210   2.8340   1.1270 -0.2521000 1.590000 
1 1 1   46   18   12 o   3.1210   0.8008   2.6090   1.0950   3.6340   1.1680 -1.025000 1.602000 
1 1 1   46   18   13 o   2.6190   0.7722   2.8940   1.1430   2.3440   1.0390 0.5499000 1.544000 
1 1 1   46   18   14 o   2.7790   1.3400   2.7790   1.3400  ?   ?       ?      ? 
1 1 1   46   20    0 o   5.5510   0.5301   5.6640   0.7845   5.4380   0.7132 0.2255000 1.060000 
1 1 1   46   20    1 o   3.1940   0.7584   3.1740   1.1060   3.2130   1.0380 -0.3835000E-01 1.517000 
1 1 1   46   20    2 f   9.5150   0.3384   9.7300   0.4987   9.3000   0.4575 0.4303000 0.6768000 
1 1 1   46   20    3 o   3.4060   0.7697   3.0490   1.1270   3.7630   1.0490 -0.7141000 1.539000 
1 1 1   46   20    4 o   2.9570   0.8083   3.8990   1.3180   2.0150   0.9360 1.884000 1.617000 
1 1 1   46   20    5 o   3.5720   0.7824   3.6650   1.1510   3.4780   1.0610 0.1876000 1.565000 
1 1 1   46   20    6 o   1.9230   0.6363   2.1690   0.9832   1.6780   0.8079 0.4909000 1.273000 
1 1 1   46   20    7 o   2.6580   0.7926   2.8790   1.1840   2.4360   1.0540 0.4432000 1.585000 
1 1 1   46   20    8 o   3.3160   0.8509   3.7330   1.2540   2.8990   1.1510 0.8344000 1.702000 
1 1 1   46   20    9 f   2.4410   0.7364   2.8500   1.1300   2.0320   0.9442 0.8184000 1.473000 
1 1 1   46   20   10 o   2.0400   0.6679   1.8220   0.8820   2.2590   1.0030 -0.4371000 1.336000 
1 1 1   46   20   11 o   1.8920   0.6454   1.8530   0.8975   1.9300   0.9277 -0.7710000E-01 1.291000 
1 1 1   46   22    0 o   2.0710   0.6878   2.1960   1.0310   1.9460   0.9103 0.2507000 1.376000 
1 1 1   46   22    1 o   2.6490   0.8008   3.1390   1.2670   2.1590   0.9801 0.9800000 1.602000 
1 1 1   46   22    2 o   3.2790   0.8305   3.4750   1.2300   3.0840   1.1160 0.3910000 1.661000 
1 1 1   46   22    3 o   2.0110   0.6716   2.2840   1.0480   1.7380   0.8408 0.5462000 1.343000 
1 1 1   46   22    4 o   2.2690   0.7209   2.2290   1.0230   2.3090   1.0160 -0.7993000E-01 1.442000 
1 1 1   46   22    5 o   2.4800   0.7249   2.1640   0.9819   2.7960   1.0670 -0.6322000 1.450000 
1 1 1   46   22    6 o   2.1420   0.6839   2.2650   1.0080   2.0180   0.9242 0.2472000 1.368000 
1 1 1   46   22    7 o   2.0400   0.6649   2.0530   0.9550   2.0280   0.9254 0.2526000E-01 1.330000 
1 1 1   46   24    0 o   1.7920   0.6055   1.9230   0.9095   1.6620   0.7997 0.2610000 1.211000 
1 1 1   46   24    1 o   3.0480   0.8622   3.5790   1.3130   2.5170   1.1180 1.062000 1.724000 
1 1 1   47    1    0 o   5.1140   0.7310   5.1140   0.7310  ?   ?       ?      ? 
1 1 1   47    1    1 o   7.0540   0.4824   6.7100   0.5938   7.3970   0.7604 -0.6872000 0.9648000 
1 1 1   47    1    2 o   2.5140   0.6641   2.6980   0.9610   2.3300   0.9168 0.3686000 1.328000 
1 1 1   47    1    3 o   5.8140   0.4199   5.7730   0.6172   5.8560   0.5695 -0.8258000E-01 0.8398000 
1 1 1   47    1    4 f   6.2740   0.4097   6.2930   0.5935   6.2540   0.5650 0.3905000E-01 0.8195000 
1 1 1   47    1    5 f   3.3510   0.7098   3.5550   0.9935   3.1470   1.0140 0.4078000 1.420000 
1 1 1   47    1    6 o   7.6630   0.3642   7.5650   0.5183   7.7610   0.5117 -0.1960000 0.7284000 
1 1 1   47    1    7 o   4.1060   0.6673   3.7080   1.0040   4.5050   0.8790 -0.7967000 1.335000 
1 1 1   47    1    8 o   3.5130   0.7278   3.9070   1.0050   3.1180   1.0530 0.7891000 1.456000 
1 1 1   47    1    9 f   5.5150   0.6452   5.5840   0.8932   5.4470   0.9314 0.1370000 1.290000 
1 1 1   47    1   10 o   2.7680   0.7475   3.0460   1.0890   2.4910   1.0250 0.5545000 1.495000 
1 1 1   47    1   11 o   2.5160   0.7321   2.5430   1.0410   2.4890   1.0300 0.5402000E-01 1.464000 
1 1 1   47    1   12 o   6.5050   0.5023   5.8730   0.7767   7.1370   0.6371 -1.264000 1.005000 
1 1 1   47    1   13 o   2.6540   0.8094   2.5000   1.1110   2.8080   1.1780 -0.3079000 1.619000 
1 1 1   47    1   14 o   4.9240   0.8259   4.1170   1.2740   5.7320   1.0510 -1.615000 1.652000 
1 1 1   47    1   15 o   5.7080   0.6032   5.6460   0.8637   5.7690   0.8424 -0.1223000 1.206000 
1 1 1   47    1   16 o   2.6900   0.7778   2.7100   1.1050   2.6700   1.0950 0.3983000E-01 1.556000 
1 1 1   47    1   17 o   2.3920   0.7345   2.0400   0.9516   2.7440   1.1190 -0.7044000 1.469000 
1 1 1   47    1   18 o   4.0670   0.8152   4.3930   1.1240   3.7400   1.1810 0.6531000 1.630000 
1 1 1   47    1   19 o   2.6310   0.7578   3.2680   1.1890   1.9930   0.9403 1.275000 1.516000 
1 1 1   47    1   20 o   2.3300   0.7537   2.5470   1.1430   2.1130   0.9825 0.4337000 1.507000 
1 1 1   47    1   21 o   1.9730   0.6861   1.8250   0.9217   2.1200   1.0160 -0.2949000 1.372000 
1 1 1   47    3    0 o   12.390   0.2121   11.900   0.3282   12.880   0.2688 -0.9786000 0.4242000 
1 1 1   47    3    1 o   3.7850   0.6331   4.1360   0.9215   3.4340   0.8683 0.7016000 1.266000 
1 1 1   47    3    2 o   2.5170   0.7780   2.7580   1.2170   2.2750   0.9696 0.4829000 1.556000 
1 1 1   47    3    3 o   4.7050   0.5855   5.0380   0.8795   4.3710   0.7731 0.6669000 1.171000 
1 1 1   47    3    4 o   6.1420   0.4620   6.2740   0.7209   6.0110   0.5779 0.2625000 0.9240000 
1 1 1   47    3    5 o   2.7690   0.7399   2.6570   1.0960   2.8820   0.9937 -0.2257000 1.480000 
1 1 1   47    3    6 o   2.8330   0.7520   3.5720   1.1930   2.0930   0.9161 1.479000 1.504000 
1 1 1   47    3    7 o   6.6250   0.4923   7.4360   0.7054   5.8140   0.6869 1.623000 0.9845000 
1 1 1   47    3    8 o   7.1000   0.4411   7.3130   0.6626   6.8870   0.5825 0.4261000 0.8822000 
1 1 1   47    3    9 o   2.8820   0.7660   3.1810   1.0820   2.5830   1.0850 0.5977000 1.532000 
1 1 1   47    3   10 o   7.9600   0.3944   7.8120   0.5692   8.1090   0.5460 -0.2970000 0.7887000 
1 1 1   47    3   11 o   2.2950   0.7031   2.1230   0.9517   2.4670   1.0350 -0.3438000 1.406000 
1 1 1   47    3   12 o   5.0820   0.6426   5.6570   0.8122   4.5060   0.9959 1.151000 1.285000 
1 1 1   47    3   13 o   2.4140   0.7398   1.6910   0.8396   3.1370   1.2180 -1.446000 1.480000 
1 1 1   47    3   14 o   7.2420   0.6042   7.1410   0.8901   7.3420   0.8173 -0.2008000 1.208000 
1 1 1   47    3   15 o   3.7370   0.7993   4.0960   1.1220   3.3770   1.1390 0.7193000 1.599000 
1 1 1   47    3   16 f   3.0160   0.7584   2.1090   0.9945   3.9230   1.1450 -1.814000 1.517000 
1 1 1   47    3   17 o   2.2340   0.7266   2.5370   1.1300   1.9300   0.9137 0.6073000 1.453000 
1 1 1   47    3   18 o   2.7210   0.8126   2.3970   1.1470   3.0460   1.1510 -0.6489000 1.625000 
1 1 1   47    3   19 o   2.1470   0.7408   2.8320   1.2860   1.4630   0.7358 1.369000 1.482000 
1 1 1   47    3   20 o   2.6410   0.8451   3.2650   1.3960   2.0170   0.9533 1.248000 1.690000 
1 1 1   47    3   21 o   2.0600   0.7039   2.3430   1.0950   1.7770   0.8845 0.5660000 1.408000 
1 1 1   47    5    0 f   10.780   0.2397   10.730   0.3765   10.820   0.2966 -0.8861000E-01 0.4793000 
1 1 1   47    5    1 o   7.2280   0.5425   7.8680   0.9164   6.5880   0.5810 1.280000 1.085000 
1 1 1   47    5    2 o   5.2530   0.5530   4.8120   0.9542   5.6950   0.5593 -0.8828000 1.106000 
1 1 1   47    5    3 o   4.1270   0.6568   3.4320   1.1180   4.8230   0.6903 -1.391000 1.314000 
1 1 1   47    5    4 o   9.0520   0.3306   9.0340   0.5294   9.0690   0.3962 -0.3546000E-01 0.6612000 
1 1 1   47    5    5 o   9.7000   0.3236   9.9270   0.5091   9.4740   0.3996 0.4527000 0.6472000 
1 1 1   47    5    6 o   10.700   0.3173   10.670   0.5008   10.720   0.3898 -0.5255000E-01 0.6346000 
1 1 1   47    5    7 o   3.5030   0.8196   3.4140   1.2810   3.5920   1.0230 -0.1775000 1.639000 
1 1 1   47    5    8 o   6.4390   0.5614   5.5810   0.9694   7.2980   0.5664 -1.717000 1.123000 
1 1 1   47    5    9 o   5.3690   0.7088   5.9990   0.9257   4.7390   1.0740 1.259000 1.418000 
1 1 1   47    5   10 o   3.9760   0.8168   4.0340   1.2350   3.9190   1.0690 0.1149000 1.634000 
1 1 1   47    5   11 o   5.0200   0.7190   5.1600   1.0890   4.8810   0.9391 0.2795000 1.438000 
1 1 1   47    5   12 o   3.7200   0.8724   3.7910   1.2320   3.6490   1.2360 0.1417000 1.745000 
1 1 1   47    5   13 o   3.7430   0.7905   3.3410   1.1380   4.1450   1.0980 -0.8036000 1.581000 
1 1 1   47    5   14 o   2.1370   1.0080  ?   ?    2.1370   1.0080      ?      ? 
1 1 1   47    5   15 o   2.7150   0.8250   3.5520   1.3850   1.8780   0.8963 1.673000 1.650000 
1 1 1   47    5   16 o   3.2190   0.8905   3.1740   1.3480   3.2650   1.1630 -0.9157000E-01 1.781000 
1 1 1   47    5   17 o   2.9230   0.8193   2.4110   1.1460   3.4350   1.1720 -1.024000 1.639000 
1 1 1   47    5   18 o   2.1080   0.7033   2.1530   1.0250   2.0640   0.9632 0.8841000E-01 1.407000 
1 1 1   47    5   19 o   2.2790   0.7233   1.9940   0.9464   2.5650   1.0940 -0.5711000 1.447000 
1 1 1   47    5   20 f   2.9160   0.8299   2.6090   1.1600   3.2240   1.1880 -0.6147000 1.660000 
1 1 1   47    5   21 o   2.0780   0.7058   1.7370   0.8656   2.4190   1.1150 -0.6818000 1.412000 
1 1 1   47    7    0 o   7.6980   0.2592   7.6770   0.3780   7.7190   0.3547 -0.4235000E-01 0.5183000 
1 1 1   47    7    1 o   10.830   0.2798   10.590   0.4047   11.070   0.3864 -0.4802000 0.5596000 
1 1 1   47    7    2 o   8.1880   0.2835   8.5470   0.3874   7.8290   0.4140 0.7182000 0.5670000 
1 1 1   47    7    3 f   2.5520   0.6540   2.9300   0.9451   2.1730   0.9041 0.7571000 1.308000 
1 1 1   47    7    4 o   3.7660   0.6277   3.2070   0.9606   4.3250   0.8083 -1.118000 1.255000 
1 1 1   47    7    5 o   12.040   0.2600   12.080   0.3752   12.000   0.3600 0.7217000E-01 0.5199000 
1 1 1   47    7    6 o   14.400   0.2432   14.100   0.3617   14.700   0.3253 -0.5976000 0.4865000 
1 1 1   47    7    7 o   3.5140   0.7160   3.8750   0.9664   3.1530   1.0570 0.7219000 1.432000 
1 1 1   47    7    8 o   5.3750   0.5413   5.4570   0.7559   5.2930   0.7750 0.1643000 1.083000 
1 1 1   47    7    9 o   4.0980   0.8480   4.4060   1.1890   3.7900   1.2090 0.6162000 1.696000 
1 1 1   47    7   10 o   2.6390   0.7279   3.0950   1.0870   2.1830   0.9688 0.9122000 1.456000 
1 1 1   47    7   11 o   2.6710   0.7817   2.7200   1.1070   2.6220   1.1050 0.9819000E-01 1.563000 
1 1 1   47    7   12 o   2.3790   0.7268   2.1180   0.9783   2.6390   1.0750 -0.5209000 1.454000 
1 1 1   47    7   13 o   2.5680   0.8206   3.0800   1.3170   2.0560   0.9793 1.024000 1.641000 
1 1 1   47    7   14 o   4.6130   0.7727   4.8010   1.1350   4.4260   1.0490 0.3753000 1.545000 
1 1 1   47    7   15 o   5.3050   0.6605   5.2230   0.9603   5.3880   0.9071 -0.1645000 1.321000 
1 1 1   47    7   16 o   3.2730   0.8213   3.5890   1.1810   2.9570   1.1410 0.6330000 1.643000 
1 1 1   47    7   17 o   3.0700   0.7964   2.9210   1.0860   3.2190   1.1650 -0.2981000 1.593000 
1 1 1   47    7   18 o   2.5790   0.7387   3.0150   1.1040   2.1420   0.9821 0.8738000 1.477000 
1 1 1   47    7   19 o   2.1590   0.6999   2.0370   0.9547   2.2800   1.0240 -0.2432000 1.400000 
1 1 1   47    7   20 o   2.5020   0.7606   2.4040   1.0400   2.6010   1.1100 -0.1966000 1.521000 
1 1 1   47    9    0 o   6.7600   0.3892   6.5570   0.6154   6.9620   0.4767 -0.4052000 0.7784000 
1 1 1   47    9    1 o   3.9500   0.5454   4.1240   0.7728   3.7750   0.7699 0.3483000 1.091000 
1 1 1   47    9    2 o   13.520   0.2091   13.510   0.2948   13.530   0.2967 -0.2061000E-01 0.4182000 
1 1 1   47    9    3 o   7.6320   0.3421   7.1280   0.5292   8.1360   0.4336 -1.009000 0.6842000 
1 1 1   47    9    4 o   2.2570   0.6656   2.2790   0.9578   2.2340   0.9244 0.4526000E-01 1.331000 
1 1 1   47    9    5 o   11.630   0.2556   11.270   0.3646   11.990   0.3582 -0.7157000 0.5111000 
1 1 1   47    9    6 o   2.4770   0.6843   2.0330   0.8985   2.9220   1.0320 -0.8893000 1.369000 
1 1 1   47    9    7 o   2.5870   0.7087   2.9590   1.0470   2.2150   0.9551 0.7443000 1.417000 
1 1 1   47    9    8 o   2.8500   0.7678   1.9550   0.9343   3.7440   1.2190 -1.789000 1.536000 
1 1 1   47    9    9 o   3.2380   0.7944   3.8030   1.1350   2.6720   1.1120 1.131000 1.589000 
1 1 1   47    9   10 o   3.0280   0.8100   2.7290   1.1020   3.3260   1.1880 -0.5975000 1.620000 
1 1 1   47    9   11 o   2.1540   0.6887   2.0270   0.9478   2.2800   0.9995 -0.2528000 1.377000 
1 1 1   47    9   12 o   3.9390   0.7566   3.1860   1.1400   4.6910   0.9950 -1.505000 1.513000 
1 1 1   47    9   13 o   2.3140   0.7482   2.0790   0.9963   2.5480   1.1170 -0.4698000 1.496000 
1 1 1   47    9   14 o   3.8290   0.8081   3.6040   1.1680   4.0540   1.1180 -0.4496000 1.616000 
1 1 1   47    9   15 o   3.9680   0.7298   2.6540   1.1120   5.2820   0.9450 -2.629000 1.460000 
1 1 1   47    9   16 o   3.1360   0.8290   3.4490   1.2180   2.8230   1.1250 0.6256000 1.658000 
1 1 1   47    9   17 o   2.0020   0.6661   2.3940   1.0680   1.6090   0.7963 0.7844000 1.332000 
1 1 1   47    9   18 o   2.2740   0.7367   2.4020   1.0950   2.1470   0.9855 0.2556000 1.473000 
1 1 1   47    9   19 f   2.4090   0.7542   2.4270   1.0820   2.3900   1.0510 0.3706000E-01 1.508000 
1 1 1   47    9   20 o   2.3380   0.8113   1.9260   0.9609   2.7500   1.3070 -0.8236000 1.623000 
1 1 1   47   11    0 o   6.0390   0.4024   5.9290   0.6112   6.1480   0.5237 -0.2190000 0.8048000 
1 1 1   47   11    1 o   7.0540   0.3713   6.3740   0.5962   7.7350   0.4428 -1.361000 0.7427000 
1 1 1   47   11    2 f   13.940   0.2124   13.930   0.3115   13.960   0.2887 -0.2514000E-01 0.4247000 
1 1 1   47   11    3 o   4.8140   0.5082   5.1100   0.7098   4.5190   0.7275 0.5908000 1.016000 
1 1 1   47   11    4 o   4.3330   0.6050   4.1130   0.8780   4.5530   0.8326 -0.4408000 1.210000 
1 1 1   47   11    5 o   2.8870   0.7157   2.5430   0.9897   3.2310   1.0340 -0.6875000 1.431000 
1 1 1   47   11    6 o   10.070   0.2976   9.5860   0.4363   10.560   0.4048 -0.9717000 0.5951000 
1 1 1   47   11    7 o   2.4290   0.7907   2.0660   0.9911   2.7910   1.2320 -0.7256000 1.581000 
1 1 1   47   11    8 o   10.370   0.3684   10.040   0.5266   10.690   0.5153 -0.6519000 0.7368000 
1 1 1   47   11    9 o   4.0280   0.7770   3.8560   1.1480   4.1990   1.0470 -0.3427000 1.554000 
1 1 1   47   11   10 o   3.0340   0.7092   2.0510   0.9355   4.0170   1.0660 -1.966000 1.418000 
1 1 1   47   11   11 o   1.8510   0.6200   1.7330   0.8340   1.9690   0.9177 -0.2362000 1.240000 
1 1 1   47   11   12 o   4.3220   0.8621   3.5680   1.2870   5.0760   1.1470 -1.508000 1.724000 
1 1 1   47   11   13 f   3.1840   0.7738   3.8990   1.1350   2.4700   1.0520 1.429000 1.548000 
1 1 1   47   11   14 f   3.7250   0.8079   3.4940   1.1590   3.9550   1.1260 -0.4612000 1.616000 
1 1 1   47   11   15 o   2.1240   0.6859   2.3770   1.0400   1.8720   0.8940 0.5047000 1.372000 
1 1 1   47   11   16 o   2.3810   0.7124   1.7260   0.8428   3.0370   1.1490 -1.311000 1.425000 
1 1 1   47   11   17 o   3.3170   0.8475   2.9170   1.2110   3.7180   1.1860 -0.8015000 1.695000 
1 1 1   47   11   18 o   2.3750   0.7161   1.7010   0.8386   3.0490   1.1610 -1.348000 1.432000 
1 1 1   47   11   19 o   2.4550   0.7543   3.1390   1.2210   1.7720   0.8860 1.367000 1.509000 
1 1 1   47   13    0 o   2.6950   0.6703   2.9630   0.9865   2.4260   0.9078 0.5372000 1.341000 
1 1 1   47   13    1 o   14.370   0.2095   14.250   0.3137   14.490   0.2777 -0.2384000 0.4190000 
1 1 1   47   13    2 o   12.040   0.2405   11.990   0.3539   12.090   0.3257 -0.9646000E-01 0.4810000 
1 1 1   47   13    3 o   5.8100   0.4543   5.9510   0.6421   5.6690   0.6430 0.2822000 0.9087000 
1 1 1   47   13    4 o   3.8400   0.6668   4.2120   0.9137   3.4680   0.9714 0.7447000 1.334000 
1 1 1   47   13    5 o   3.4370   0.8617   3.0550   1.0990   3.8190   1.3280 -0.7643000 1.723000 
1 1 1   47   13    6 o   7.2930   0.6887   6.9570   0.9677   7.6290   0.9802 -0.6716000 1.377000 
1 1 1   47   13    7 o   2.1380   0.6698   1.7680   0.8527   2.5090   1.0330 -0.7404000 1.340000 
1 1 1   47   13    8 o   1.7360   0.5878   1.8110   0.8560   1.6600   0.8056 0.1509000 1.176000 
1 1 1   47   13    9 o   2.4150   0.7129   2.8080   1.0820   2.0230   0.9285 0.7853000 1.426000 
1 1 1   47   13   10 o   2.0550   0.6648   2.0320   0.9349   2.0770   0.9456 -0.4512000E-01 1.330000 
1 1 1   47   13   11 o   2.9590   0.8392   2.5310   1.1310   3.3870   1.2400 -0.8563000 1.678000 
1 1 1   47   13   12 f   2.6660   0.7378   3.3780   1.1570   1.9540   0.9165 1.424000 1.476000 
1 1 1   47   13   13 o   2.3810   0.7301   2.7030   1.1070   2.0580   0.9522 0.6453000 1.460000 
1 1 1   47   13   14 o   2.2020   0.7050   2.1330   0.9773   2.2710   1.0160 -0.1377000 1.410000 
1 1 1   47   13   15 o   3.8380   0.8249   3.3310   1.2190   4.3450   1.1120 -1.014000 1.650000 
1 1 1   47   13   16 o   2.4910   0.7815   1.7510   0.8612   3.2300   1.3040 -1.480000 1.563000 
1 1 1   47   13   17 o   1.9790   0.6619   2.0290   0.9526   1.9300   0.9192 0.9905000E-01 1.324000 
1 1 1   47   15    0 o   7.2740   0.3518   6.8630   0.5436   7.6860   0.4467 -0.8238000 0.7036000 
1 1 1   47   15    1 o   12.510   0.2475   12.590   0.3520   12.440   0.3481 0.1562000 0.4950000 
1 1 1   47   15    2 o   3.3540   0.7011   3.9200   0.9626   2.7890   1.0200 1.131000 1.402000 
1 1 1   47   15    3 o   4.3520   0.7051   3.8310   1.0600   4.8730   0.9304 -1.043000 1.410000 
1 1 1   47   15    4 o   3.3180   0.8333   2.7270   1.1890   3.9100   1.1680 -1.183000 1.667000 
1 1 1   47   15    5 o   5.2990   0.6084   5.0520   0.9636   5.5450   0.7430 -0.4927000 1.217000 
1 1 1   47   15    6 o   3.0730   0.7502   2.8270   1.0770   3.3190   1.0440 -0.4920000 1.500000 
1 1 1   47   15    7 o   2.9120   0.7523   3.4110   1.1040   2.4140   1.0230 0.9969000 1.505000 
1 1 1   47   15    8 o   5.3510   0.6252   4.8280   0.9652   5.8740   0.7949 -1.046000 1.250000 
1 1 1   47   15    9 o   3.0910   0.8377   2.4240   1.1050   3.7580   1.2600 -1.334000 1.675000 
1 1 1   47   15   10 o   4.3880   0.8530   5.3760   1.1680   3.4000   1.2440 1.976000 1.706000 
1 1 1   47   15   11 o   2.4540   0.7316   2.9050   1.1280   2.0040   0.9319 0.9013000 1.463000 
1 1 1   47   15   12 o   1.7700   0.6065   1.8050   0.8711   1.7350   0.8442 0.7002000E-01 1.213000 
1 1 1   47   15   13 o   4.0350   0.7410   5.2670   0.9749   2.8020   1.1160 2.465000 1.482000 
1 1 1   47   15   14 o   4.1120   0.8395   4.0280   1.2400   4.1960   1.1320 -0.1686000 1.679000 
1 1 1   47   15   15 o   2.3210   0.7326   2.3640   1.0500   2.2790   1.0220 0.8488000E-01 1.465000 
1 1 1   47   15   16 o   2.1210   0.6935   1.9760   0.9375   2.2660   1.0220 -0.2908000 1.387000 
1 1 1   47   17    0 o   2.5270   0.6952   2.9880   1.0280   2.0670   0.9360 0.9212000 1.390000 
1 1 1   47   17    1 o   3.2560   0.7855   4.0170   1.1750   2.4950   1.0430 1.522000 1.571000 
1 1 1   47   17    2 o   3.0200   0.7404   2.4570   1.1140   3.5830   0.9749 -1.125000 1.481000 
1 1 1   47   17    3 o   4.2900   0.7037   3.6970   1.1440   4.8820   0.8201 -1.185000 1.407000 
1 1 1   47   17    4 o   8.4570   0.3804   8.4380   0.5900   8.4760   0.4804 -0.3811000E-01 0.7609000 
1 1 1   47   17    5 o   3.9730   0.7156   2.8010   1.0770   5.1460   0.9428 -2.345000 1.431000 
1 1 1   47   17    6 o   4.2630   0.7223   4.5740   1.0040   3.9510   1.0390 0.6229000 1.445000 
1 1 1   47   17    7 o   4.4210   0.8390   4.4010   1.2770   4.4420   1.0890 -0.4119000E-01 1.678000 
1 1 1   47   17    8 o   4.9050   0.8639   5.1010   1.2280   4.7100   1.2160 0.3913000 1.728000 
1 1 1   47   17    9 o   3.2820   0.7724   4.0850   1.1340   2.4790   1.0490 1.606000 1.545000 
1 1 1   47   17   10 o   2.4720   0.7000   1.5600   0.7892   3.3840   1.1560 -1.824000 1.400000 
1 1 1   47   17   11 o   3.1360   0.7854   2.3700   1.0700   3.9010   1.1500 -1.531000 1.571000 
1 1 1   47   17   12 o   2.7340   0.7548   3.7580   1.2580   1.7100   0.8340 2.048000 1.510000 
1 1 1   47   17   13 o   2.3190   0.7294   2.4070   1.0580   2.2300   1.0040 0.1763000 1.459000 
1 1 1   47   17   14 o   1.9700   0.6524   2.3670   1.0460   1.5730   0.7801 0.7941000 1.305000 
1 1 1   47   19    0 o   2.8060   0.7480   3.1630   1.1320   2.4490   0.9785 0.7140000 1.496000 
1 1 1   47   19    1 o   3.3220   0.7644   3.6160   1.1360   3.0270   1.0230 0.5894000 1.529000 
1 1 1   47   19    2 o   2.2950   0.6517   1.6220   0.7996   2.9670   1.0290 -1.345000 1.303000 
1 1 1   47   19    3 o   4.3070   0.6831   3.7270   1.0810   4.8860   0.8354 -1.159000 1.366000 
1 1 1   47   19    4 o   3.5940   0.7016   2.5930   1.0640   4.5940   0.9143 -2.001000 1.403000 
1 1 1   47   19    5 o   2.8850   0.7965   3.9120   1.3220   1.8580   0.8895 2.054000 1.593000 
1 1 1   47   19    6 o   3.6100   0.7767   2.5410   1.1410   4.6790   1.0540 -2.138000 1.553000 
1 1 1   47   19    7 o   4.4780   0.7162   3.7430   1.1580   5.2130   0.8432 -1.469000 1.432000 
1 1 1   47   19    8 o   3.3140   0.8090   2.8400   1.1680   3.7880   1.1200 -0.9486000 1.618000 
1 1 1   47   19    9 o   2.2220   0.7163   1.9180   0.9256   2.5260   1.0930 -0.6080000 1.433000 
1 1 1   47   19   10 o   3.0300   0.7875   3.7050   1.1790   2.3540   1.0450 1.351000 1.575000 
1 1 1   47   19   11 f   1.9630   0.6550   1.7010   0.8352   2.2250   1.0090 -0.5241000 1.310000 
1 1 1   47   19   12 o   2.6020   1.1800   2.6020   1.1800  ?   ?       ?      ? 
1 1 1   47   21    0 o   2.6750   0.7419   3.4000   1.1880   1.9490   0.8887 1.452000 1.484000 
1 1 1   47   21    1 o   3.6940   0.7669   4.6310   1.1310   2.7570   1.0360 1.874000 1.534000 
1 1 1   47   21    2 o   2.9610   0.8060   2.5470   1.1380   3.3750   1.1420 -0.8282000 1.612000 
1 1 1   47   21    3 o   3.2390   0.7151   1.9810   0.9624   4.4970   1.0580 -2.516000 1.430000 
1 1 1   47   21    4 o   5.6250   0.6363   5.7270   0.9567   5.5230   0.8394 0.2039000 1.273000 
1 1 1   47   21    5 o   2.8530   0.7873   2.4640   1.0890   3.2410   1.1370 -0.7774000 1.575000 
1 1 1   47   21    6 o   2.9820   0.8077   2.5780   1.1210   3.3850   1.1640 -0.8075000 1.615000 
1 1 1   47   21    7 o   2.3960   0.7289   2.3500   1.0370   2.4410   1.0240 -0.9158000E-01 1.458000 
1 1 1   47   21    8 o   3.4240   0.7902   4.1360   1.1580   2.7120   1.0760 1.424000 1.580000 
1 1 1   47   23    0 o   1.7630   0.6053   1.8250   0.8859   1.7000   0.8250 0.1246000 1.211000 
1 1 1   47   23    1 o   2.5090   0.7358   2.6680   1.0870   2.3500   0.9924 0.3186000 1.472000 
1 1 1   47   23    2 o   3.0140   0.7799   2.8600   1.1160   3.1680   1.0900 -0.3085000 1.560000 
1 1 1   47   23    3 o   1.5820   0.5512   1.6560   0.8131   1.5090   0.7444 0.1470000 1.102000 
1 1 1   48    0    0 o   9.7690   0.3256   9.7690   0.3256   9.7690   0.3256 0.000000 0.000000 
1 1 1   48    0    1 o   13.290   0.5411   13.290   0.5411   13.290   0.5411 0.000000 0.000000 
1 1 1   48    0    2 o   2.5630   1.1600   2.5630   1.1600   2.5630   1.1600 0.000000 0.000000 
1 1 1   48    0    3 o   7.3440   0.4645   7.3440   0.4645   7.3440   0.4645 0.000000 0.000000 
1 1 1   48    0    4 o   4.7970   0.7843   4.7970   0.7843   4.7970   0.7843 0.000000 0.000000 
1 1 1   48    0    5 o   10.860   0.3699   10.860   0.3699   10.860   0.3699 0.000000 0.000000 
1 1 1   48    0    6 o   11.360   0.3641   11.360   0.3641   11.360   0.3641 0.000000 0.000000 
1 1 1   48    0    7 f   2.5490   1.2450   2.5490   1.2450   2.5490   1.2450 0.000000 0.000000 
1 1 1   48    0    8 o   2.6640   1.2630   2.6640   1.2630   2.6640   1.2630 0.000000 0.000000 
1 1 1   48    0    9 o   1.4510   0.9945   1.4510   0.9945   1.4510   0.9945 0.000000 0.000000 
1 1 1   48    0   10 o   2.4760   1.2770   2.4760   1.2770   2.4760   1.2770 0.000000 0.000000 
1 1 1   48    0   11 o   2.3400   1.2680   2.3400   1.2680   2.3400   1.2680 0.000000 0.000000 
1 1 1   48    0   12 o   2.1840   1.2520   2.1840   1.2520   2.1840   1.2520 0.000000 0.000000 
1 1 1   48    0   13 o   1.5320   1.1040   1.5320   1.1040   1.5320   1.1040 0.000000 0.000000 
1 1 1   48    0   14 o   1.6860   1.1010   1.6860   1.1010   1.6860   1.1010 0.000000 0.000000 
1 1 1   48    0   15 o   5.3270   0.9789   5.3270   0.9789   5.3270   0.9789 0.000000 0.000000 
1 1 1   48    0   16 o   4.1490   1.3090   4.1490   1.3090   4.1490   1.3090 0.000000 0.000000 
1 1 1   48    0   17 o   1.2800   0.9076   1.2800   0.9076   1.2800   0.9076 0.000000 0.000000 
1 1 1   48    0   18 o   1.1990   0.8595   1.1990   0.8595   1.1990   0.8595 0.000000 0.000000 
1 1 1   48    0   19 o   2.7990   1.4150   2.7990   1.4150   2.7990   1.4150 0.000000 0.000000 
1 1 1   48    0   20 o   0.9272   0.6858   0.9272   0.6858   0.9272   0.6858 0.000000 0.000000 
1 1 1   48    0   21 o   1.7610   1.1930   1.7610   1.1930   1.7610   1.1930 0.000000 0.000000 
1 1 1   48    2    0 o   12.370   0.2273   12.200   0.3211   12.530   0.3217 -0.3366000 0.4545000 
1 1 1   48    2    1 o   15.450   0.2941   15.770   0.4859   15.130   0.3315 0.6429000 0.5882000 
1 1 1   48    2    2 o   2.6070   0.6035   3.8650   1.0090   1.3500   0.6625 2.515000 1.207000 
1 1 1   48    2    3 o   2.7130   0.7032   2.6030   1.0400   2.8230   0.9467 -0.2200000 1.406000 
1 1 1   48    2    4 o   2.6040   0.6760   2.2730   0.9437   2.9350   0.9683 -0.6628000 1.352000 
1 1 1   48    2    5 o   7.7800   0.3509   7.6990   0.5102   7.8610   0.4819 -0.1616000 0.7018000 
1 1 1   48    2    6 o   2.7390   0.6875   3.3370   1.0180   2.1400   0.9245 1.197000 1.375000 
1 1 1   48    2    7 o   2.4150   0.6946   2.3810   0.9796   2.4500   0.9851 -0.6874000E-01 1.389000 
1 1 1   48    2    8 f   3.6890   0.7603   3.8470   1.1290   3.5300   1.0180 0.3176000 1.521000 
1 1 1   48    2    9 o   8.9180   0.3781   9.2350   0.4789   8.6000   0.5852 0.6346000 0.7561000 
1 1 1   48    2   10 o   3.5170   0.7555   3.7520   1.0630   3.2830   1.0740 0.4690000 1.511000 
1 1 1   48    2   11 f   3.3000   0.7710   2.9770   1.0910   3.6240   1.0900 -0.6465000 1.542000 
1 1 1   48    2   12 o   2.2750   0.6824   1.7060   0.8254   2.8430   1.0870 -1.138000 1.365000 
1 1 1   48    2   13 o   2.8590   0.7993   2.0880   0.9876   3.6290   1.2570 -1.541000 1.599000 
1 1 1   48    2   14 o   2.8510   0.8424   3.0250   1.2290   2.6770   1.1520 0.3474000 1.685000 
1 1 1   48    2   15 o   2.6010   0.7303   1.9530   0.9193   3.2500   1.1350 -1.297000 1.461000 
1 1 1   48    2   16 o   2.4430   0.7365   2.1210   0.9736   2.7650   1.1050 -0.6437000 1.473000 
1 1 1   48    2   17 o   3.0780   0.8059   2.7450   1.1160   3.4110   1.1620 -0.6657000 1.612000 
1 1 1   48    2   18 o   2.5660   0.7605   2.9110   1.1420   2.2200   1.0040 0.6913000 1.521000 
1 1 1   48    2   19 o   1.9700   0.6551   1.6120   0.8001   2.3280   1.0370 -0.7158000 1.310000 
1 1 1   48    2   20 o   2.5730   0.7965   2.6710   1.1710   2.4750   1.0800 0.1959000 1.593000 
1 1 1   48    2   21 o   2.9250   0.8537   2.6570   1.1350   3.1930   1.2760 -0.5359000 1.707000 
1 1 1   48    4    0 o   4.6690   0.5064   4.3360   0.8187   5.0010   0.5963 -0.6650000 1.013000 
1 1 1   48    4    1 o   16.210   0.3132   15.680   0.5361   16.730   0.3238 -1.049000 0.6263000 
1 1 1   48    4    2 o   12.370   0.2445   11.970   0.3923   12.760   0.2921 -0.7947000 0.4891000 
1 1 1   48    4    3 o   3.4460   0.6964   3.0460   1.0940   3.8460   0.8625 -0.7997000 1.393000 
1 1 1   48    4    4 o   2.7460   0.7259   2.7830   1.0810   2.7090   0.9696 0.7378000E-01 1.452000 
1 1 1   48    4    5 o   2.5280   0.6922   2.1150   0.9610   2.9410   0.9966 -0.8265000 1.384000 
1 1 1   48    4    6 o   2.9030   0.7656   3.0770   1.1450   2.7280   1.0160 0.3490000 1.531000 
1 1 1   48    4    7 o   4.4040   0.7718   4.2460   1.2750   4.5620   0.8705 -0.3165000 1.544000 
1 1 1   48    4    8 o   8.2070   0.4258   8.3190   0.6782   8.0950   0.5150 0.2240000 0.8516000 
1 1 1   48    4    9 o   3.3510   0.8190   4.0640   1.2070   2.6390   1.1070 1.425000 1.638000 
1 1 1   48    4   10 o   5.1980   0.5949   5.2720   0.8157   5.1240   0.8660 0.1487000 1.190000 
1 1 1   48    4   11 o   6.9640   0.4499   7.0670   0.6234   6.8600   0.6490 0.2070000 0.8999000 
1 1 1   48    4   12 o   5.2330   0.7663   4.6110   1.1920   5.8550   0.9637 -1.245000 1.533000 
1 1 1   48    4   13 o   4.4300   0.7347   4.1620   1.0690   4.6970   1.0090 -0.5346000 1.469000 
1 1 1   48    4   14 o   2.7790   0.8325   2.7790   1.1890   2.7800   1.1660 -0.4537000E-03 1.665000 
1 1 1   48    4   15 o   3.4390   0.7925   4.0900   1.1370   2.7880   1.1040 1.301000 1.585000 
1 1 1   48    4   16 o   2.3450   0.7207   1.9600   0.9268   2.7300   1.1040 -0.7696000 1.441000 
1 1 1   48    4   17 o   2.1950   0.6981   2.6510   1.1100   1.7390   0.8473 0.9123000 1.396000 
1 1 1   48    4   18 o   2.3720   0.7372   2.7710   1.1400   1.9720   0.9350 0.7989000 1.474000 
1 1 1   48    4   19 o   2.7520   0.8018   2.6870   1.1340   2.8170   1.1340 -0.1301000 1.604000 
1 1 1   48    4   20 o   2.1710   0.7113   1.9430   0.9495   2.3990   1.0590 -0.4561000 1.423000 
1 1 1   48    4   21 o   2.2610   0.7711   2.1920   1.0830   2.3300   1.0980 -0.1380000 1.542000 
1 1 1   48    6    0 o   12.830   0.2112   12.840   0.3443   12.820   0.2447 0.1400000E-01 0.4224000 
1 1 1   48    6    1 o   6.4500   0.4238   6.8140   0.5564   6.0860   0.6393 0.7274000 0.8475000 
1 1 1   48    6    2 o   7.3930   0.3110   7.7910   0.4126   6.9940   0.4654 0.7971000 0.6220000 
1 1 1   48    6    3 o   13.460   0.2126   13.500   0.2990   13.430   0.3024 0.6816000E-01 0.4253000 
1 1 1   48    6    4 o   7.7390   0.3309   7.7670   0.4680   7.7110   0.4680 0.5637000E-01 0.6619000 
1 1 1   48    6    5 o   11.420   0.2528   11.290   0.3619   11.550   0.3530 -0.2599000 0.5056000 
1 1 1   48    6    6 o   10.680   0.2891   10.870   0.4204   10.480   0.3969 0.3906000 0.5782000 
1 1 1   48    6    7 o   2.0800   0.6468   2.0020   0.8922   2.1570   0.9366 -0.1552000 1.294000 
1 1 1   48    6    8 o   3.5630   0.7178   3.0800   1.0490   4.0470   0.9803 -0.9671000 1.436000 
1 1 1   48    6    9 o   3.1720   0.8161   3.8950   1.2260   2.4490   1.0780 1.446000 1.632000 
1 1 1   48    6   10 f   3.5710   0.7705   3.7760   1.0730   3.3660   1.1060 0.4106000 1.541000 
1 1 1   48    6   11 o   2.9570   0.8032   2.9580   1.0950   2.9560   1.1750 0.2440000E-02 1.606000 
1 1 1   48    6   12 o   4.3030   0.7382   4.7350   0.9707   3.8710   1.1130 0.8642000 1.476000 
1 1 1   48    6   13 o   2.6430   0.8143   2.5140   1.1340   2.7720   1.1690 -0.2579000 1.629000 
1 1 1   48    6   14 o   2.1440   0.6883   2.2860   1.0150   2.0020   0.9298 0.2839000 1.377000 
1 1 1   48    6   15 o   3.8170   0.7737   3.7540   1.0460   3.8810   1.1400 -0.1272000 1.547000 
1 1 1   48    6   16 o   1.9620   0.6514   1.9510   0.9139   1.9720   0.9285 -0.2022000E-01 1.303000 
1 1 1   48    6   17 o   2.8590   0.8726   3.2820   1.3850   2.4370   1.0610 0.8444000 1.745000 
1 1 1   48    6   18 o   2.8260   0.8549   2.8990   1.2940   2.7530   1.1180 0.1460000 1.710000 
1 1 1   48    6   19 o   2.0100   0.6877   2.0100   0.9987   2.0110   0.9457 -0.8233000E-03 1.375000 
1 1 1   48    6   20 f   2.0650   0.7233   2.6620   1.2430   1.4680   0.7399 1.194000 1.447000 
1 1 1   48    8    0 o   3.0770   0.6942   3.1110   1.0200   3.0420   0.9417 0.6869000E-01 1.388000 
1 1 1   48    8    1 o   5.9310   0.3468   6.3120   0.4804   5.5510   0.5004 0.7608000 0.6937000 
1 1 1   48    8    2 o   10.870   0.2344   10.910   0.3327   10.830   0.3302 0.7809000E-01 0.4687000 
1 1 1   48    8    3 o   11.940   0.2282   11.870   0.3277   12.020   0.3176 -0.1510000 0.4563000 
1 1 1   48    8    4 o   5.4850   0.4762   5.4560   0.7012   5.5130   0.6446 -0.5729000E-01 0.9525000 
1 1 1   48    8    5 o   2.9520   0.6267   4.0050   0.9042   1.8980   0.8679 2.107000 1.253000 
1 1 1   48    8    6 o   5.7750   0.4702   6.1430   0.6028   5.4080   0.7218 0.7347000 0.9404000 
1 1 1   48    8    7 o   6.9470   0.4077   7.2070   0.5346   6.6860   0.6157 0.5209000 0.8154000 
1 1 1   48    8    8 o   2.7540   0.8014   3.2160   1.2210   2.2920   1.0390 0.9246000 1.603000 
1 1 1   48    8    9 o   2.8310   0.8002   2.9530   1.1910   2.7080   1.0700 0.2447000 1.600000 
1 1 1   48    8   10 o   6.0070   0.6219   6.8200   0.6589   5.1940   1.0550 1.626000 1.244000 
1 1 1   48    8   11 o   3.4020   0.7880   3.5580   1.1140   3.2450   1.1150 0.3133000 1.576000 
1 1 1   48    8   12 o   2.9350   0.7828   2.6840   1.0850   3.1860   1.1290 -0.5024000 1.566000 
1 1 1   48    8   13 o   3.4950   0.9113   3.4360   1.3130   3.5540   1.2640 -0.1179000 1.823000 
1 1 1   48    8   14 o   2.8250   0.7916   2.4990   1.1000   3.1520   1.1380 -0.6533000 1.583000 
1 1 1   48    8   15 o   2.6360   0.7784   3.1200   1.2070   2.1520   0.9835 0.9676000 1.557000 
1 1 1   48    8   16 o   2.7440   0.8071   2.8010   1.1760   2.6870   1.1060 0.1136000 1.614000 
1 1 1   48    8   17 o   2.3250   0.7447   2.4640   1.1070   2.1850   0.9966 0.2791000 1.489000 
1 1 1   48    8   18 o   1.8320   0.6327   2.1050   0.9997   1.5580   0.7759 0.5468000 1.265000 
1 1 1   48    8   19 o   2.3120   0.7309   2.6300   1.1170   1.9930   0.9424 0.6369000 1.462000 
1 1 1   48    8   20 o   3.0680   1.4470   3.0680   1.4470  ?   ?       ?      ? 
1 1 1   48   10    0 o   5.7870   0.3690   6.1020   0.5116   5.4730   0.5319 0.6294000 0.7380000 
1 1 1   48   10    1 o   8.3450   0.3075   8.2250   0.4556   8.4650   0.4132 -0.2401000 0.6151000 
1 1 1   48   10    2 o   14.220   0.2239   14.450   0.3298   13.990   0.3029 0.4561000 0.4478000 
1 1 1   48   10    3 o   4.4690   0.5675   5.4740   0.6499   3.4630   0.9306 2.011000 1.135000 
1 1 1   48   10    4 o   2.7530   0.6916   2.3320   0.9525   3.1730   1.0030 -0.8410000 1.383000 
1 1 1   48   10    5 o   4.9880   0.5399   4.9970   0.7512   4.9790   0.7756 0.1776000E-01 1.080000 
1 1 1   48   10    6 o   6.8750   0.4101   6.2020   0.6200   7.5480   0.5371 -1.346000 0.8203000 
1 1 1   48   10    7 o   2.8910   0.7863   2.7530   1.0390   3.0280   1.1810 -0.2747000 1.573000 
1 1 1   48   10    8 o   2.9160   0.8544   3.1700   1.2000   2.6620   1.2170 0.5080000 1.709000 
1 1 1   48   10    9 o   8.0740   0.4246   7.9640   0.5565   8.1830   0.6416 -0.2188000 0.8493000 
1 1 1   48   10   10 o   3.9960   0.7305   3.3500   1.1010   4.6420   0.9600 -1.293000 1.461000 
1 1 1   48   10   11 o   3.0420   0.7765   3.7030   1.1690   2.3810   1.0230 1.322000 1.553000 
1 1 1   48   10   12 o   4.2020   0.9464   4.1380   1.4260   4.2650   1.2440 -0.1263000 1.893000 
1 1 1   48   10   13 o   2.5490   0.7415   1.9920   0.9491   3.1060   1.1400 -1.114000 1.483000 
1 1 1   48   10   14 o   1.9770   0.6651   2.3410   1.0660   1.6130   0.7961 0.7285000 1.330000 
1 1 1   48   10   15 o   3.9730   0.8157   4.1760   1.1570   3.7710   1.1500 0.4051000 1.631000 
1 1 1   48   10   16 o   2.1460   0.6895   1.6720   0.8263   2.6210   1.1040 -0.9490000 1.379000 
1 1 1   48   10   17 f   2.7030   0.8126   2.8240   1.1980   2.5830   1.0980 0.2406000 1.625000 
1 1 1   48   10   18 o   2.1190   0.6994   2.2370   1.0330   2.0000   0.9431 0.2374000 1.399000 
1 1 1   48   10   19 o   1.8150   0.6343   1.7830   0.8819   1.8460   0.9119 -0.6321000E-01 1.269000 
1 1 1   48   12    0 f   6.3810   0.3580   6.2410   0.5518   6.5220   0.4564 -0.2810000 0.7161000 
1 1 1   48   12    1 o   5.2760   0.4460   5.1970   0.6802   5.3560   0.5770 -0.1588000 0.8920000 
1 1 1   48   12    2 o   6.4350   0.3872   6.7310   0.5531   6.1390   0.5421 0.5925000 0.7745000 
1 1 1   48   12    3 o   10.510   0.2631   10.150   0.3925   10.870   0.3506 -0.7177000 0.5262000 
1 1 1   48   12    4 o   3.8070   0.6809   3.7390   0.9621   3.8750   0.9639 -0.1360000 1.362000 
1 1 1   48   12    5 o   1.9690   0.6123   1.4440   0.7137   2.4930   0.9952 -1.049000 1.225000 
1 1 1   48   12    6 o   7.4900   0.6054   7.8450   0.6925   7.1350   0.9932 0.7096000 1.211000 
1 1 1   48   12    7 o   5.9400   0.6228   6.2630   0.8683   5.6170   0.8932 0.6458000 1.246000 
1 1 1   48   12    8 o   3.7490   0.7526   3.5650   1.0820   3.9320   1.0460 -0.3673000 1.505000 
1 1 1   48   12    9 o   3.1260   0.7922   3.1100   1.1440   3.1420   1.0960 -0.3214000E-01 1.584000 
1 1 1   48   12   10 o   2.5080   0.7433   2.2890   1.0240   2.7280   1.0770 -0.4383000 1.487000 
1 1 1   48   12   11 o   4.0400   0.9355   4.8200   1.4010   3.2600   1.2400 1.560000 1.871000 
1 1 1   48   12   12 o   3.0170   0.8211   3.1450   1.1980   2.8900   1.1230 0.2555000 1.642000 
1 1 1   48   12   13 o   2.7450   0.7830   2.7230   1.1040   2.7680   1.1110 -0.4437000E-01 1.566000 
1 1 1   48   12   14 o   1.9150   0.6423   1.7220   0.8396   2.1080   0.9723 -0.3852000 1.285000 
1 1 1   48   12   15 o   2.0350   0.6719   1.9390   0.9189   2.1320   0.9806 -0.1925000 1.344000 
1 1 1   48   12   16 o   2.5340   0.7783   2.6480   1.1430   2.4200   1.0570 0.2278000 1.557000 
1 1 1   48   12   17 o   2.6610   0.7369   1.8230   0.8814   3.4980   1.1810 -1.675000 1.474000 
1 1 1   48   12   18 o   2.5330   1.1700   2.5330   1.1700  ?   ?       ?      ? 
1 1 1   48   14    0 o   4.1890   0.5757   3.8920   0.9079   4.4850   0.7081 -0.5936000 1.151000 
1 1 1   48   14    1 o   8.2790   0.3066   8.4730   0.4503   8.0860   0.4163 0.3871000 0.6132000 
1 1 1   48   14    2 o   11.110   0.2537   11.230   0.3705   10.980   0.3469 0.2491000 0.5075000 
1 1 1   48   14    3 o   3.0070   0.7208   2.7770   1.0220   3.2370   1.0170 -0.4601000 1.442000 
1 1 1   48   14    4 o   8.1550   0.4245   7.4260   0.5470   8.8830   0.6493 -1.457000 0.8490000 
1 1 1   48   14    5 o   4.9460   0.7174   6.3050   0.8523   3.5870   1.1540 2.718000 1.435000 
1 1 1   48   14    6 o   3.9740   0.7009   2.9790   1.0860   4.9690   0.8863 -1.990000 1.402000 
1 1 1   48   14    7 o   4.9060   0.6752   5.0460   0.9785   4.7660   0.9307 0.2795000 1.350000 
1 1 1   48   14    8 o   2.6730   0.7612   3.0990   1.1560   2.2480   0.9902 0.8509000 1.522000 
1 1 1   48   14    9 o   4.1740   0.7291   3.0390   1.1570   5.3090   0.8877 -2.270000 1.458000 
1 1 1   48   14   10 o   2.8510   0.8537   2.6300   1.2040   3.0730   1.2110 -0.4430000 1.707000 
1 1 1   48   14   11 o   3.9030   0.7698   4.6240   1.0550   3.1830   1.1210 1.441000 1.540000 
1 1 1   48   14   12 o   2.2070   0.6996   2.0580   0.9557   2.3560   1.0220 -0.2983000 1.399000 
1 1 1   48   14   13 o   2.8820   0.7767   2.4110   1.0510   3.3540   1.1440 -0.9431000 1.553000 
1 1 1   48   14   14 o   3.2830   0.8103   4.1720   1.2320   2.3940   1.0520 1.778000 1.621000 
1 1 1   48   14   15 o   2.2970   0.7343   2.2250   1.0270   2.3690   1.0500 -0.1432000 1.469000 
1 1 1   48   14   16 o   2.0430   0.6743   1.8920   0.9056   2.1930   0.9993 -0.3015000 1.349000 
1 1 1   48   16    0 o   5.4850   0.4745   5.0730   0.7495   5.8960   0.5822 -0.8232000 0.9490000 
1 1 1   48   16    1 o   9.2500   0.2998   9.1060   0.4432   9.3950   0.4038 -0.2890000 0.5995000 
1 1 1   48   16    2 o   7.5750   0.4592   7.7480   0.6750   7.4020   0.6228 0.3463000 0.9184000 
1 1 1   48   16    3 o   4.3770   0.7709   4.1100   1.1580   4.6440   1.0180 -0.5341000 1.542000 
1 1 1   48   16    4 o   2.3060   0.6888   2.3010   0.9856   2.3110   0.9624 -0.1066000E-01 1.378000 
1 1 1   48   16    5 o   2.6170   0.7389   2.6200   1.0520   2.6140   1.0380 0.6024000E-02 1.478000 
1 1 1   48   16    6 o   8.1250   0.4175   8.7360   0.6012   7.5130   0.5796 1.224000 0.8351000 
1 1 1   48   16    7 o   4.3240   0.7299   3.4970   1.1930   5.1520   0.8411 -1.656000 1.460000 
1 1 1   48   16    8 o   2.6930   0.8412   3.2450   1.3500   2.1420   1.0040 1.103000 1.682000 
1 1 1   48   16    9 o   2.9230   0.8528   2.8220   1.2110   3.0240   1.2010 -0.2026000 1.706000 
1 1 1   48   16   10 o   2.5240   0.7559   2.4530   1.0590   2.5940   1.0790 -0.1408000 1.512000 
1 1 1   48   16   11 o   2.4980   0.7459   2.9530   1.1490   2.0430   0.9512 0.9094000 1.492000 
1 1 1   48   16   12 o   2.3650   0.7447   2.4930   1.1030   2.2360   1.0010 0.2573000 1.489000 
1 1 1   48   16   13 o   2.9460   0.8041   2.4640   1.1020   3.4270   1.1710 -0.9623000 1.608000 
1 1 1   48   16   14 o   2.2230   0.7127   2.4480   1.0710   1.9990   0.9409 0.4487000 1.425000 
1 1 1   48   18    0 o   3.9740   0.7471   3.0750   1.1630   4.8720   0.9381 -1.798000 1.494000 
1 1 1   48   18    1 o   7.0110   0.4148   6.5790   0.6523   7.4430   0.5127 -0.8641000 0.8296000 
1 1 1   48   18    2 o   3.3850   0.6943   4.3510   0.9888   2.4190   0.9750 1.932000 1.389000 
1 1 1   48   18    3 o   3.3060   0.6805   2.3350   1.0040   4.2780   0.9183 -1.943000 1.361000 
1 1 1   48   18    4 o   3.5780   0.7727   4.1750   1.1290   2.9810   1.0560 1.194000 1.545000 
1 1 1   48   18    5 f   2.6530   0.7594   2.7460   1.1240   2.5590   1.0220 0.1877000 1.519000 
1 1 1   48   18    6 o   2.3390   0.7755   3.0150   1.3180   1.6630   0.8174 1.352000 1.551000 
1 1 1   48   18    7 o   3.0520   0.8532   3.4230   1.2930   2.6810   1.1130 0.7418000 1.706000 
1 1 1   48   18    8 o   2.2400   0.6998   2.0250   0.9447   2.4560   1.0330 -0.4311000 1.400000 
1 1 1   48   18    9 o   2.0280   0.6699   1.9780   0.9316   2.0780   0.9630 -0.1005000 1.340000 
1 1 1   48   18   10 o   2.8240   0.7990   2.5320   1.1120   3.1150   1.1480 -0.5830000 1.598000 
1 1 1   48   18   11 o   2.3680   0.7340   2.5230   1.0740   2.2130   1.0000 0.3098000 1.468000 
1 1 1   48   18   12 o   1.5820   0.5554   1.4570   0.7333   1.7060   0.8344 -0.2490000 1.111000 
1 1 1   48   20    0 o   2.5870   0.6718   3.5270   1.0880   1.6460   0.7885 1.881000 1.344000 
1 1 1   48   20    1 o   4.3970   0.6582   5.4060   0.8290   3.3880   1.0230 2.018000 1.316000 
1 1 1   48   20    2 o   2.6600   0.6404   1.5960   0.7863   3.7230   1.0110 -2.127000 1.281000 
1 1 1   48   20    3 o   2.5000   0.7925   2.4480   1.1640   2.5510   1.0760 -0.1023000 1.585000 
1 1 1   48   20    4 o   2.7830   0.8551   2.9470   1.3210   2.6190   1.0870 0.3287000 1.710000 
1 1 1   48   20    5 o   2.7800   0.7805   2.7390   1.1440   2.8220   1.0620 -0.8327000E-01 1.561000 
1 1 1   48   20    6 o   2.9380   0.8210   2.8500   1.1770   3.0260   1.1450 -0.1756000 1.642000 
1 1 1   48   20    7 o   2.1840   0.7124   2.1340   1.0050   2.2330   1.0100 -0.9902000E-01 1.425000 
1 1 1   48   20    8 o   1.9410   0.6350   1.5200   0.7594   2.3620   1.0180 -0.8415000 1.270000 
1 1 1   48   20    9 o   2.4750   0.7503   2.6480   1.1050   2.3010   1.0160 0.3475000 1.501000 
1 1 1   48   22    0 o   2.5950   0.8176   2.7410   1.2540   2.4480   1.0500 0.2934000 1.635000 
1 1 1   48   22    1 o   2.2160   0.7413   2.1070   1.0370   2.3250   1.0590 -0.2181000 1.483000 
1 1 1   48   22    2 o   2.2320   0.7057   2.0170   0.9563   2.4470   1.0380 -0.4298000 1.411000 
1 1 1   48   22    3 o   2.6520   0.7485   2.0640   0.9711   3.2390   1.1390 -1.175000 1.497000 
1 1 1   48   22    4 o   2.5320   0.7218   2.0750   0.9603   2.9890   1.0780 -0.9140000 1.444000 
1 1 1   48   22    5 o   1.7460   0.5941   1.6900   0.8247   1.8030   0.8554 -0.1134000 1.188000 
1 1 1   49    1    0 o   7.7740   0.3471   8.1670   0.4691   7.3820   0.5118 0.7849000 0.6942000 
1 1 1   49    1    1 o   9.3040   0.3179   9.6780   0.4279   8.9300   0.4702 0.7483000 0.6358000 
1 1 1   49    1    2 o   6.1430   0.3801   6.4320   0.5209   5.8530   0.5536 0.5791000 0.7602000 
1 1 1   49    1    3 o   5.2280   0.4772   5.6850   0.6385   4.7710   0.7094 0.9139000 0.9544000 
1 1 1   49    1    4 o   2.3290   0.6516   1.9080   0.8627   2.7490   0.9767 -0.8412000 1.303000 
1 1 1   49    1    5 o   5.5900   0.4848   5.0810   0.7513   6.0990   0.6129 -1.018000 0.9695000 
1 1 1   49    1    6 o   3.9760   0.6515   3.2790   1.0140   4.6730   0.8187 -1.394000 1.303000 
1 1 1   49    1    7 o   5.4170   0.5190   5.7420   0.6885   5.0920   0.7768 0.6494000 1.038000 
1 1 1   49    1    8 o   4.0890   0.7216   4.5310   1.0270   3.6470   1.0140 0.8839000 1.443000 
1 1 1   49    1    9 o   2.9360   0.7822   2.6140   1.0450   3.2580   1.1640 -0.6440000 1.564000 
1 1 1   49    1   10 o   3.7080   0.7495   3.7470   1.0650   3.6690   1.0550 0.7850000E-01 1.499000 
1 1 1   49    1   11 o   4.4570   0.6881   5.0020   0.8890   3.9110   1.0510 1.091000 1.376000 
1 1 1   49    1   12 o   2.2670   0.6854   1.7300   0.8347   2.8040   1.0870 -1.074000 1.371000 
1 1 1   49    1   13 o   2.8760   0.9103   3.5650   1.4690   2.1870   1.0760 1.379000 1.821000 
1 1 1   49    1   14 o   3.1260   0.7951   2.7790   1.1050   3.4740   1.1440 -0.6954000 1.590000 
1 1 1   49    1   15 o   2.6790   0.7691   2.9660   1.1330   2.3910   1.0410 0.5747000 1.538000 
1 1 1   49    1   16 o   2.6060   0.7575   3.0700   1.1550   2.1430   0.9809 0.9266000 1.515000 
1 1 1   49    1   17 o   2.1380   0.6962   2.0790   0.9683   2.1980   1.0010 -0.1185000 1.392000 
1 1 1   49    1   18 o   1.8490   0.6290   1.7560   0.8536   1.9420   0.9240 -0.1860000 1.258000 
1 1 1   49    1   19 o   2.0390   0.6732   2.3240   1.0380   1.7540   0.8569 0.5701000 1.346000 
1 1 1   49    1   20 o   2.1270   0.7088   2.5300   1.1380   1.7240   0.8455 0.8067000 1.418000 
1 1 1   49    3    0 o   10.440   0.2323   10.630   0.3469   10.240   0.3091 0.3923000 0.4646000 
1 1 1   49    3    1 o   11.470   0.3543   12.300   0.5835   10.630   0.4019 1.664000 0.7085000 
1 1 1   49    3    2 o   7.9860   0.3241   8.0960   0.4980   7.8750   0.4149 0.2211000 0.6482000 
1 1 1   49    3    3 o   13.790   0.2381   13.730   0.3757   13.850   0.2925 -0.1133000 0.4761000 
1 1 1   49    3    4 o   4.5220   0.6370   4.2820   1.0370   4.7630   0.7401 -0.4815000 1.274000 
1 1 1   49    3    5 o   2.0820   0.6622   2.1830   0.9894   1.9810   0.8805 0.2015000 1.324000 
1 1 1   49    3    6 o   5.7890   0.5943   5.0410   1.0280   6.5370   0.5964 -1.496000 1.189000 
1 1 1   49    3    7 o   2.2270   0.6696   2.5170   1.0090   1.9370   0.8810 0.5800000 1.339000 
1 1 1   49    3    8 o   2.4510   0.7238   2.4770   1.0510   2.4250   0.9951 0.5192000E-01 1.448000 
1 1 1   49    3    9 o   6.2830   0.5351   6.3950   0.6667   6.1710   0.8372 0.2236000 1.070000 
1 1 1   49    3   10 o   5.5100   0.5675   6.0030   0.7207   5.0170   0.8769 0.9856000 1.135000 
1 1 1   49    3   11 o   2.1660   0.6779   2.4660   1.0330   1.8660   0.8776 0.6003000 1.356000 
1 1 1   49    3   12 o   3.4050   0.8104   2.4490   1.0910   4.3610   1.1990 -1.912000 1.621000 
1 1 1   49    3   13 o   3.2530   0.9794   2.7420   1.2880   3.7630   1.4750 -1.021000 1.959000 
1 1 1   49    3   14 o   4.0490   0.7853   4.5090   1.0800   3.5880   1.1400 0.9204000 1.571000 
1 1 1   49    3   15 o   2.1410   0.6911   2.2270   1.0050   2.0550   0.9490 0.1719000 1.382000 
1 1 1   49    3   16 o   2.4250   0.7429   2.6200   1.1000   2.2300   0.9986 0.3903000 1.486000 
1 1 1   49    3   17 o   2.4710   0.7454   2.0860   0.9739   2.8550   1.1290 -0.7690000 1.491000 
1 1 1   49    3   18 o   2.5120   0.7597   2.8010   1.1380   2.2220   1.0070 0.5793000 1.519000 
1 1 1   49    3   19 o   1.9390   0.6547   1.9130   0.9187   1.9650   0.9328 -0.5252000E-01 1.309000 
1 1 1   49    3   20 o   1.9500   0.6625   1.7950   0.8898   2.1060   0.9819 -0.3109000 1.325000 
1 1 1   49    5    0 o   12.000   0.2225   11.490   0.3506   12.510   0.2741 -1.020000 0.4451000 
1 1 1   49    5    1 o   14.960   0.3284   14.710   0.5661   15.220   0.3329 -0.5119000 0.6567000 
1 1 1   49    5    2 o   9.8760   0.2874   10.350   0.4488   9.4010   0.3592 0.9491000 0.5749000 
1 1 1   49    5    3 o   3.3410   0.6753   4.4540   0.9966   2.2280   0.9116 2.225000 1.351000 
1 1 1   49    5    4 o   5.4150   0.5358   5.2730   0.8725   5.5580   0.6221 -0.2854000 1.072000 
1 1 1   49    5    5 o   5.2380   0.5967   4.5790   1.0280   5.8970   0.6064 -1.318000 1.193000 
1 1 1   49    5    6 o   2.4100   0.7403   2.8990   1.1960   1.9210   0.8727 0.9785000 1.481000 
1 1 1   49    5    7 o   10.410   0.3885   9.9370   0.6685   10.890   0.3958 -0.9480000 0.7769000 
1 1 1   49    5    8 o   5.4620   0.6243   5.7090   0.9580   5.2150   0.8009 0.4944000 1.249000 
1 1 1   49    5    9 o   4.0940   0.8308   4.6520   1.1550   3.5360   1.1950 1.116000 1.662000 
1 1 1   49    5   10 o   3.5840   0.8178   3.2660   1.2280   3.9010   1.0800 -0.6351000 1.636000 
1 1 1   49    5   11 o   4.1140   0.7286   2.8780   1.1770   5.3500   0.8598 -2.472000 1.457000 
1 1 1   49    5   12 o   3.9610   0.8732   3.7600   1.2450   4.1630   1.2250 -0.4029000 1.746000 
1 1 1   49    5   13 o   3.6830   0.8591   2.8810   1.2110   4.4850   1.2190 -1.605000 1.718000 
1 1 1   49    5   14 o   2.5720   0.7483   2.2300   0.9988   2.9140   1.1150 -0.6841000 1.497000 
1 1 1   49    5   15 o   3.8580   0.7868   4.4940   1.0720   3.2210   1.1520 1.274000 1.574000 
1 1 1   49    5   16 o   3.0270   0.8126   3.0470   1.1550   3.0070   1.1430 0.3999000E-01 1.625000 
1 1 1   49    5   17 o   3.2200   0.7283   1.9940   0.9441   4.4460   1.1090 -2.451000 1.457000 
1 1 1   49    5   18 o   2.8890   0.8125   3.0260   1.1750   2.7530   1.1230 0.2734000 1.625000 
1 1 1   49    5   19 o   2.4530   0.7668   2.3120   1.0710   2.5930   1.0970 -0.2806000 1.534000 
1 1 1   49    5   20 o   2.0730   0.6903   2.2590   1.0410   1.8870   0.9075 0.3721000 1.381000 
1 1 1   49    7    0 o   4.5630   0.4790   5.1840   0.5330   3.9430   0.7961 1.241000 0.9581000 
1 1 1   49    7    1 o   2.8960   0.6890   2.2810   0.9552   3.5110   0.9933 -1.229000 1.378000 
1 1 1   49    7    2 o   12.240   0.2114   12.310   0.2977   12.180   0.3001 0.1298000 0.4227000 
1 1 1   49    7    3 o   6.8040   0.3487   6.4870   0.5084   7.1220   0.4774 -0.6349000 0.6973000 
1 1 1   49    7    4 f   4.1810   0.5943   3.9430   0.8737   4.4190   0.8058 -0.4757000 1.189000 
1 1 1   49    7    5 o   3.2790   0.6992   2.8250   1.0310   3.7330   0.9447 -0.9080000 1.398000 
1 1 1   49    7    6 o   5.0350   0.5457   4.8570   0.7875   5.2140   0.7556 -0.3566000 1.091000 
1 1 1   49    7    7 o   4.8480   0.5915   5.0120   0.7955   4.6840   0.8756 0.3282000 1.183000 
1 1 1   49    7    8 o   4.1430   0.7644   3.6790   1.0510   4.6070   1.1100 -0.9274000 1.529000 
1 1 1   49    7    9 o   4.3060   0.8271   4.9770   1.1070   3.6360   1.2290 1.341000 1.654000 
1 1 1   49    7   10 o   2.7260   0.7501   1.9270   0.8966   3.5250   1.2030 -1.597000 1.500000 
1 1 1   49    7   11 o   3.3230   0.7456   2.1330   0.9581   4.5140   1.1430 -2.380000 1.491000 
1 1 1   49    7   12 o   3.2180   0.7885   3.7080   1.1360   2.7290   1.0940 0.9788000 1.577000 
1 1 1   49    7   13 o   3.1410   0.8556   3.8710   1.3180   2.4110   1.0910 1.459000 1.711000 
1 1 1   49    7   14 o   3.0400   0.8060   3.1090   1.1540   2.9700   1.1250 0.1393000 1.612000 
1 1 1   49    7   15 o   2.5550   0.7678   2.5860   1.0960   2.5240   1.0750 0.6173000E-01 1.536000 
1 1 1   49    7   16 o   2.5620   0.7686   2.6190   1.1030   2.5040   1.0700 0.1145000 1.537000 
1 1 1   49    7   17 o   2.5480   0.7543   2.3720   1.0190   2.7250   1.1130 -0.3525000 1.509000 
1 1 1   49    7   18 o   1.8230   0.6174   1.8720   0.8856   1.7730   0.8606 0.9949000E-01 1.235000 
1 1 1   49    7   19 o   2.1780   0.6888   1.5310   0.7684   2.8250   1.1430 -1.293000 1.378000 
1 1 1   49    9    0 o   7.6760   0.3210   7.4080   0.5268   7.9440   0.3670 -0.5363000 0.6421000 
1 1 1   49    9    1 o   3.9490   0.5397   5.2400   0.5933   2.6580   0.9018 2.582000 1.079000 
1 1 1   49    9    2 o   2.4300   0.6703   2.5430   0.9778   2.3170   0.9171 0.2265000 1.341000 
1 1 1   49    9    3 o   9.2690   0.2941   9.0400   0.4456   9.4990   0.3839 -0.4591000 0.5882000 
1 1 1   49    9    4 o   2.7720   0.6774   3.1910   0.9760   2.3530   0.9397 0.8376000 1.355000 
1 1 1   49    9    5 o   7.7560   0.3546   8.3850   0.4545   7.1280   0.5443 1.257000 0.7091000 
1 1 1   49    9    6 o   5.9320   0.4651   5.2830   0.7165   6.5820   0.5931 -1.299000 0.9302000 
1 1 1   49    9    7 o   3.2080   0.6862   2.3750   0.9763   4.0420   0.9646 -1.666000 1.372000 
1 1 1   49    9    8 o   4.1500   0.8345   4.3710   1.1500   3.9290   1.2100 0.4421000 1.669000 
1 1 1   49    9    9 o   2.7290   0.7696   2.6130   1.0360   2.8450   1.1380 -0.2319000 1.539000 
1 1 1   49    9   10 o   6.5280   0.4939   5.8310   0.7596   7.2260   0.6315 -1.394000 0.9878000 
1 1 1   49    9   11 o   4.6580   0.7053   4.9690   0.9442   4.3470   1.0480 0.6218000 1.411000 
1 1 1   49    9   12 o   3.7920   0.8942   4.1510   1.2820   3.4340   1.2470 0.7173000 1.788000 
1 1 1   49    9   13 o   3.2670   0.8615   3.6180   1.3000   2.9160   1.1310 0.7020000 1.723000 
1 1 1   49    9   14 o   2.6680   0.7306   1.8280   0.8826   3.5070   1.1650 -1.678000 1.461000 
1 1 1   49    9   15 o   2.6340   0.7602   3.2880   1.1980   1.9800   0.9357 1.308000 1.520000 
1 1 1   49    9   16 o   2.6270   0.7835   2.8870   1.1680   2.3670   1.0450 0.5193000 1.567000 
1 1 1   49    9   17 o   2.3790   0.7551   2.7070   1.1660   2.0520   0.9596 0.6549000 1.510000 
1 1 1   49    9   18 o   2.4650   0.7768   2.5230   1.1340   2.4070   1.0620 0.1164000 1.554000 
1 1 1   49    9   19 o   1.9640   0.9928   1.9640   0.9928  ?   ?       ?      ? 
1 1 1   49   11    0 f   2.5890   0.6476   2.1620   0.9085   3.0150   0.9232 -0.8531000 1.295000 
1 1 1   49   11    1 o   4.9140   0.4728   5.3130   0.6406   4.5160   0.6956 0.7971000 0.9456000 
1 1 1   49   11    2 o   2.0940   0.6197   1.8520   0.8395   2.3360   0.9117 -0.4840000 1.239000 
1 1 1   49   11    3 o   3.0060   0.6810   2.8520   0.9981   3.1600   0.9266 -0.3077000 1.362000 
1 1 1   49   11    4 o   3.3840   0.7020   3.7210   0.9631   3.0470   1.0220 0.6739000 1.404000 
1 1 1   49   11    5 o   5.0420   0.5415   4.7500   0.7989   5.3350   0.7313 -0.5851000 1.083000 
1 1 1   49   11    6 o   2.0080   0.6371   2.1920   0.9484   1.8250   0.8508 0.3666000 1.274000 
1 1 1   49   11    7 o   6.0270   0.7555   5.6960   0.9503   6.3590   1.1750 -0.6634000 1.511000 
1 1 1   49   11    8 o   4.4250   0.6508   2.7360   1.0740   6.1130   0.7353 -3.377000 1.302000 
1 1 1   49   11    9 o   2.9840   0.7480   3.5040   1.0850   2.4630   1.0300 1.041000 1.496000 
1 1 1   49   11   10 o   2.8230   0.7322   2.1420   0.9591   3.5050   1.1070 -1.363000 1.464000 
1 1 1   49   11   11 o   2.9380   0.7813   2.6790   1.0790   3.1980   1.1300 -0.5197000 1.563000 
1 1 1   49   11   12 o   3.5550   0.8819   4.2330   1.3020   2.8780   1.1900 1.355000 1.764000 
1 1 1   49   11   13 o   2.6060   0.7591   2.9230   1.1260   2.2890   1.0190 0.6336000 1.518000 
1 1 1   49   11   14 o   2.0720   0.6862   2.0600   0.9740   2.0850   0.9669 -0.2530000E-01 1.372000 
1 1 1   49   11   15 o   2.4700   0.7602   2.2820   1.0450   2.6580   1.1040 -0.3763000 1.520000 
1 1 1   49   11   16 o   2.2860   0.7291   2.1030   0.9915   2.4700   1.0690 -0.3670000 1.458000 
1 1 1   49   11   17 f   1.8670   0.6413   1.9600   0.9488   1.7740   0.8631 0.1863000 1.283000 
1 1 1   49   11   18 o   3.0380   1.3010   3.0380   1.3010  ?   ?       ?      ? 
1 1 1   49   13    0 o   1.9970   0.6064   2.0040   0.8705   1.9900   0.8444 0.1348000E-01 1.213000 
1 1 1   49   13    1 o   6.3690   0.3745   6.6490   0.5426   6.0890   0.5163 0.5608000 0.7490000 
1 1 1   49   13    2 o   9.9070   0.3356   9.1290   0.5767   10.690   0.3436 -1.556000 0.6713000 
1 1 1   49   13    3 o   3.5340   0.6726   4.1320   0.9035   2.9360   0.9966 1.197000 1.345000 
1 1 1   49   13    4 o   4.1890   0.6438   4.2950   0.8992   4.0840   0.9215 0.2103000 1.288000 
1 1 1   49   13    5 o   3.8670   0.8911   3.1420   1.1760   4.5920   1.3400 -1.450000 1.782000 
1 1 1   49   13    6 o   3.0710   0.8186   2.3740   1.0610   3.7670   1.2470 -1.393000 1.637000 
1 1 1   49   13    7 o   6.8800   0.4510   6.9280   0.6397   6.8320   0.6360 0.9614000E-01 0.9020000 
1 1 1   49   13    8 o   3.1650   0.7263   3.9880   1.0490   2.3420   1.0040 1.646000 1.453000 
1 1 1   49   13    9 o   3.0360   0.7605   3.6110   1.1170   2.4600   1.0320 1.151000 1.521000 
1 1 1   49   13   10 o   3.9750   0.7681   4.4340   1.0520   3.5150   1.1200 0.9190000 1.536000 
1 1 1   49   13   11 o   2.2910   0.7454   2.0470   0.9852   2.5350   1.1190 -0.4886000 1.491000 
1 1 1   49   13   12 o   2.7500   0.7985   2.7530   1.1510   2.7480   1.1070 0.5467000E-02 1.597000 
1 1 1   49   13   13 o   2.3460   0.7397   2.3230   1.0520   2.3690   1.0410 -0.4615000E-01 1.479000 
1 1 1   49   13   14 o   2.2720   0.7267   2.2660   1.0370   2.2770   1.0180 -0.1103000E-01 1.453000 
1 1 1   49   13   15 o   2.2010   0.7145   2.2500   1.0320   2.1520   0.9887 0.9785000E-01 1.429000 
1 1 1   49   13   16 o   2.3450   0.7376   2.2570   1.0220   2.4330   1.0640 -0.1760000 1.475000 
1 1 1   49   15    0 o   8.5920   0.3073   8.7990   0.4381   8.3840   0.4309 0.4156000 0.6145000 
1 1 1   49   15    1 o   9.6950   0.2958   9.1470   0.4391   10.240   0.3964 -1.096000 0.5915000 
1 1 1   49   15    2 o   6.1710   0.4264   5.8540   0.6433   6.4880   0.5598 -0.6346000 0.8528000 
1 1 1   49   15    3 o   3.9750   0.7183   3.5460   1.0090   4.4040   1.0220 -0.8576000 1.437000 
1 1 1   49   15    4 o   7.5700   0.5065   8.1400   0.6716   7.0000   0.7584 1.140000 1.013000 
1 1 1   49   15    5 o   4.0110   0.7155   3.7090   1.0690   4.3140   0.9507 -0.6048000 1.431000 
1 1 1   49   15    6 o   2.1230   0.6631   2.4850   1.0330   1.7620   0.8319 0.7231000 1.326000 
1 1 1   49   15    7 o   5.4430   0.5995   5.5990   0.8208   5.2860   0.8741 0.3138000 1.199000 
1 1 1   49   15    8 o   4.7550   0.6950   5.3940   0.8806   4.1170   1.0750 1.277000 1.390000 
1 1 1   49   15    9 o   5.3160   0.7912   6.7000   0.9650   3.9330   1.2540 2.767000 1.582000 
1 1 1   49   15   10 o   2.8910   0.8046   3.2930   1.2130   2.4890   1.0570 0.8038000 1.609000 
1 1 1   49   15   11 o   2.9510   0.7619   2.1560   1.0020   3.7470   1.1480 -1.591000 1.524000 
1 1 1   49   15   12 o   5.8010   0.7025   4.3650   1.2270   7.2370   0.6842 -2.871000 1.405000 
1 1 1   49   15   13 o   2.6510   0.7893   3.0680   1.2160   2.2350   1.0060 0.8327000 1.579000 
1 1 1   49   15   14 f   1.7330   0.5994   1.7760   0.8650   1.6910   0.8301 0.8418000E-01 1.199000 
1 1 1   49   15   15 o   1.8590   0.6514   2.0690   1.0030   1.6500   0.8313 0.4190000 1.303000 
1 1 1   49   17    0 o   3.8140   0.7214   3.4730   1.0120   4.1540   1.0280 -0.6811000 1.443000 
1 1 1   49   17    1 o   1.8970   0.6275   1.5290   0.7644   2.2660   0.9955 -0.7366000 1.255000 
1 1 1   49   17    2 o   2.7670   0.7681   3.1790   1.1900   2.3540   0.9712 0.8252000 1.536000 
1 1 1   49   17    3 o   4.5910   0.6364   4.8020   0.8949   4.3800   0.9050 0.4225000 1.273000 
1 1 1   49   17    4 o   3.3680   0.7514   3.5790   1.0840   3.1580   1.0410 0.4214000 1.503000 
1 1 1   49   17    5 o   5.5540   0.5406   5.9810   0.7463   5.1280   0.7824 0.8522000 1.081000 
1 1 1   49   17    6 o   2.4020   0.6752   3.2770   1.1200   1.5260   0.7540 1.751000 1.350000 
1 1 1   49   17    7 o   2.5900   0.7945   2.9700   1.2320   2.2100   1.0040 0.7604000 1.589000 
1 1 1   49   17    8 o   2.2620   0.7612   2.5570   1.1940   1.9680   0.9452 0.5891000 1.522000 
1 1 1   49   17    9 f   1.6930   0.5892   1.7730   0.8702   1.6130   0.7945 0.1599000 1.178000 
1 1 1   49   17   10 o   2.4050   0.7478   2.2390   1.0340   2.5710   1.0810 -0.3327000 1.496000 
1 1 1   49   17   11 o   3.0590   0.8225   3.0310   1.1930   3.0870   1.1320 -0.5608000E-01 1.645000 
1 1 1   49   17   12 o   3.9170   0.7632   4.9920   1.0370   2.8420   1.1200 2.149000 1.526000 
1 1 1   49   17   13 o   2.0320   0.7053   2.0480   0.9956   2.0160   0.9994 0.3212000E-01 1.411000 
1 1 1   49   19    0 o   2.1030   0.6549   2.0140   0.9177   2.1920   0.9344 -0.1785000 1.310000 
1 1 1   49   19    1 o   2.8400   0.6959   2.1750   0.9625   3.5040   1.0050 -1.328000 1.392000 
1 1 1   49   19    2 o   3.0410   0.6717   4.1910   1.0250   1.8920   0.8689 2.299000 1.343000 
1 1 1   49   19    3 o   2.6960   0.7389   3.0630   1.1020   2.3300   0.9848 0.7334000 1.478000 
1 1 1   49   19    4 o   3.3590   0.7701   3.1900   1.1150   3.5280   1.0630 -0.3378000 1.540000 
1 1 1   49   19    5 o   2.6070   0.7703   2.1490   1.0230   3.0650   1.1520 -0.9167000 1.541000 
1 1 1   49   19    6 o   1.9260   0.6375   1.8590   0.8882   1.9940   0.9146 -0.1351000 1.275000 
1 1 1   49   19    7 o   1.9320   0.6514   2.2890   1.0470   1.5750   0.7755 0.7146000 1.303000 
1 1 1   49   19    8 o   2.8120   0.7929   2.1930   1.0240   3.4300   1.2110 -1.238000 1.586000 
1 1 1   49   19    9 o   2.0390   0.6791   1.8100   0.8885   2.2690   1.0270 -0.4590000 1.358000 
1 1 1   49   19   10 o   2.4440   0.7516   2.5640   1.0920   2.3240   1.0330 0.2398000 1.503000 
1 1 1   49   21    0 o   1.7450   0.5863   1.5790   0.7793   1.9120   0.8762 -0.3328000 1.173000 
1 1 1   49   21    1 o   4.8140   0.6557   5.0840   0.9521   4.5440   0.9017 0.5394000 1.311000 
1 1 1   49   21    2 o   3.4000   0.8308   2.8870   1.2200   3.9130   1.1280 -1.026000 1.662000 
1 1 1   49   21    3 o   3.0990   0.7625   2.1220   1.0360   4.0770   1.1190 -1.955000 1.525000 
1 1 1   49   21    4 o   3.3130   0.7850   2.6470   1.1220   3.9780   1.0980 -1.332000 1.570000 
1 1 1   49   21    5 o   2.3090   0.7340   2.5520   1.1130   2.0660   0.9568 0.4864000 1.468000 
1 1 1   49   21    6 o   1.7740   0.6102   1.9960   0.9507   1.5520   0.7653 0.4432000 1.220000 
1 1 1   49   23    0 o   2.3540   0.7672   2.5280   1.1380   2.1800   1.0290 0.3479000 1.534000 
1 1 1   50    0    0 o   5.4690   1.1460   5.4690   1.1460   5.4690   1.1460 0.000000 0.000000 
1 1 1   50    0    1 f   13.320   0.3569   13.320   0.3569   13.320   0.3569 0.000000 0.000000 
1 1 1   50    0    2 o   12.610   0.3086   12.610   0.3086   12.610   0.3086 0.000000 0.000000 
1 1 1   50    0    3 o   1.6810   1.0290   1.6810   1.0290   1.6810   1.0290 0.000000 0.000000 
1 1 1   50    0    4 o   5.0970   0.7220   5.0970   0.7220   5.0970   0.7220 0.000000 0.000000 
1 1 1   50    0    5 o   1.5530   0.9992   1.5530   0.9992   1.5530   0.9992 0.000000 0.000000 
1 1 1   50    0    6 o   5.1800   0.7688   5.1800   0.7688   5.1800   0.7688 0.000000 0.000000 
1 1 1   50    0    7 o   2.0090   1.1600   2.0090   1.1600   2.0090   1.1600 0.000000 0.000000 
1 1 1   50    0    8 o   5.5160   0.8921   5.5160   0.8921   5.5160   0.8921 0.000000 0.000000 
1 1 1   50    0    9 o   2.1490   1.2250   2.1490   1.2250   2.1490   1.2250 0.000000 0.000000 
1 1 1   50    0   10 o   1.5340   1.0150   1.5340   1.0150   1.5340   1.0150 0.000000 0.000000 
1 1 1   50    0   11 o   11.330   0.4263   11.330   0.4263   11.330   0.4263 0.000000 0.000000 
1 1 1   50    0   12 o   2.4040   1.3070   2.4040   1.3070   2.4040   1.3070 0.000000 0.000000 
1 1 1   50    0   13 f   1.8570   1.2860   1.8570   1.2860   1.8570   1.2860 0.000000 0.000000 
1 1 1   50    0   14 o   1.3130   0.9224   1.3130   0.9224   1.3130   0.9224 0.000000 0.000000 
1 1 1   50    0   15 o   4.8810   1.1270   4.8810   1.1270   4.8810   1.1270 0.000000 0.000000 
1 1 1   50    0   16 o   2.7400   1.3950   2.7400   1.3950   2.7400   1.3950 0.000000 0.000000 
1 1 1   50    0   17 o   1.5990   1.0710   1.5990   1.0710   1.5990   1.0710 0.000000 0.000000 
1 1 1   50    0   18 o   2.5020   1.3740   2.5020   1.3740   2.5020   1.3740 0.000000 0.000000 
1 1 1   50    0   19 o   1.1450   0.8277   1.1450   0.8277   1.1450   0.8277 0.000000 0.000000 
1 1 1   50    0   20 o   1.3500   0.9670   1.3500   0.9670   1.3500   0.9670 0.000000 0.000000 
1 1 1   50    2    0 o   3.3710   0.6230   3.7050   0.8693   3.0360   0.8927 0.6693000 1.246000 
1 1 1   50    2    1 f   11.340   0.3583   10.780   0.6122   11.900   0.3723 -1.120000 0.7165000 
1 1 1   50    2    2 o   4.9950   0.5386   4.4390   0.9107   5.5510   0.5752 -1.112000 1.077000 
1 1 1   50    2    3 o   5.0660   0.4880   4.6380   0.7543   5.4940   0.6193 -0.8567000 0.9760000 
1 1 1   50    2    4 o   6.4660   0.3937   6.7940   0.5450   6.1380   0.5684 0.6564000 0.7874000 
1 1 1   50    2    5 o   3.0520   0.6589   2.2470   0.9486   3.8570   0.9147 -1.610000 1.318000 
1 1 1   50    2    6 o   3.6860   0.6806   3.0890   1.0360   4.2820   0.8834 -1.193000 1.361000 
1 1 1   50    2    7 o   4.7950   0.5852   5.1560   0.7776   4.4350   0.8747 0.7212000 1.170000 
1 1 1   50    2    8 o   2.1030   0.6685   2.3350   1.0190   1.8710   0.8657 0.4649000 1.337000 
1 1 1   50    2    9 o   7.0510   0.4779   6.0610   0.7115   8.0410   0.6383 -1.980000 0.9559000 
1 1 1   50    2   10 o   7.5080   0.4133   7.0980   0.6167   7.9180   0.5505 -0.8204000 0.8267000 
1 1 1   50    2   11 o   5.9210   0.5494   5.2500   0.8659   6.5910   0.6764 -1.341000 1.099000 
1 1 1   50    2   12 o   2.8270   0.7753   2.9370   1.1100   2.7170   1.0830 0.2192000 1.551000 
1 1 1   50    2   13 o   3.8600   1.0520   3.4430   1.4630   4.2760   1.5120 -0.8336000 2.103000 
1 1 1   50    2   14 o   2.5210   0.7386   2.0960   0.9660   2.9470   1.1170 -0.8507000 1.477000 
1 1 1   50    2   15 o   4.7360   0.7720   3.5590   1.1620   5.9130   1.0170 -2.354000 1.544000 
1 1 1   50    2   16 o   3.0120   0.8042   2.8400   1.1260   3.1840   1.1480 -0.3438000 1.608000 
1 1 1   50    2   17 o   2.0630   0.6767   2.2600   1.0190   1.8660   0.8912 0.3947000 1.353000 
1 1 1   50    2   18 o   2.0200   0.6713   2.0320   0.9541   2.0080   0.9445 0.2420000E-01 1.343000 
1 1 1   50    2   19 o   2.4340   0.7505   2.7890   1.1460   2.0780   0.9694 0.7117000 1.501000 
1 1 1   50    2   20 o   2.1250   0.7160   2.0410   0.9836   2.2090   1.0410 -0.1680000 1.432000 
1 1 1   50    4    0 o   8.4900   0.2827   7.8920   0.4514   9.0880   0.3403 -1.196000 0.5653000 
1 1 1   50    4    1 o   7.0180   0.5707   6.8000   0.9997   7.2360   0.5505 -0.4369000 1.141000 
1 1 1   50    4    2 o   8.4050   0.3208   8.0350   0.5154   8.7750   0.3822 -0.7400000 0.6417000 
1 1 1   50    4    3 f   2.9520   0.7197   3.4400   1.0880   2.4640   0.9420 0.9765000 1.439000 
1 1 1   50    4    4 o   5.0080   0.5676   4.9620   0.9051   5.0540   0.6850 -0.9239000E-01 1.135000 
1 1 1   50    4    5 o   2.2650   0.6740   2.0420   0.9377   2.4880   0.9685 -0.4463000 1.348000 
1 1 1   50    4    6 o   2.6830   0.7394   2.7810   1.0910   2.5860   0.9989 0.1950000 1.479000 
1 1 1   50    4    7 o   5.0140   0.7184   4.0120   1.2750   6.0150   0.6623 -2.003000 1.437000 
1 1 1   50    4    8 o   9.3400   0.3771   9.5340   0.5866   9.1470   0.4740 0.3874000 0.7542000 
1 1 1   50    4    9 o   8.0260   0.4825   7.9450   0.7118   8.1070   0.6515 -0.1619000 0.9650000 
1 1 1   50    4   10 o   8.7670   0.3712   8.7380   0.5301   8.7970   0.5198 -0.5950000E-01 0.7424000 
1 1 1   50    4   11 o   2.7340   0.7463   2.2480   0.9911   3.2210   1.1160 -0.9727000 1.493000 
1 1 1   50    4   12 f   2.3910   0.7610   2.4190   1.0850   2.3640   1.0680 0.5557000E-01 1.522000 
1 1 1   50    4   13 o   2.4030   0.7724   2.5360   1.1320   2.2700   1.0520 0.2661000 1.545000 
1 1 1   50    4   14 o   2.9470   0.7999   2.8430   1.1280   3.0500   1.1350 -0.2069000 1.600000 
1 1 1   50    4   15 o   2.7630   0.7925   2.7160   1.1150   2.8100   1.1270 -0.9435000E-01 1.585000 
1 1 1   50    4   16 o   3.5760   0.7632   4.6180   1.0780   2.5340   1.0810 2.084000 1.526000 
1 1 1   50    4   17 o   2.5670   0.7761   2.6260   1.1110   2.5080   1.0840 0.1177000 1.552000 
1 1 1   50    4   18 o   2.0810   0.6860   2.0740   0.9691   2.0880   0.9712 -0.1406000E-01 1.372000 
1 1 1   50    4   19 o   3.0920   0.8348   3.1980   1.2040   2.9870   1.1570 0.2110000 1.670000 
1 1 1   50    4   20 o   1.9670   0.6830   2.0480   0.9978   1.8860   0.9328 0.1622000 1.366000 
1 1 1   50    6    0 o   12.020   0.2163   11.550   0.3540   12.500   0.2487 -0.9487000 0.4326000 
1 1 1   50    6    1 o   10.070   0.4509   9.8800   0.8009   10.250   0.4146 -0.3741000 0.9018000 
1 1 1   50    6    2 o   3.8190   0.6624   3.5900   1.0550   4.0480   0.8021 -0.4580000 1.325000 
1 1 1   50    6    3 o   4.1750   0.6424   5.2990   0.8572   3.0510   0.9570 2.247000 1.285000 
1 1 1   50    6    4 o   6.5990   0.4437   6.8720   0.6955   6.3270   0.5512 0.5449000 0.8875000 
1 1 1   50    6    5 o   7.9820   0.5080   6.8000   0.9302   9.1650   0.4084 -2.365000 1.016000 
1 1 1   50    6    6 o   2.5590   0.6819   1.9650   0.8968   3.1530   1.0270 -1.188000 1.364000 
1 1 1   50    6    7 o   4.2720   0.6374   4.0020   0.9129   4.5410   0.8898 -0.5382000 1.275000 
1 1 1   50    6    8 o   4.7530   0.6190   5.3090   0.7444   4.1980   0.9892 1.110000 1.238000 
1 1 1   50    6    9 o   2.7770   0.8023   2.5120   1.0910   3.0430   1.1770 -0.5319000 1.605000 
1 1 1   50    6   10 o   4.1940   0.7245   4.4240   0.9824   3.9640   1.0650 0.4604000 1.449000 
1 1 1   50    6   11 f   3.4350   0.7666   4.3040   1.0560   2.5660   1.1110 1.737000 1.533000 
1 1 1   50    6   12 o   2.9750   0.8195   3.5960   1.2790   2.3530   1.0250 1.243000 1.639000 
1 1 1   50    6   13 o   3.4660   1.0060   5.0040   1.7830   1.9270   0.9318 3.077000 2.012000 
1 1 1   50    6   14 o   3.4740   0.8147   3.8640   1.1650   3.0840   1.1390 0.7794000 1.629000 
1 1 1   50    6   15 o   2.9280   0.7760   3.5880   1.1700   2.2690   1.0190 1.319000 1.552000 
1 1 1   50    6   16 o   3.9610   0.8208   3.9750   1.1590   3.9460   1.1630 0.2915000E-01 1.642000 
1 1 1   50    6   17 o   2.1120   0.6870   2.4170   1.0590   1.8070   0.8751 0.6100000 1.374000 
1 1 1   50    6   18 o   2.9770   0.7905   2.3870   1.0600   3.5680   1.1730 -1.180000 1.581000 
1 1 1   50    6   19 o   2.4690   0.7675   2.1960   1.0400   2.7430   1.1290 -0.5474000 1.535000 
1 1 1   50    8    0 o   8.2210   0.3108   8.4980   0.4619   7.9440   0.4159 0.5534000 0.6215000 
1 1 1   50    8    1 o   4.5580   0.4594   4.1930   0.7268   4.9230   0.5621 -0.7309000 0.9188000 
1 1 1   50    8    2 o   4.5570   0.5072   4.7340   0.6853   4.3810   0.7479 0.3534000 1.014000 
1 1 1   50    8    3 o   9.4390   0.2830   9.3220   0.4244   9.5550   0.3743 -0.2333000 0.5659000 
1 1 1   50    8    4 o   2.3040   0.6720   2.3410   0.9678   2.2670   0.9327 0.7377000E-01 1.344000 
1 1 1   50    8    5 o   10.220   0.2816   10.190   0.3888   10.250   0.4074 -0.6069000E-01 0.5632000 
1 1 1   50    8    6 o   3.8370   0.6747   3.3380   0.9991   4.3350   0.9071 -0.9976000 1.349000 
1 1 1   50    8    7 o   5.5590   0.5062   5.7340   0.6692   5.3830   0.7597 0.3516000 1.012000 
1 1 1   50    8    8 o   3.0610   0.8240   3.5850   1.2270   2.5370   1.1000 1.048000 1.648000 
1 1 1   50    8    9 o   7.2490   0.4850   7.3810   0.6098   7.1170   0.7543 0.2636000 0.9700000 
1 1 1   50    8   10 o   4.7420   0.7336   4.6740   0.9587   4.8100   1.1110 -0.1365000 1.467000 
1 1 1   50    8   11 o   2.8390   0.7488   2.2370   0.9922   3.4420   1.1220 -1.205000 1.498000 
1 1 1   50    8   12 o   3.4750   0.7942   3.8990   1.1250   3.0510   1.1210 0.8479000 1.588000 
1 1 1   50    8   13 o   2.5450   0.7980   2.3840   1.0970   2.7060   1.1590 -0.3219000 1.596000 
1 1 1   50    8   14 o   3.1170   0.8206   3.1990   1.1770   3.0340   1.1430 0.1645000 1.641000 
1 1 1   50    8   15 o   2.0840   0.6816   2.4070   1.0600   1.7620   0.8568 0.6446000 1.363000 
1 1 1   50    8   16 o   1.8340   0.6259   2.0420   0.9596   1.6260   0.8039 0.4164000 1.252000 
1 1 1   50    8   17 o   2.4710   0.7461   3.0570   1.1890   1.8840   0.9013 1.173000 1.492000 
1 1 1   50    8   18 o   2.1250   0.6806   1.5390   0.7699   2.7110   1.1230 -1.173000 1.361000 
1 1 1   50   10    0 o   7.3320   0.3137   7.0650   0.4849   7.5980   0.3982 -0.5327000 0.6275000 
1 1 1   50   10    1 o   10.060   0.2637   9.7450   0.3913   10.370   0.3534 -0.6263000 0.5273000 
1 1 1   50   10    2 o   10.330   0.2495   10.330   0.3557   10.340   0.3501 -0.1380000E-01 0.4991000 
1 1 1   50   10    3 o   10.230   0.2617   10.280   0.3732   10.180   0.3670 0.9770000E-01 0.5234000 
1 1 1   50   10    4 o   5.0750   0.5114   5.5570   0.6521   4.5930   0.7880 0.9645000 1.023000 
1 1 1   50   10    5 o   3.0780   0.7067   3.5800   0.9906   2.5770   1.0080 1.003000 1.413000 
1 1 1   50   10    6 o   6.9870   0.4060   7.0920   0.5547   6.8820   0.5931 0.2098000 0.8121000 
1 1 1   50   10    7 o   3.6320   0.7820   2.4580   1.0760   4.8070   1.1350 -2.349000 1.564000 
1 1 1   50   10    8 o   7.4990   0.4557   7.1990   0.6090   7.7990   0.6781 -0.6002000 0.9114000 
1 1 1   50   10    9 o   8.3930   0.3834   7.9540   0.5637   8.8310   0.5197 -0.8765000 0.7667000 
1 1 1   50   10   10 o   2.5340   0.7391   2.5380   1.0440   2.5310   1.0460 0.6780000E-02 1.478000 
1 1 1   50   10   11 o   2.2320   0.6978   2.4200   1.0310   2.0440   0.9406 0.3758000 1.396000 
1 1 1   50   10   12 o   2.5130   0.7891   2.8210   1.2000   2.2040   1.0250 0.6170000 1.578000 
1 1 1   50   10   13 o   2.5190   0.7145   3.3250   1.1610   1.7120   0.8337 1.613000 1.429000 
1 1 1   50   10   14 o   3.2770   0.7996   2.6220   1.1020   3.9330   1.1590 -1.310000 1.599000 
1 1 1   50   10   15 o   2.5730   0.7678   2.8470   1.1390   2.2990   1.0290 0.5481000 1.536000 
1 1 1   50   10   16 o   2.3500   0.7406   2.3360   1.0470   2.3640   1.0480 -0.2861000E-01 1.481000 
1 1 1   50   10   17 o   1.8620   0.6363   1.6700   0.8354   2.0530   0.9601 -0.3829000 1.273000 
1 1 1   50   10   18 o   2.9340   1.2900   2.9340   1.2900  ?   ?       ?      ? 
1 1 1   50   12    0 o   1.6740   0.5450   1.6310   0.7685   1.7170   0.7730 -0.8588000E-01 1.090000 
1 1 1   50   12    1 o   4.3730   0.5388   3.9450   0.8611   4.8010   0.6478 -0.8561000 1.078000 
1 1 1   50   12    2 o   5.3750   0.4581   5.1300   0.6999   5.6200   0.5913 -0.4898000 0.9162000 
1 1 1   50   12    3 o   4.0730   0.5998   3.7260   0.9484   4.4200   0.7345 -0.6934000 1.200000 
1 1 1   50   12    4 o   2.4700   0.6862   2.2180   0.9397   2.7220   1.0000 -0.5043000 1.372000 
1 1 1   50   12    5 o   7.0480   0.4239   6.5350   0.6059   7.5600   0.5929 -1.025000 0.8477000 
1 1 1   50   12    6 o   3.8030   0.9157   3.2070   1.1890   4.3990   1.3930 -1.193000 1.831000 
1 1 1   50   12    7 o   2.8330   0.7543   2.6400   1.0540   3.0260   1.0790 -0.3853000 1.509000 
1 1 1   50   12    8 o   5.3670   0.5899   5.8570   0.7574   4.8770   0.9045 0.9802000 1.180000 
1 1 1   50   12    9 f   3.8610   0.7235   4.7490   0.9450   2.9730   1.0960 1.776000 1.447000 
1 1 1   50   12   10 o   4.1880   0.7595   4.0840   1.0840   4.2920   1.0640 -0.2080000 1.519000 
1 1 1   50   12   11 o   3.5940   0.8702   2.9440   1.2220   4.2440   1.2390 -1.300000 1.740000 
1 1 1   50   12   12 o   4.1750   0.7500   3.2090   1.1550   5.1410   0.9577 -1.932000 1.500000 
1 1 1   50   12   13 f   4.2850   0.7921   4.4480   1.0920   4.1230   1.1470 0.3251000 1.584000 
1 1 1   50   12   14 o   3.1850   0.8033   3.6820   1.1650   2.6890   1.1070 0.9937000 1.607000 
1 1 1   50   12   15 o   2.2520   0.7063   1.7580   0.8678   2.7460   1.1150 -0.9888000 1.413000 
1 1 1   50   12   16 o   1.9260   0.6536   1.9750   0.9487   1.8780   0.8995 0.9703000E-01 1.307000 
1 1 1   50   14    0 o   2.9470   0.6393   2.3640   0.9458   3.5300   0.8604 -1.166000 1.279000 
1 1 1   50   14    1 o   4.9290   0.4974   5.0140   0.7316   4.8430   0.6742 0.1717000 0.9949000 
1 1 1   50   14    2 o   4.1490   0.6306   4.3310   0.8679   3.9670   0.9151 0.3648000 1.261000 
1 1 1   50   14    3 o   2.5800   0.7075   2.3730   0.9689   2.7870   1.0310 -0.4148000 1.415000 
1 1 1   50   14    4 o   8.1720   0.4038   8.1280   0.5085   8.2160   0.6273 -0.8794000E-01 0.8075000 
1 1 1   50   14    5 o   7.5320   0.5033   6.9860   0.7983   8.0780   0.6132 -1.092000 1.007000 
1 1 1   50   14    6 o   4.1600   0.7112   4.8160   0.9163   3.5040   1.0880 1.311000 1.422000 
1 1 1   50   14    7 o   4.8600   0.6571   4.7320   0.9442   4.9890   0.9142 -0.2573000 1.314000 
1 1 1   50   14    8 o   4.7880   0.6837   4.7590   0.9678   4.8180   0.9660 -0.5872000E-01 1.367000 
1 1 1   50   14    9 o   3.9650   0.7738   4.0460   1.0930   3.8830   1.0960 0.1636000 1.548000 
1 1 1   50   14   10 o   3.6450   0.9028   3.8280   1.3050   3.4620   1.2480 0.3653000 1.806000 
1 1 1   50   14   11 o   2.2470   0.7054   2.5260   1.0710   1.9670   0.9179 0.5586000 1.411000 
1 1 1   50   14   12 o   1.8620   0.6260   1.6330   0.8061   2.0900   0.9581 -0.4571000 1.252000 
1 1 1   50   14   13 o   2.7960   0.7615   3.4950   1.1760   2.0970   0.9682 1.399000 1.523000 
1 1 1   50   14   14 o   3.1470   0.8482   3.4110   1.2520   2.8820   1.1450 0.5296000 1.696000 
1 1 1   50   14   15 o   2.8630   0.8088   3.5450   1.2700   2.1800   1.0020 1.365000 1.618000 
1 1 1   50   16    0 o   3.7310   0.6678   3.3400   1.0210   4.1220   0.8611 -0.7821000 1.336000 
1 1 1   50   16    1 o   2.3540   0.6799   2.6120   1.0090   2.0960   0.9114 0.5158000 1.360000 
1 1 1   50   16    2 o   6.5460   0.5371   6.8760   0.7567   6.2150   0.7625 0.6605000 1.074000 
1 1 1   50   16    3 o   5.5230   0.6503   5.8020   0.9264   5.2440   0.9128 0.5577000 1.301000 
1 1 1   50   16    4 o   6.3070   0.4665   6.0740   0.7186   6.5400   0.5952 -0.4661000 0.9331000 
1 1 1   50   16    5 o   3.1570   0.7588   3.5500   1.0910   2.7630   1.0550 0.7863000 1.518000 
1 1 1   50   16    6 o   2.4430   0.7059   2.9580   1.0930   1.9290   0.8934 1.029000 1.412000 
1 1 1   50   16    7 o   2.1780   0.6795   2.0030   0.9289   2.3530   0.9918 -0.3504000 1.359000 
1 1 1   50   16    8 o   2.6710   0.8152   2.4510   1.1140   2.8910   1.1900 -0.4403000 1.630000 
1 1 1   50   16    9 o   2.4890   0.7146   3.1990   1.1430   1.7800   0.8575 1.419000 1.429000 
1 1 1   50   16   10 o   2.5230   0.7530   2.7760   1.1160   2.2710   1.0110 0.5043000 1.506000 
1 1 1   50   16   11 o   3.0640   0.8046   2.8590   1.1350   3.2690   1.1400 -0.4096000 1.609000 
1 1 1   50   16   12 o   1.9710   0.6626   2.2140   1.0250   1.7270   0.8399 0.4868000 1.325000 
1 1 1   50   16   13 o   3.7580   0.7853   2.7610   1.1660   4.7550   1.0530 -1.994000 1.571000 
1 1 1   50   18    0 o   2.5790   0.7352   2.0610   0.9586   3.0980   1.1150 -1.037000 1.470000 
1 1 1   50   18    1 o   3.0910   0.7323   2.8700   1.0560   3.3110   1.0150 -0.4416000 1.465000 
1 1 1   50   18    2 f   5.1850   0.5726   5.2050   0.8450   5.1650   0.7730 0.3968000E-01 1.145000 
1 1 1   50   18    3 o   3.2830   0.7550   3.2390   1.0900   3.3260   1.0460 -0.8674000E-01 1.510000 
1 1 1   50   18    4 o   1.6820   0.5724   1.6070   0.7866   1.7560   0.8316 -0.1490000 1.145000 
1 1 1   50   18    5 o   2.0320   0.6541   2.3120   1.0100   1.7510   0.8315 0.5612000 1.308000 
1 1 1   50   18    6 o   2.4040   0.7533   3.1610   1.2690   1.6470   0.8122 1.515000 1.507000 
1 1 1   50   18    7 o   2.4970   0.7731   3.1210   1.2570   1.8720   0.9004 1.248000 1.546000 
1 1 1   50   18    8 o   3.5080   0.7711   2.8040   1.1200   4.2110   1.0600 -1.407000 1.542000 
1 1 1   50   18    9 o   2.5110   0.7743   2.6460   1.1430   2.3760   1.0450 0.2702000 1.549000 
1 1 1   50   18   10 o   2.0860   0.6869   2.5570   1.1180   1.6150   0.7979 0.9420000 1.374000 
1 1 1   50   18   11 o   2.1020   0.7396   2.6350   1.2420   1.5700   0.8041 1.065000 1.479000 
1 1 1   50   20    0 o   2.0220   0.6478   2.2860   0.9970   1.7570   0.8275 0.5295000 1.296000 
1 1 1   50   20    1 o   4.3430   0.6847   4.9940   0.9242   3.6930   1.0110 1.301000 1.369000 
1 1 1   50   20    2 o   2.0730   0.6473   1.7060   0.8271   2.4390   0.9960 -0.7331000 1.295000 
1 1 1   50   20    3 o   3.5070   0.8723   3.4800   1.3110   3.5340   1.1510 -0.5434000E-01 1.745000 
1 1 1   50   20    4 o   1.6340   0.5759   1.6010   0.8079   1.6660   0.8210 -0.6581000E-01 1.152000 
1 1 1   50   20    5 o   2.0320   0.6672   2.4890   1.0890   1.5750   0.7708 0.9137000 1.334000 
1 1 1   50   20    6 o   2.1450   0.6968   1.9750   0.9444   2.3140   1.0250 -0.3397000 1.394000 
1 1 1   50   20    7 o   1.8400   0.6233   2.1400   0.9834   1.5410   0.7661 0.5996000 1.247000 
1 1 1   50   20    8 o   3.2190   1.4900   3.2190   1.4900  ?   ?       ?      ? 
1 1 1   50   22    0 o   2.2200   0.7477   2.2710   1.0920   2.1700   1.0220 0.1013000 1.495000 
1 1 1   50   22    1 o   2.6340   0.8401   2.9960   1.3100   2.2730   1.0520 0.7240000 1.680000 
1 1 1   50   22    2 o   1.9580   0.6512   1.7380   0.8540   2.1790   0.9832 -0.4415000 1.302000 
1 1 1   51    1    0 o   2.9970   0.6845   3.5580   0.9581   2.4370   0.9780 1.121000 1.369000 
1 1 1   51    1    1 o   3.1030   0.7366   3.0760   1.0290   3.1310   1.0540 -0.5485000E-01 1.473000 
1 1 1   51    1    2 o   10.330   0.2431   10.390   0.3467   10.260   0.3408 0.1282000 0.4862000 
1 1 1   51    1    3 o   6.3210   0.3953   6.2130   0.5887   6.4280   0.5277 -0.2146000 0.7906000 
1 1 1   51    1    4 o   6.2140   0.4154   6.2350   0.5967   6.1940   0.5782 0.4101000E-01 0.8309000 
1 1 1   51    1    5 o   4.2290   0.6257   3.9500   0.9245   4.5070   0.8433 -0.5573000 1.251000 
1 1 1   51    1    6 o   3.6580   0.6892   3.3310   1.0120   3.9860   0.9359 -0.6552000 1.378000 
1 1 1   51    1    7 o   2.9500   0.7207   2.5210   1.0060   3.3780   1.0330 -0.8569000 1.441000 
1 1 1   51    1    8 o   5.2230   0.6707   4.6690   1.0450   5.7780   0.8416 -1.109000 1.341000 
1 1 1   51    1    9 f   2.8720   0.7707   2.3350   1.0030   3.4090   1.1710 -1.075000 1.541000 
1 1 1   51    1   10 o   2.6200   0.7425   2.5490   1.0440   2.6920   1.0560 -0.1429000 1.485000 
1 1 1   51    1   11 o   3.8260   0.6865   5.1680   0.8925   2.4850   1.0430 2.683000 1.373000 
1 1 1   51    1   12 o   5.0940   0.6608   5.4660   0.8720   4.7230   0.9931 0.7431000 1.322000 
1 1 1   51    1   13 o   2.8080   0.9098   2.9830   1.3390   2.6320   1.2330 0.3516000 1.820000 
1 1 1   51    1   14 o   4.1900   0.7647   3.5160   1.1540   4.8650   1.0040 -1.349000 1.529000 
1 1 1   51    1   15 o   3.4830   0.7548   2.4980   1.0640   4.4670   1.0710 -1.969000 1.510000 
1 1 1   51    1   16 o   2.4070   0.7261   1.8780   0.8969   2.9360   1.1420 -1.059000 1.452000 
1 1 1   51    1   17 o   2.1620   0.6972   1.8690   0.8965   2.4550   1.0680 -0.5862000 1.394000 
1 1 1   51    1   18 o   2.0650   0.6809   2.1040   0.9742   2.0260   0.9516 0.7767000E-01 1.362000 
1 1 1   51    1   19 o   2.1330   0.6994   2.1160   0.9855   2.1500   0.9926 -0.3383000E-01 1.399000 
1 1 1   51    3    0 o   9.2010   0.2555   8.8180   0.3933   9.5840   0.3264 -0.7658000 0.5111000 
1 1 1   51    3    1 o   6.2470   0.5915   7.0810   0.9206   5.4120   0.7429 1.669000 1.183000 
1 1 1   51    3    2 o   9.8320   0.2764   9.9600   0.4258   9.7050   0.3526 0.2552000 0.5529000 
1 1 1   51    3    3 o   6.2090   0.4326   6.6780   0.6411   5.7410   0.5810 0.9368000 0.8652000 
1 1 1   51    3    4 o   8.4480   0.3481   8.3000   0.5560   8.5950   0.4191 -0.2943000 0.6962000 
1 1 1   51    3    5 o   4.0710   0.7035   3.7810   1.1300   4.3600   0.8385 -0.5791000 1.407000 
1 1 1   51    3    6 o   6.8740   0.4035   6.4420   0.6086   7.3060   0.5301 -0.8639000 0.8071000 
1 1 1   51    3    7 o   2.7620   0.6998   3.6200   1.0930   1.9040   0.8739 1.716000 1.400000 
1 1 1   51    3    8 f   2.3630   0.6742   1.7770   0.8419   2.9500   1.0530 -1.173000 1.348000 
1 1 1   51    3    9 o   3.8340   0.7726   4.1240   0.9969   3.5430   1.1810 0.5812000 1.545000 
1 1 1   51    3   10 o   2.0680   0.6623   2.0400   0.9294   2.0970   0.9438 -0.5744000E-01 1.325000 
1 1 1   51    3   11 o   5.0590   0.6356   5.1280   0.8950   4.9900   0.9026 0.1378000 1.271000 
1 1 1   51    3   12 o   5.4640   0.7563   4.5850   1.2120   6.3430   0.9050 -1.758000 1.513000 
1 1 1   51    3   13 o   4.9740   0.7918   6.5720   0.9514   3.3760   1.2660 3.196000 1.584000 
1 1 1   51    3   14 o   3.7040   0.7991   4.2410   1.1200   3.1680   1.1400 1.073000 1.598000 
1 1 1   51    3   15 o   2.2650   0.7139   2.5430   1.0820   1.9870   0.9320 0.5560000 1.428000 
1 1 1   51    3   16 o   1.7910   0.6127   1.9030   0.9059   1.6790   0.8251 0.2248000 1.225000 
1 1 1   51    3   17 o   2.4980   0.7573   2.2430   1.0190   2.7540   1.1210 -0.5103000 1.515000 
1 1 1   51    3   18 o   3.4720   0.8444   3.7880   1.2050   3.1550   1.1830 0.6327000 1.689000 
1 1 1   51    3   19 o   2.0980   0.6864   1.8360   0.8889   2.3600   1.0460 -0.5242000 1.373000 
1 1 1   51    5    0 o   1.9580   0.5937   1.7990   0.8204   2.1170   0.8585 -0.3183000 1.187000 
1 1 1   51    5    1 o   5.5470   0.7074   5.7900   1.2060   5.3040   0.7400 0.4857000 1.415000 
1 1 1   51    5    2 f   3.6180   0.6882   3.3940   1.0850   3.8430   0.8471 -0.4490000 1.376000 
1 1 1   51    5    3 o   7.9780   0.3566   8.3480   0.5517   7.6070   0.4520 0.7403000 0.7132000 
1 1 1   51    5    4 f   6.0320   0.4692   6.7990   0.6757   5.2650   0.6511 1.534000 0.9383000 
1 1 1   51    5    5 o   3.1230   0.7439   3.4740   1.1280   2.7720   0.9696 0.7021000 1.488000 
1 1 1   51    5    6 f   3.1910   0.7430   2.5340   1.1230   3.8490   0.9735 -1.315000 1.486000 
1 1 1   51    5    7 o   4.8500   0.6802   4.5610   1.1070   5.1380   0.7902 -0.5769000 1.360000 
1 1 1   51    5    8 o   5.0270   0.6701   5.2410   0.9932   4.8120   0.8998 0.4292000 1.340000 
1 1 1   51    5    9 o   2.2440   0.7213   2.5990   1.1210   1.8890   0.9082 0.7104000 1.443000 
1 1 1   51    5   10 o   2.0680   0.6690   1.8300   0.8904   2.3060   0.9987 -0.4761000 1.338000 
1 1 1   51    5   11 o   4.0520   0.8637   4.1940   1.2220   3.9100   1.2210 0.2840000 1.727000 
1 1 1   51    5   12 o   2.7310   0.7725   2.7480   1.0960   2.7130   1.0890 0.3525000E-01 1.545000 
1 1 1   51    5   13 f   2.8460   0.7932   1.9840   0.9609   3.7070   1.2620 -1.723000 1.586000 
1 1 1   51    5   14 o   3.7990   0.7821   4.6000   1.0660   2.9980   1.1450 1.602000 1.564000 
1 1 1   51    5   15 o   3.6430   0.8195   3.1700   1.1630   4.1160   1.1540 -0.9466000 1.639000 
1 1 1   51    5   16 o   2.2860   0.7216   2.5500   1.0880   2.0210   0.9486 0.5284000 1.443000 
1 1 1   51    5   17 o   2.1030   0.6871   1.8630   0.8976   2.3430   1.0410 -0.4796000 1.374000 
1 1 1   51    5   18 o   2.1930   0.7069   2.5130   1.0910   1.8730   0.8994 0.6401000 1.414000 
1 1 1   51    5   19 o   1.7470   0.6102   1.8450   0.9090   1.6490   0.8143 0.1959000 1.220000 
1 1 1   51    7    0 o   3.8520   0.6170   3.4870   0.9729   4.2160   0.7590 -0.7282000 1.234000 
1 1 1   51    7    1 o   8.8290   0.2928   8.7970   0.4603   8.8610   0.3621 -0.6448000E-01 0.5857000 
1 1 1   51    7    2 o   6.2700   0.3644   6.0110   0.5298   6.5280   0.5003 -0.5169000 0.7287000 
1 1 1   51    7    3 o   1.8900   0.5943   1.9720   0.8593   1.8090   0.8211 0.1633000 1.189000 
1 1 1   51    7    4 o   3.7190   0.6295   2.7890   1.0170   4.6490   0.7415 -1.860000 1.259000 
1 1 1   51    7    5 o   4.0310   0.6596   4.5440   0.8908   3.5180   0.9729 1.026000 1.319000 
1 1 1   51    7    6 o   7.4070   0.3808   7.5520   0.5170   7.2620   0.5593 0.2894000 0.7617000 
1 1 1   51    7    7 o   2.0220   0.6265   1.4910   0.7321   2.5520   1.0170 -1.061000 1.253000 
1 1 1   51    7    8 f   6.9400   0.5492   6.7120   0.8098   7.1690   0.7420 -0.4574000 1.098000 
1 1 1   51    7    9 o   2.9600   0.7715   2.9550   1.0900   2.9660   1.0920 -0.1017000E-01 1.543000 
1 1 1   51    7   10 o   6.4430   0.5463   6.5190   0.6835   6.3670   0.8523 0.1515000 1.093000 
1 1 1   51    7   11 o   4.3600   0.7312   4.5120   0.9961   4.2070   1.0710 0.3052000 1.462000 
1 1 1   51    7   12 o   3.9650   0.7820   4.1180   1.0930   3.8120   1.1180 0.3065000 1.564000 
1 1 1   51    7   13 o   2.7760   0.8278   2.3710   1.0970   3.1800   1.2400 -0.8091000 1.656000 
1 1 1   51    7   14 o   3.3070   0.7984   2.6200   1.1050   3.9940   1.1530 -1.374000 1.597000 
1 1 1   51    7   15 o   4.9110   0.7518   4.2980   1.1760   5.5240   0.9373 -1.225000 1.504000 
1 1 1   51    7   16 o   1.8920   0.6234   2.2790   0.9933   1.5050   0.7534 0.7734000 1.247000 
1 1 1   51    7   17 o   2.2200   0.6983   1.7460   0.8398   2.6950   1.1160 -0.9484000 1.397000 
1 1 1   51    7   18 o   2.0400   0.6759   2.1090   0.9779   1.9720   0.9334 0.1372000 1.352000 
1 1 1   51    9    0 o   9.2100   0.2383   8.8220   0.3536   9.5980   0.3196 -0.7753000 0.4766000 
1 1 1   51    9    1 o   2.0460   0.5836   1.6430   0.7582   2.4480   0.8875 -0.8050000 1.167000 
1 1 1   51    9    2 o   8.8910   0.2904   8.6640   0.4326   9.1180   0.3875 -0.4543000 0.5807000 
1 1 1   51    9    3 o   7.4970   0.3467   7.1020   0.5342   7.8910   0.4422 -0.7887000 0.6935000 
1 1 1   51    9    4 o   4.6100   0.5487   4.4640   0.8027   4.7560   0.7482 -0.2924000 1.097000 
1 1 1   51    9    5 o   8.5320   0.3281   9.0760   0.4262   7.9880   0.4989 1.088000 0.6561000 
1 1 1   51    9    6 o   8.7680   0.3276   8.6780   0.4629   8.8580   0.4639 -0.1804000 0.6553000 
1 1 1   51    9    7 o   3.2010   0.6813   4.2280   0.9284   2.1750   0.9972 2.053000 1.363000 
1 1 1   51    9    8 o   2.7570   0.8375   2.2270   1.0190   3.2870   1.3290 -1.060000 1.675000 
1 1 1   51    9    9 o   4.2980   0.7652   4.3210   1.0010   4.2750   1.1580 0.4592000E-01 1.530000 
1 1 1   51    9   10 o   4.8600   0.6693   5.2300   0.8662   4.4900   1.0210 0.7401000 1.339000 
1 1 1   51    9   11 o   2.4920   0.7197   1.8430   0.8809   3.1410   1.1380 -1.299000 1.439000 
1 1 1   51    9   12 o   5.4660   0.7890   6.2390   1.0180   4.6930   1.2060 1.546000 1.578000 
1 1 1   51    9   13 f   2.0400   0.6711   2.0510   0.9565   2.0280   0.9415 0.2255000E-01 1.342000 
1 1 1   51    9   14 o   3.5530   0.8051   2.8930   1.1450   4.2130   1.1320 -1.320000 1.610000 
1 1 1   51    9   15 o   2.3910   0.7452   2.3790   1.0530   2.4020   1.0550 -0.2313000E-01 1.490000 
1 1 1   51    9   16 o   2.3950   0.7359   1.9340   0.9277   2.8560   1.1430 -0.9227000 1.472000 
1 1 1   51    9   17 o   2.0620   0.6834   1.7800   0.8831   2.3440   1.0430 -0.5639000 1.367000 
1 1 1   51    9   18 o   2.3640   1.1980   2.3640   1.1980  ?   ?       ?      ? 
1 1 1   51   11    0 o   6.0710   0.3747   5.9710   0.5479   6.1720   0.5111 -0.2011000 0.7493000 
1 1 1   51   11    1 o   7.8820   0.3006   7.8070   0.4433   7.9580   0.4060 -0.1508000 0.6011000 
1 1 1   51   11    2 o   11.980   0.2248   12.010   0.3306   11.960   0.3048 0.5158000E-01 0.4496000 
1 1 1   51   11    3 o   6.0290   0.3950   5.9870   0.5919   6.0720   0.5230 -0.8462000E-01 0.7899000 
1 1 1   51   11    4 o   1.9000   0.6062   2.0870   0.9045   1.7120   0.8072 0.3757000 1.212000 
1 1 1   51   11    5 o   9.0800   0.3196   8.5300   0.4667   9.6290   0.4369 -1.099000 0.6393000 
1 1 1   51   11    6 o   3.3790   0.8427   3.4130   1.0410   3.3460   1.3260 0.6769000E-01 1.685000 
1 1 1   51   11    7 f   2.8770   0.8629   2.5430   1.1080   3.2110   1.3230 -0.6682000 1.726000 
1 1 1   51   11    8 o   2.5750   0.7364   2.4510   1.0220   2.6980   1.0610 -0.2465000 1.473000 
1 1 1   51   11    9 o   2.9970   0.7678   3.2930   1.1040   2.7010   1.0670 0.5920000 1.536000 
1 1 1   51   11   10 o   2.6620   0.7571   2.4710   1.0390   2.8530   1.1010 -0.3820000 1.514000 
1 1 1   51   11   11 o   2.2530   0.7404   2.1010   1.0040   2.4060   1.0880 -0.3052000 1.481000 
1 1 1   51   11   12 o   1.8110   0.6147   1.6410   0.8068   1.9820   0.9277 -0.3410000 1.229000 
1 1 1   51   11   13 o   4.2870   0.7852   4.6120   1.0760   3.9610   1.1440 0.6508000 1.570000 
1 1 1   51   11   14 o   2.5970   0.7618   2.1600   0.9909   3.0330   1.1570 -0.8722000 1.524000 
1 1 1   51   11   15 o   2.0250   0.6678   2.3360   1.0400   1.7140   0.8377 0.6227000 1.336000 
1 1 1   51   11   16 o   2.3210   0.7400   2.1760   1.0210   2.4670   1.0710 -0.2912000 1.480000 
1 1 1   51   13    0 o   2.2900   0.6442   2.3440   0.9395   2.2360   0.8817 0.1081000 1.288000 
1 1 1   51   13    1 o   3.1420   0.6698   3.3770   0.9713   2.9080   0.9225 0.4692000 1.340000 
1 1 1   51   13    2 f   3.2290   0.6770   3.0370   0.9963   3.4210   0.9169 -0.3836000 1.354000 
1 1 1   51   13    3 o   8.4310   0.3231   8.5330   0.4557   8.3300   0.4583 0.2028000 0.6463000 
1 1 1   51   13    4 f   3.3250   0.6979   2.6780   1.0090   3.9710   0.9649 -1.293000 1.396000 
1 1 1   51   13    5 o   4.6500   0.7920   4.1580   1.1580   5.1420   1.0810 -0.9847000 1.584000 
1 1 1   51   13    6 o   7.0730   0.5044   6.9160   0.8056   7.2310   0.6072 -0.3155000 1.009000 
1 1 1   51   13    7 o   2.1980   0.6584   2.8070   1.0630   1.5880   0.7775 1.219000 1.317000 
1 1 1   51   13    8 o   2.7310   0.7530   2.8350   1.0790   2.6260   1.0510 0.2098000 1.506000 
1 1 1   51   13    9 o   1.9280   0.6382   1.9100   0.8980   1.9450   0.9071 -0.3510000E-01 1.276000 
1 1 1   51   13   10 o   3.9020   0.8906   3.5980   1.2880   4.2060   1.2300 -0.6082000 1.781000 
1 1 1   51   13   11 o   1.9850   0.6550   2.1590   0.9805   1.8110   0.8689 0.3475000 1.310000 
1 1 1   51   13   12 o   1.8580   0.6253   2.1620   0.9840   1.5530   0.7719 0.6098000 1.251000 
1 1 1   51   13   13 o   2.8030   0.7879   3.0540   1.1450   2.5520   1.0830 0.5017000 1.576000 
1 1 1   51   13   14 o   2.5370   0.7761   2.7670   1.1620   2.3070   1.0290 0.4603000 1.552000 
1 1 1   51   13   15 o   3.0600   0.8419   2.9480   1.2110   3.1720   1.1700 -0.2244000 1.684000 
1 1 1   51   15    0 o   5.8120   0.4367   6.1720   0.6026   5.4510   0.6322 0.7209000 0.8734000 
1 1 1   51   15    1 o   6.4040   0.4231   7.0020   0.5318   5.8060   0.6582 1.196000 0.8462000 
1 1 1   51   15    2 o   7.9210   0.3441   7.6260   0.5119   8.2160   0.4599 -0.5906000 0.6881000 
1 1 1   51   15    3 o   7.4340   0.4821   6.8120   0.7604   8.0560   0.5928 -1.244000 0.9642000 
1 1 1   51   15    4 o   6.4590   0.5950   6.8720   0.7950   6.0460   0.8855 0.8262000 1.190000 
1 1 1   51   15    5 o   3.2470   0.7427   2.7510   1.0670   3.7420   1.0330 -0.9909000 1.485000 
1 1 1   51   15    6 o   4.4640   0.6707   4.8660   0.9230   4.0610   0.9733 0.8046000 1.341000 
1 1 1   51   15    7 o   2.6790   0.7539   2.9720   1.1110   2.3860   1.0190 0.5857000 1.508000 
1 1 1   51   15    8 o   2.6790   0.7563   2.3320   1.0170   3.0270   1.1200 -0.6958000 1.513000 
1 1 1   51   15    9 o   3.0080   0.8638   3.2500   1.2750   2.7660   1.1650 0.4844000 1.728000 
1 1 1   51   15   10 o   2.4900   0.7438   2.2810   1.0140   2.6990   1.0890 -0.4174000 1.488000 
1 1 1   51   15   11 o   1.9900   0.6526   2.3900   1.0430   1.5890   0.7846 0.8007000 1.305000 
1 1 1   51   15   12 o   2.7810   0.7929   2.9560   1.1570   2.6060   1.0840 0.3502000 1.586000 
1 1 1   51   15   13 f   2.6020   0.7857   2.7890   1.1690   2.4150   1.0500 0.3735000 1.571000 
1 1 1   51   17    0 o   4.9740   0.6066   4.9910   0.7914   4.9570   0.9196 0.3435000E-01 1.213000 
1 1 1   51   17    1 o   4.6560   0.7282   4.0080   1.1610   5.3050   0.8796 -1.297000 1.456000 
1 1 1   51   17    2 o   4.8220   0.6709   4.3040   1.1240   5.3390   0.7329 -1.036000 1.342000 
1 1 1   51   17    3 o   4.8030   0.6198   5.1420   0.8412   4.4640   0.9106 0.6780000 1.240000 
1 1 1   51   17    4 o   3.7500   0.7336   3.7710   1.0620   3.7290   1.0120 0.4232000E-01 1.467000 
1 1 1   51   17    5 o   4.1340   0.6866   5.2600   0.8668   3.0080   1.0650 2.251000 1.373000 
1 1 1   51   17    6 o   1.7320   0.5912   1.9590   0.9182   1.5050   0.7451 0.4543000 1.182000 
1 1 1   51   17    7 o   1.8380   0.6365   1.9880   0.9663   1.6870   0.8286 0.3003000 1.273000 
1 1 1   51   17    8 o   2.6390   0.7570   2.8670   1.1200   2.4120   1.0190 0.4551000 1.514000 
1 1 1   51   17    9 o   2.1420   0.6897   1.9450   0.9201   2.3400   1.0280 -0.3949000 1.379000 
1 1 1   51   17   10 o   1.7990   0.6183   1.8500   0.9002   1.7480   0.8478 0.1022000 1.237000 
1 1 1   51   17   11 o   2.7040   0.7713   2.2160   1.0260   3.1920   1.1520 -0.9760000 1.543000 
1 1 1   51   19    0 f   2.1630   0.6670   2.2030   0.9648   2.1230   0.9211 0.7935000E-01 1.334000 
1 1 1   51   19    1 o   2.8610   0.7457   2.8130   1.0790   2.9090   1.0290 -0.9558000E-01 1.491000 
1 1 1   51   19    2 o   3.5520   0.7310   3.0210   1.0970   4.0830   0.9664 -1.062000 1.462000 
1 1 1   51   19    3 o   2.2610   0.6818   2.7540   1.0760   1.7680   0.8381 0.9865000 1.364000 
1 1 1   51   19    4 o   2.6590   0.7459   2.4730   1.0410   2.8450   1.0680 -0.3722000 1.492000 
1 1 1   51   19    5 o   1.9420   0.6622   1.9720   0.9584   1.9130   0.9140 0.5873000E-01 1.324000 
1 1 1   51   19    6 o   3.0420   0.7884   3.0430   1.1390   3.0400   1.0900 0.3199000E-02 1.577000 
1 1 1   51   19    7 o   1.8570   0.6354   2.1250   0.9954   1.5900   0.7901 0.5354000 1.271000 
1 1 1   51   19    8 o   2.7280   0.8050   2.5900   1.1300   2.8660   1.1470 -0.2766000 1.610000 
1 1 1   51   21    0 o   2.3090   0.6985   2.2380   0.9878   2.3800   0.9879 -0.1425000 1.397000 
1 1 1   51   21    1 o   2.9180   0.7545   2.5730   1.0630   3.2620   1.0710 -0.6889000 1.509000 
1 1 1   51   21    2 o   2.9110   0.8702   3.4860   1.4010   2.3350   1.0330 1.151000 1.740000 
1 1 1   51   21    3 o   2.1040   0.7194   2.4900   1.1740   1.7170   0.8319 0.7727000 1.439000 
1 1 1   51   21    4 o   2.3110   0.7327   2.3870   1.0700   2.2350   1.0010 0.1527000 1.465000 
1 1 1   52    0    0 o   14.370   0.4721   14.370   0.4721   14.370   0.4721 0.000000 0.000000 
1 1 1   52    0    1 o   14.220   0.2692   14.220   0.2692   14.220   0.2692 0.000000 0.000000 
1 1 1   52    0    2 o   4.8760   0.7262   4.8760   0.7262   4.8760   0.7262 0.000000 0.000000 
1 1 1   52    0    3 o   5.8100   0.6003   5.8100   0.6003   5.8100   0.6003 0.000000 0.000000 
1 1 1   52    0    4 o   3.8610   1.0210   3.8610   1.0210   3.8610   1.0210 0.000000 0.000000 
1 1 1   52    0    5 o   7.8060   0.4868   7.8060   0.4868   7.8060   0.4868 0.000000 0.000000 
1 1 1   52    0    6 o   1.6900   1.0540   1.6900   1.0540   1.6900   1.0540 0.000000 0.000000 
1 1 1   52    0    7 o   4.4240   0.9689   4.4240   0.9689   4.4240   0.9689 0.000000 0.000000 
1 1 1   52    0    8 o   1.3320   0.9305   1.3320   0.9305   1.3320   0.9305 0.000000 0.000000 
1 1 1   52    0    9 o   7.6150   0.5822   7.6150   0.5822   7.6150   0.5822 0.000000 0.000000 
1 1 1   52    0   10 o   5.7870   0.7960   5.7870   0.7960   5.7870   0.7960 0.000000 0.000000 
1 1 1   52    0   11 o   1.7530   1.1160   1.7530   1.1160   1.7530   1.1160 0.000000 0.000000 
1 1 1   52    0   12 o   4.8060   1.0900   4.8060   1.0900   4.8060   1.0900 0.000000 0.000000 
1 1 1   52    0   13 o   2.7050   1.6510   2.7050   1.6510   2.7050   1.6510 0.000000 0.000000 
1 1 1   52    0   14 o   2.2280   1.3000   2.2280   1.3000   2.2280   1.3000 0.000000 0.000000 
1 1 1   52    0   15 o   2.5420   1.3710   2.5420   1.3710   2.5420   1.3710 0.000000 0.000000 
1 1 1   52    0   16 o   1.6560   1.0980   1.6560   1.0980   1.6560   1.0980 0.000000 0.000000 
1 1 1   52    0   17 o   1.5460   1.0510   1.5460   1.0510   1.5460   1.0510 0.000000 0.000000 
1 1 1   52    0   18 o   2.6640   1.4020   2.6640   1.4020   2.6640   1.4020 0.000000 0.000000 
1 1 1   52    0   19 o   1.8000   1.1690   1.8000   1.1690   1.8000   1.1690 0.000000 0.000000 
1 1 1   52    2    0 o   1.9220   0.5765   1.5390   0.7320   2.3050   0.8907 -0.7665000 1.153000 
1 1 1   52    2    1 o   6.4970   0.5521   6.6880   0.9086   6.3060   0.6275 0.3821000 1.104000 
1 1 1   52    2    2 o   7.9910   0.2989   8.4170   0.4052   7.5650   0.4396 0.8521000 0.5979000 
1 1 1   52    2    3 o   5.3430   0.4516   5.3720   0.6430   5.3150   0.6344 0.5712000E-01 0.9033000 
1 1 1   52    2    4 o   3.0600   0.7053   3.1350   1.0170   2.9860   0.9776 0.1485000 1.411000 
1 1 1   52    2    5 o   4.5210   0.5898   4.3130   0.9059   4.7280   0.7554 -0.4142000 1.180000 
1 1 1   52    2    6 o   3.4390   0.7230   3.5570   1.0250   3.3210   1.0200 0.2359000 1.446000 
1 1 1   52    2    7 o   7.1380   0.4312   7.1870   0.6529   7.0900   0.5634 0.9713000E-01 0.8624000 
1 1 1   52    2    8 o   6.6800   0.5698   5.0620   0.9618   8.2970   0.6114 -3.235000 1.140000 
1 1 1   52    2    9 o   5.4240   0.5814   6.0750   0.7102   4.7730   0.9206 1.302000 1.163000 
1 1 1   52    2   10 o   6.0180   0.5224   5.7620   0.7694   6.2750   0.7068 -0.5130000 1.045000 
1 1 1   52    2   11 o   2.1720   0.6845   2.0350   0.9318   2.3090   1.0030 -0.2732000 1.369000 
1 1 1   52    2   12 o   2.8380   0.8220   3.2670   1.2370   2.4090   1.0830 0.8579000 1.644000 
1 1 1   52    2   13 o   2.9170   0.7859   1.8900   0.9268   3.9440   1.2700 -2.054000 1.572000 
1 1 1   52    2   14 o   2.7750   0.7859   2.7820   1.1190   2.7680   1.1040 0.1393000E-01 1.572000 
1 1 1   52    2   15 o   4.8410   0.7265   4.0670   1.1540   5.6150   0.8826 -1.548000 1.453000 
1 1 1   52    2   16 o   2.3470   0.7132   1.7420   0.8491   2.9510   1.1460 -1.209000 1.426000 
1 1 1   52    2   17 o   2.9880   0.7821   3.7320   1.1880   2.2430   1.0170 1.489000 1.564000 
1 1 1   52    2   18 o   1.7290   0.5988   1.7360   0.8499   1.7210   0.8439 0.1538000E-01 1.198000 
1 1 1   52    2   19 o   2.1970   0.7122   2.1630   0.9989   2.2310   1.0150 -0.6811000E-01 1.424000 
1 1 1   52    4    0 o   2.5070   0.6073   3.3110   0.9407   1.7020   0.7684 1.609000 1.215000 
1 1 1   52    4    1 o   6.4630   0.6179   5.9980   1.0950   6.9270   0.5734 -0.9291000 1.236000 
1 1 1   52    4    2 o   3.1550   0.6836   2.8380   1.0420   3.4710   0.8855 -0.6324000 1.367000 
1 1 1   52    4    3 o   6.9350   0.3996   6.9100   0.6332   6.9590   0.4877 -0.4906000E-01 0.7992000 
1 1 1   52    4    4 o   2.7890   0.7318   2.8550   1.0870   2.7230   0.9804 0.1313000 1.464000 
1 1 1   52    4    5 o   6.1240   0.4787   6.2230   0.7430   6.0250   0.6039 0.1988000 0.9575000 
1 1 1   52    4    6 o   3.1780   0.7447   2.5310   1.1140   3.8260   0.9888 -1.296000 1.489000 
1 1 1   52    4    7 o   10.030   0.3949   9.8300   0.6672   10.220   0.4225 -0.3929000 0.7897000 
1 1 1   52    4    8 f   4.7400   0.7694   5.1590   1.0460   4.3210   1.1290 0.8386000 1.539000 
1 1 1   52    4    9 o   5.8920   0.6272   6.7890   0.6684   4.9950   1.0610 1.795000 1.254000 
1 1 1   52    4   10 o   2.2570   0.6993   2.2440   0.9860   2.2690   0.9920 -0.2528000E-01 1.399000 
1 1 1   52    4   11 o   3.1260   0.8308   2.5830   1.1130   3.6700   1.2340 -1.086000 1.662000 
1 1 1   52    4   12 o   3.3930   0.8796   3.3390   1.2440   3.4470   1.2440 -0.1083000 1.759000 
1 1 1   52    4   13 o   3.0140   0.8521   2.5610   1.1450   3.4680   1.2620 -0.9068000 1.704000 
1 1 1   52    4   14 o   3.9240   0.7937   3.4940   1.1640   4.3540   1.0790 -0.8600000 1.587000 
1 1 1   52    4   15 o   5.7870   0.6381   5.5090   0.9413   6.0650   0.8618 -0.5552000 1.276000 
1 1 1   52    4   16 o   2.8240   0.8040   2.7830   1.1320   2.8650   1.1420 -0.8206000E-01 1.608000 
1 1 1   52    4   17 o   2.6060   0.7695   2.9770   1.1560   2.2350   1.0160 0.7413000 1.539000 
1 1 1   52    4   18 o   2.2260   0.7161   2.4710   1.0800   1.9810   0.9408 0.4895000 1.432000 
1 1 1   52    6    0 f   11.340   0.2244   11.130   0.3668   11.550   0.2588 -0.4253000 0.4489000 
1 1 1   52    6    1 o   12.360   0.3899   12.200   0.6933   12.510   0.3567 -0.3117000 0.7797000 
1 1 1   52    6    2 o   3.3010   0.6933   3.8460   1.0200   2.7570   0.9390 1.089000 1.387000 
1 1 1   52    6    3 o   4.2600   0.6469   4.6920   0.9547   3.8290   0.8731 0.8635000 1.294000 
1 1 1   52    6    4 o   4.6940   0.6429   4.2870   1.0890   5.1000   0.6830 -0.8134000 1.286000 
1 1 1   52    6    5 o   2.7000   0.7813   3.2880   1.2720   2.1110   0.9073 1.178000 1.563000 
1 1 1   52    6    6 o   8.7110   0.3926   8.3900   0.6358   9.0330   0.4607 -0.6433000 0.7851000 
1 1 1   52    6    7 o   7.7200   0.4290   8.3670   0.6301   7.0730   0.5823 1.294000 0.8579000 
1 1 1   52    6    8 o   2.9640   0.8155   3.0290   1.1610   2.8990   1.1450 0.1300000 1.631000 
1 1 1   52    6    9 o   2.5960   0.7678   2.7740   1.1480   2.4180   1.0200 0.3557000 1.536000 
1 1 1   52    6   10 o   2.9090   0.8279   3.2120   1.2270   2.6050   1.1120 0.6071000 1.656000 
1 1 1   52    6   11 o   4.5960   0.8347   4.2200   1.2610   4.9720   1.0930 -0.7519000 1.669000 
1 1 1   52    6   12 o   2.5440   0.7744   2.4360   1.1060   2.6530   1.0840 -0.2172000 1.549000 
1 1 1   52    6   13 o   3.7290   1.0380   3.8330   1.6400   3.6260   1.2730 0.2067000 2.076000 
1 1 1   52    6   14 o   2.1880   0.7059   2.2050   1.0060   2.1720   0.9906 0.3302000E-01 1.412000 
1 1 1   52    6   15 o   2.4990   0.7617   2.3380   1.0450   2.6600   1.1080 -0.3212000 1.523000 
1 1 1   52    6   16 o   2.1280   0.6856   1.7210   0.8419   2.5360   1.0820 -0.8145000 1.371000 
1 1 1   52    6   17 o   2.8130   0.7935   2.3980   1.0570   3.2290   1.1840 -0.8318000 1.587000 
1 1 1   52    6   18 o   2.0020   0.6793   2.2170   1.0450   1.7870   0.8680 0.4307000 1.359000 
1 1 1   52    8    0 o   4.7770   0.5253   5.5710   0.6723   3.9830   0.8072 1.588000 1.051000 
1 1 1   52    8    1 o   6.7710   0.3081   7.0850   0.4311   6.4570   0.4404 0.6288000 0.6163000 
1 1 1   52    8    2 o   6.3670   0.3652   5.6690   0.5643   7.0650   0.4638 -1.396000 0.7304000 
1 1 1   52    8    3 o   2.6520   0.6909   2.6040   0.9903   2.6990   0.9636 -0.9486000E-01 1.382000 
1 1 1   52    8    4 o   11.510   0.2456   11.280   0.3518   11.750   0.3427 -0.4712000 0.4912000 
1 1 1   52    8    5 o   1.9830   0.6224   2.0740   0.9040   1.8920   0.8557 0.1817000 1.245000 
1 1 1   52    8    6 o   5.6240   0.4852   5.4250   0.6988   5.8240   0.6733 -0.3989000 0.9704000 
1 1 1   52    8    7 o   3.8180   0.6971   4.1200   0.9340   3.5160   1.0350 0.6034000 1.394000 
1 1 1   52    8    8 o   1.9830   0.6700   2.1910   1.0190   1.7750   0.8696 0.4161000 1.340000 
1 1 1   52    8    9 f   3.4870   0.8201   3.2500   1.1200   3.7230   1.1980 -0.4736000 1.640000 
1 1 1   52    8   10 o   4.8170   0.6757   4.7790   0.9662   4.8550   0.9449 -0.7655000E-01 1.351000 
1 1 1   52    8   11 o   2.8450   0.7779   2.6910   1.0830   2.9990   1.1170 -0.3081000 1.556000 
1 1 1   52    8   12 o   3.8510   0.8548   4.8700   1.2340   2.8310   1.1830 2.039000 1.710000 
1 1 1   52    8   13 o   1.9080   0.6412   2.0600   0.9565   1.7560   0.8541 0.3037000 1.282000 
1 1 1   52    8   14 o   2.1810   0.7007   2.4740   1.0730   1.8870   0.9018 0.5871000 1.401000 
1 1 1   52    8   15 o   2.4650   0.7584   2.4820   1.0810   2.4470   1.0640 0.3446000E-01 1.517000 
1 1 1   52    8   16 o   2.4850   0.7286   1.7760   0.8674   3.1940   1.1710 -1.418000 1.457000 
1 1 1   52    8   17 o   3.0590   0.8363   3.3440   1.2300   2.7740   1.1340 0.5697000 1.673000 
1 1 1   52   10    0 f   11.290   0.2387   11.080   0.3485   11.490   0.3263 -0.4093000 0.4775000 
1 1 1   52   10    1 o   9.7690   0.2725   9.4570   0.4015   10.080   0.3686 -0.6230000 0.5450000 
1 1 1   52   10    2 o   6.3060   0.3640   6.3710   0.5280   6.2410   0.5012 0.1301000 0.7280000 
1 1 1   52   10    3 o   2.6710   0.6827   2.8020   0.9681   2.5400   0.9627 0.2627000 1.365000 
1 1 1   52   10    4 o   11.180   0.2563   10.740   0.3741   11.610   0.3504 -0.8756000 0.5126000 
1 1 1   52   10    5 o   3.3040   0.6933   2.6840   0.9920   3.9250   0.9689 -1.241000 1.387000 
1 1 1   52   10    6 o   1.8140   0.5989   1.6590   0.7921   1.9700   0.8984 -0.3110000 1.198000 
1 1 1   52   10    7 o   3.8630   0.8981   4.3390   1.1850   3.3860   1.3490 0.9534000 1.796000 
1 1 1   52   10    8 o   4.9560   0.6789   5.2980   0.8126   4.6140   1.0880 0.6835000 1.358000 
1 1 1   52   10    9 o   2.2260   0.6880   1.9170   0.8915   2.5340   1.0480 -0.6170000 1.376000 
1 1 1   52   10   10 o   4.4110   0.7106   3.6660   1.1060   5.1560   0.8921 -1.490000 1.421000 
1 1 1   52   10   11 o   2.2610   0.7073   2.2250   0.9905   2.2970   1.0100 -0.7160000E-01 1.415000 
1 1 1   52   10   12 o   2.3200   0.7533   2.0500   0.9873   2.5910   1.1380 -0.5408000 1.507000 
1 1 1   52   10   13 o   1.8490   0.6278   1.7400   0.8478   1.9580   0.9263 -0.2174000 1.256000 
1 1 1   52   10   14 o   1.8170   0.6207   1.6970   0.8320   1.9380   0.9214 -0.2407000 1.241000 
1 1 1   52   10   15 o   2.1220   0.6875   1.7060   0.8393   2.5390   1.0890 -0.8331000 1.375000 
1 1 1   52   10   16 o   1.8060   0.6277   1.9750   0.9590   1.6370   0.8103 0.3380000 1.255000 
1 1 1   52   12    0 o   2.1840   0.6144   1.9240   0.8467   2.4440   0.8906 -0.5198000 1.229000 
1 1 1   52   12    1 o   8.3710   0.2908   8.2650   0.4297   8.4770   0.3918 -0.2125000 0.5815000 
1 1 1   52   12    2 o   3.2090   0.6747   2.9390   0.9967   3.4780   0.9096 -0.5388000 1.349000 
1 1 1   52   12    3 o   3.3360   0.6434   4.1840   0.8817   2.4880   0.9372 1.696000 1.287000 
1 1 1   52   12    4 o   6.2870   0.4125   6.2060   0.6115   6.3670   0.5536 -0.1609000 0.8249000 
1 1 1   52   12    5 o   6.8930   0.4423   6.2330   0.6302   7.5530   0.6209 -1.319000 0.8846000 
1 1 1   52   12    6 o   8.3290   0.4938   8.1990   0.6739   8.4600   0.7219 -0.2609000 0.9875000 
1 1 1   52   12    7 o   2.2370   0.6889   2.4210   1.0130   2.0540   0.9338 0.3678000 1.378000 
1 1 1   52   12    8 o   3.1960   0.7501   3.7490   1.0670   2.6430   1.0540 1.106000 1.500000 
1 1 1   52   12    9 o   3.8280   0.7562   4.3450   1.0210   3.3100   1.1160 1.035000 1.512000 
1 1 1   52   12   10 o   1.9750   0.6521   1.8860   0.8921   2.0640   0.9514 -0.1782000 1.304000 
1 1 1   52   12   11 o   2.5300   0.7931   2.3130   1.0750   2.7460   1.1660 -0.4332000 1.586000 
1 1 1   52   12   12 o   4.2070   0.7752   3.6720   1.1540   4.7410   1.0350 -1.069000 1.550000 
1 1 1   52   12   13 o   2.3920   0.7020   3.1690   1.1550   1.6150   0.7979 1.554000 1.404000 
1 1 1   52   12   14 o   2.3710   0.7159   1.7770   0.8620   2.9650   1.1430 -1.188000 1.432000 
1 1 1   52   12   15 o   2.2830   0.7359   2.4030   1.0890   2.1620   0.9903 0.2413000 1.472000 
1 1 1   52   14    0 o   3.6520   0.6261   3.4400   0.9552   3.8630   0.8096 -0.4233000 1.252000 
1 1 1   52   14    1 o   1.9650   0.6121   2.2630   0.9427   1.6670   0.7811 0.5963000 1.224000 
1 1 1   52   14    2 o   2.2730   0.6533   1.9560   0.8780   2.5900   0.9677 -0.6348000 1.307000 
1 1 1   52   14    3 o   3.1560   0.7219   3.4500   1.0180   2.8620   1.0230 0.5878000 1.444000 
1 1 1   52   14    4 o   5.6870   0.6508   5.7280   0.9116   5.6460   0.9290 0.8181000E-01 1.302000 
1 1 1   52   14    5 o   8.6860   0.4057   8.3220   0.6753   9.0500   0.4499 -0.7274000 0.8114000 
1 1 1   52   14    6 o   2.4600   0.7239   2.4060   1.0160   2.5130   1.0310 -0.1067000 1.448000 
1 1 1   52   14    7 o   2.3920   0.7189   2.4730   1.0310   2.3110   1.0020 0.1618000 1.438000 
1 1 1   52   14    8 o   2.7430   0.7557   2.3490   1.0160   3.1370   1.1190 -0.7877000 1.511000 
1 1 1   52   14    9 o   2.7650   0.7949   2.8370   1.1040   2.6920   1.1440 0.1448000 1.590000 
1 1 1   52   14   10 o   2.5640   0.7996   2.7310   1.1820   2.3970   1.0770 0.3337000 1.599000 
1 1 1   52   14   11 o   2.0960   0.6804   2.1710   0.9863   2.0210   0.9376 0.1498000 1.361000 
1 1 1   52   14   12 o   2.2230   0.7086   2.2830   1.0170   2.1640   0.9871 0.1183000 1.417000 
1 1 1   52   14   13 o   3.1070   0.8201   2.7030   1.1500   3.5110   1.1700 -0.8087000 1.640000 
1 1 1   52   14   14 o   2.1440   0.7516   2.0060   1.0010   2.2820   1.1220 -0.2761000 1.503000 
1 1 1   52   16    0 o   6.8820   0.3816   7.4530   0.5311   6.3110   0.5482 1.142000 0.7633000 
1 1 1   52   16    1 o   2.4450   0.6907   2.7380   1.0220   2.1520   0.9299 0.5857000 1.381000 
1 1 1   52   16    2 o   3.5560   0.7855   2.9630   1.1460   4.1480   1.0750 -1.185000 1.571000 
1 1 1   52   16    3 o   4.6450   0.6854   5.2050   1.0100   4.0840   0.9270 1.121000 1.371000 
1 1 1   52   16    4 o   3.1310   0.7377   2.8100   1.0550   3.4520   1.0310 -0.6420000 1.475000 
1 1 1   52   16    5 o   3.7320   0.7590   3.8020   1.0730   3.6630   1.0740 0.1388000 1.518000 
1 1 1   52   16    6 o   2.7120   0.7362   2.2360   0.9904   3.1870   1.0900 -0.9509000 1.472000 
1 1 1   52   16    7 o   1.7510   0.5946   1.7350   0.8402   1.7680   0.8417 -0.3288000E-01 1.189000 
1 1 1   52   16    8 f   2.2420   0.7362   2.0770   0.9965   2.4070   1.0840 -0.3305000 1.472000 
1 1 1   52   16    9 o   5.0190   0.6982   4.4330   1.0910   5.6060   0.8717 -1.173000 1.396000 
1 1 1   52   16   10 o   2.4830   0.7527   2.5590   1.0860   2.4080   1.0430 0.1509000 1.505000 
1 1 1   52   16   11 o   1.9870   0.6649   1.9870   0.9510   1.9870   0.9297 0.2893000E-03 1.330000 
1 1 1   52   16   12 o   2.8260   1.2980   2.8260   1.2980  ?   ?       ?      ? 
1 1 1   52   18    0 o   2.8180   0.7879   3.0620   1.1650   2.5740   1.0620 0.4881000 1.576000 
1 1 1   52   18    1 o   2.4420   0.7033   2.2720   0.9777   2.6120   1.0110 -0.3398000 1.407000 
1 1 1   52   18    2 o   6.2410   0.4762   6.6340   0.6611   5.8480   0.6855 0.7860000 0.9523000 
1 1 1   52   18    3 o   3.9050   0.7005   4.8110   0.9149   3.0000   1.0610 1.811000 1.401000 
1 1 1   52   18    4 o   3.6020   0.7327   3.0310   1.0990   4.1740   0.9691 -1.143000 1.465000 
1 1 1   52   18    5 o   2.3080   0.7038   2.2090   0.9849   2.4080   1.0060 -0.1988000 1.408000 
1 1 1   52   18    6 o   2.5030   0.7836   2.8810   1.2160   2.1240   0.9886 0.7571000 1.567000 
1 1 1   52   18    7 o   2.2310   0.7021   2.4390   1.0480   2.0240   0.9348 0.4155000 1.404000 
1 1 1   52   18    8 o   2.5000   0.7602   2.7480   1.1540   2.2530   0.9898 0.4948000 1.520000 
1 1 1   52   18    9 o   2.4160   0.7569   2.3810   1.0800   2.4510   1.0610 -0.7014000E-01 1.514000 
1 1 1   52   20    0 o   2.7280   0.7376   2.9960   1.0960   2.4600   0.9878 0.5355000 1.475000 
1 1 1   52   20    1 o   3.5990   0.7106   4.5640   0.9849   2.6330   1.0250 1.931000 1.421000 
1 1 1   52   20    2 o   2.2120   0.6581   1.6050   0.7886   2.8200   1.0540 -1.215000 1.316000 
1 1 1   52   20    3 o   2.0600   0.6905   2.1610   1.0220   1.9600   0.9284 0.2010000 1.381000 
1 1 1   52   20    4 o   2.4970   0.7829   3.0950   1.2530   1.8980   0.9397 1.197000 1.566000 
1 1 1   52   20    5 o   2.4860   0.7592   2.6470   1.1170   2.3250   1.0280 0.3223000 1.518000 
1 1 1   53    1    0 o   11.740   0.3163   11.580   0.3670   11.890   0.5153 -0.3099000 0.6326000 
1 1 1   53    1    1 o   8.6940   0.3185   9.0720   0.3644   8.3170   0.5224 0.7555000 0.6369000 
1 1 1   53    1    2 o   3.2570   0.6696   3.2030   0.9435   3.3110   0.9506 -0.1076000 1.339000 
1 1 1   53    1    3 o   5.7960   0.4299   6.2750   0.5721   5.3170   0.6418 0.9580000 0.8598000 
1 1 1   53    1    4 o   5.1840   0.5005   5.4890   0.6786   4.8790   0.7359 0.6099000 1.001000 
1 1 1   53    1    5 o   4.3590   0.6134   4.1590   0.9259   4.5580   0.8047 -0.3992000 1.227000 
1 1 1   53    1    6 o   2.7120   0.6943   2.2070   0.9420   3.2170   1.0200 -1.010000 1.389000 
1 1 1   53    1    7 o   3.4830   0.7171   3.8280   0.9985   3.1370   1.0300 0.6917000 1.434000 
1 1 1   53    1    8 o   3.8510   0.8062   3.8790   1.1340   3.8220   1.1460 0.5734000E-01 1.612000 
1 1 1   53    1    9 o   3.2150   0.7507   3.7360   1.0680   2.6950   1.0550 1.042000 1.501000 
1 1 1   53    1   10 o   3.0740   0.7706   2.8450   1.0820   3.3020   1.0980 -0.4568000 1.541000 
1 1 1   53    1   11 o   7.6360   0.4294   7.4610   0.6262   7.8110   0.5878 -0.3499000 0.8588000 
1 1 1   53    1   12 o   2.8760   0.8423   3.1730   1.2430   2.5780   1.1370 0.5950000 1.685000 
1 1 1   53    1   13 o   3.8390   0.9087   3.5640   1.2920   4.1140   1.2780 -0.5498000 1.817000 
1 1 1   53    1   14 o   2.4140   0.7149   3.0750   1.1480   1.7520   0.8518 1.323000 1.430000 
1 1 1   53    1   15 o   2.3060   0.7255   2.1890   0.9958   2.4230   1.0550 -0.2337000 1.451000 
1 1 1   53    1   16 f   2.4670   0.7500   2.7440   1.1170   2.1900   1.0010 0.5542000 1.500000 
1 1 1   53    1   17 o   1.9040   0.6433   2.1830   1.0030   1.6260   0.8061 0.5571000 1.287000 
1 1 1   53    1   18 o   2.3610   0.7428   2.2690   1.0290   2.4540   1.0720 -0.1849000 1.486000 
1 1 1   53    3    0 o   9.5590   0.2506   8.8650   0.3931   10.250   0.3109 -1.388000 0.5012000 
1 1 1   53    3    1 o   6.1540   0.6191   5.6860   1.0810   6.6210   0.6043 -0.9356000 1.238000 
1 1 1   53    3    2 f   8.0200   0.3217   8.1380   0.4879   7.9030   0.4193 0.2350000 0.6434000 
1 1 1   53    3    3 o   2.8850   0.7103   2.7270   1.0420   3.0420   0.9654 -0.3159000 1.421000 
1 1 1   53    3    4 o   3.2600   0.7013   2.7050   1.0710   3.8140   0.9053 -1.109000 1.403000 
1 1 1   53    3    5 o   6.2400   0.4968   5.5640   0.8408   6.9160   0.5297 -1.352000 0.9937000 
1 1 1   53    3    6 o   4.0150   0.6727   4.1490   0.9410   3.8820   0.9616 0.2665000 1.345000 
1 1 1   53    3    7 o   3.0080   0.7172   2.3400   1.0140   3.6760   1.0140 -1.335000 1.434000 
1 1 1   53    3    8 o   4.0320   0.7695   3.9790   1.0310   4.0850   1.1430 -0.1058000 1.539000 
1 1 1   53    3    9 o   5.5890   0.5586   5.8820   0.7561   5.2960   0.8224 0.5859000 1.117000 
1 1 1   53    3   10 o   4.1380   0.7355   4.1710   1.0360   4.1050   1.0440 0.6580000E-01 1.471000 
1 1 1   53    3   11 o   5.2880   0.6350   5.9770   0.7694   4.5990   1.0100 1.377000 1.270000 
1 1 1   53    3   12 o   3.1460   0.8691   3.2430   1.2400   3.0500   1.2180 0.1931000 1.738000 
1 1 1   53    3   13 o   3.0270   0.8416   3.8270   1.3210   2.2270   1.0430 1.600000 1.683000 
1 1 1   53    3   14 o   2.0770   0.6788   2.2790   1.0220   1.8750   0.8938 0.4043000 1.358000 
1 1 1   53    3   15 o   2.2170   0.7105   2.3280   1.0350   2.1050   0.9734 0.2231000 1.421000 
1 1 1   53    3   16 f   2.4880   0.7447   3.0040   1.1610   1.9720   0.9333 1.032000 1.489000 
1 1 1   53    3   17 o   3.3190   0.8419   3.4780   1.1920   3.1590   1.1890 0.3184000 1.684000 
1 1 1   53    3   18 o   3.2020   0.8319   2.8610   1.1520   3.5440   1.2000 -0.6839000 1.664000 
1 1 1   53    5    0 o   2.6830   0.6269   3.4300   0.9423   1.9360   0.8271 1.494000 1.254000 
1 1 1   53    5    1 o   2.8200   0.7826   2.6000   1.1720   3.0390   1.0380 -0.4394000 1.565000 
1 1 1   53    5    2 f   3.0420   0.7169   3.3170   1.0820   2.7670   0.9408 0.5494000 1.434000 
1 1 1   53    5    3 o   6.1300   0.4604   6.2200   0.7298   6.0390   0.5615 0.1815000 0.9208000 
1 1 1   53    5    4 o   6.3050   0.4572   6.4190   0.7181   6.1920   0.5660 0.2267000 0.9143000 
1 1 1   53    5    5 o   2.1680   0.6763   2.4640   1.0540   1.8720   0.8480 0.5924000 1.353000 
1 1 1   53    5    6 o   2.8880   0.7596   2.4500   1.1040   3.3270   1.0440 -0.8767000 1.519000 
1 1 1   53    5    7 o   6.0540   0.5880   4.9750   1.0260   7.1330   0.5748 -2.158000 1.176000 
1 1 1   53    5    8 o   3.2880   0.8093   3.9020   1.1720   2.6740   1.1160 1.229000 1.619000 
1 1 1   53    5    9 o   2.4610   0.7497   2.6370   1.1260   2.2840   0.9899 0.3528000 1.499000 
1 1 1   53    5   10 o   2.3100   0.7295   2.6780   1.1450   1.9410   0.9047 0.7369000 1.459000 
1 1 1   53    5   11 f   3.2750   0.8711   3.1730   1.2420   3.3760   1.2210 -0.2032000 1.742000 
1 1 1   53    5   12 o   3.6870   0.7451   2.6550   1.0990   4.7190   1.0060 -2.064000 1.490000 
1 1 1   53    5   13 o   2.0570   0.6999   2.0950   1.0090   2.0190   0.9702 0.7655000E-01 1.400000 
1 1 1   53    5   14 o   2.6930   0.7745   3.0560   1.1560   2.3310   1.0310 0.7243000 1.549000 
1 1 1   53    5   15 o   3.2630   0.8342   3.2710   1.1840   3.2560   1.1750 0.1502000E-01 1.668000 
1 1 1   53    5   16 o   2.3220   0.7308   2.5310   1.0850   2.1140   0.9794 0.4171000 1.462000 
1 1 1   53    5   17 o   2.3030   0.7246   1.9480   0.9279   2.6580   1.1130 -0.7095000 1.449000 
1 1 1   53    5   18 o   2.1710   0.6930   2.8130   1.1550   1.5290   0.7663 1.284000 1.386000 
1 1 1   53    7    0 o   2.6780   0.7908   3.1530   1.3060   2.2020   0.8923 0.9512000 1.582000 
1 1 1   53    7    1 o   7.5600   0.3447   7.6190   0.5442   7.5010   0.4233 0.1180000 0.6895000 
1 1 1   53    7    2 o   5.7730   0.3943   5.2980   0.5891   6.2470   0.5242 -0.9492000 0.7886000 
1 1 1   53    7    3 o   4.3300   0.5499   4.4550   0.7440   4.2060   0.8100 0.2488000 1.100000 
1 1 1   53    7    4 o   2.8340   0.6567   3.6510   0.9726   2.0170   0.8827 1.634000 1.313000 
1 1 1   53    7    5 o   1.9500   0.6036   2.3670   0.9531   1.5320   0.7409 0.8354000 1.207000 
1 1 1   53    7    6 o   3.1480   0.7241   3.3180   1.0030   2.9780   1.0450 0.3405000 1.448000 
1 1 1   53    7    7 o   2.4380   0.6731   3.0340   1.0360   1.8430   0.8595 1.192000 1.346000 
1 1 1   53    7    8 o   2.8600   0.8044   2.3690   1.0670   3.3500   1.2040 -0.9809000 1.609000 
1 1 1   53    7    9 o   2.3410   0.7102   2.1600   0.9634   2.5220   1.0440 -0.3624000 1.420000 
1 1 1   53    7   10 o   3.8040   0.8144   3.7800   1.0870   3.8270   1.2130 -0.4633000E-01 1.629000 
1 1 1   53    7   11 o   4.6790   0.7013   4.6660   0.9773   4.6920   1.0060 -0.2596000E-01 1.403000 
1 1 1   53    7   12 o   2.0330   0.6910   2.1050   1.0050   1.9610   0.9487 0.1447000 1.382000 
1 1 1   53    7   13 f   2.2140   0.7088   2.1690   0.9924   2.2590   1.0120 -0.8975000E-01 1.418000 
1 1 1   53    7   14 o   1.9950   0.6604   1.8380   0.8842   2.1530   0.9812 -0.3147000 1.321000 
1 1 1   53    7   15 o   2.3510   0.7260   1.9220   0.9207   2.7790   1.1230 -0.8573000 1.452000 
1 1 1   53    7   16 o   2.6150   0.7882   2.6430   1.1320   2.5880   1.0970 0.5467000E-01 1.576000 
1 1 1   53    7   17 o   2.1660   0.7024   1.8050   0.8836   2.5280   1.0920 -0.7226000 1.405000 
1 1 1   53    9    0 o   9.1900   0.2353   9.3660   0.3370   9.0150   0.3285 0.3506000 0.4706000 
1 1 1   53    9    1 f   4.6600   0.4978   4.8420   0.6885   4.4780   0.7193 0.3645000 0.9957000 
1 1 1   53    9    2 o   9.0250   0.2922   9.2490   0.4220   8.8020   0.4042 0.4467000 0.5843000 
1 1 1   53    9    3 o   3.0530   0.6863   3.1990   0.9700   2.9070   0.9711 0.2919000 1.373000 
1 1 1   53    9    4 o   5.7080   0.4544   5.9930   0.6115   5.4230   0.6723 0.5700000 0.9088000 
1 1 1   53    9    5 o   7.8770   0.3487   7.4970   0.5005   8.2570   0.4857 -0.7605000 0.6974000 
1 1 1   53    9    6 o   1.8090   0.5969   1.7590   0.8228   1.8600   0.8649 -0.1008000 1.194000 
1 1 1   53    9    7 o   2.6320   0.7846   2.7530   1.1290   2.5120   1.0900 0.2409000 1.569000 
1 1 1   53    9    8 o   3.6160   0.8467   3.6820   1.2120   3.5510   1.1830 0.1312000 1.693000 
1 1 1   53    9    9 o   3.7460   0.7605   3.7040   1.0660   3.7880   1.0850 -0.8418000E-01 1.521000 
1 1 1   53    9   10 o   2.6310   0.7376   3.0990   1.1080   2.1640   0.9743 0.9351000 1.475000 
1 1 1   53    9   11 o   3.4360   0.7796   2.7710   1.1110   4.1020   1.0940 -1.331000 1.559000 
1 1 1   53    9   12 o   3.8210   0.8828   4.5570   1.2750   3.0840   1.2210 1.473000 1.766000 
1 1 1   53    9   13 o   2.5250   0.7639   2.5100   1.0790   2.5400   1.0820 -0.3027000E-01 1.528000 
1 1 1   53    9   14 o   3.0260   0.8180   3.2080   1.1790   2.8430   1.1340 0.3646000 1.636000 
1 1 1   53    9   15 o   1.9230   0.6502   1.9650   0.9356   1.8800   0.9032 0.8455000E-01 1.300000 
1 1 1   53    9   16 o   1.6440   0.5771   1.6720   0.8289   1.6170   0.8032 0.5454000E-01 1.154000 
1 1 1   53   11    0 o   4.2420   0.5160   4.3930   0.7289   4.0910   0.7305 0.3017000 1.032000 
1 1 1   53   11    1 o   7.6950   0.3056   7.7240   0.4472   7.6660   0.4168 0.5740000E-01 0.6113000 
1 1 1   53   11    2 o   7.4610   0.3191   7.9150   0.4484   7.0070   0.4542 0.9087000 0.6382000 
1 1 1   53   11    3 o   3.2220   0.6721   3.4670   0.9714   2.9780   0.9291 0.4893000 1.344000 
1 1 1   53   11    4 o   5.9760   0.4410   6.2530   0.5971   5.6990   0.6493 0.5545000 0.8821000 
1 1 1   53   11    5 o   7.5090   0.3803   7.5550   0.5183   7.4640   0.5566 0.9150000E-01 0.7605000 
1 1 1   53   11    6 o   4.4520   0.8950   4.3970   1.1640   4.5070   1.3600 -0.1102000 1.790000 
1 1 1   53   11    7 o   4.9200   0.7104   5.4320   1.0200   4.4070   0.9894 1.026000 1.421000 
1 1 1   53   11    8 o   6.4880   0.4892   6.3260   0.7083   6.6500   0.6750 -0.3238000 0.9784000 
1 1 1   53   11    9 o   4.2490   0.7012   3.1840   1.1070   5.3150   0.8606 -2.131000 1.402000 
1 1 1   53   11   10 o   3.8820   0.7868   3.9800   1.0920   3.7840   1.1330 0.1955000 1.574000 
1 1 1   53   11   11 o   2.7710   0.8241   2.4340   1.1060   3.1080   1.2220 -0.6743000 1.648000 
1 1 1   53   11   12 o   2.3390   0.7259   2.4540   1.0510   2.2240   1.0010 0.2302000 1.452000 
1 1 1   53   11   13 o   2.5050   0.7494   2.2250   1.0000   2.7840   1.1160 -0.5593000 1.499000 
1 1 1   53   11   14 o   2.4360   0.7450   2.2830   1.0200   2.5890   1.0860 -0.3057000 1.490000 
1 1 1   53   11   15 o   2.2280   0.7154   2.8720   1.1960   1.5840   0.7859 1.288000 1.431000 
1 1 1   53   13    0 o   5.8740   0.3947   6.0650   0.5784   5.6830   0.5372 0.3817000 0.7894000 
1 1 1   53   13    1 o   8.4850   0.2947   8.1770   0.4509   8.7930   0.3795 -0.6159000 0.5893000 
1 1 1   53   13    2 o   2.9080   0.6810   2.6180   0.9841   3.1980   0.9416 -0.5798000 1.362000 
1 1 1   53   13    3 o   5.4620   0.5223   6.4800   0.5799   4.4440   0.8689 2.036000 1.045000 
1 1 1   53   13    4 o   3.1570   0.7348   2.9580   1.0280   3.3560   1.0510 -0.3980000 1.470000 
1 1 1   53   13    5 o   8.5200   0.4745   8.4320   0.6533   8.6090   0.6884 -0.1777000 0.9490000 
1 1 1   53   13    6 o   2.5860   0.7243   2.9030   1.0620   2.2690   0.9857 0.6342000 1.449000 
1 1 1   53   13    7 o   2.5980   0.7308   2.9760   1.0870   2.2200   0.9768 0.7557000 1.462000 
1 1 1   53   13    8 o   1.7300   0.5886   1.5470   0.7633   1.9130   0.8963 -0.3661000 1.177000 
1 1 1   53   13    9 o   2.6410   0.7545   2.9020   1.1020   2.3800   1.0310 0.5215000 1.509000 
1 1 1   53   13   10 o   1.8980   0.6533   1.9400   0.9411   1.8560   0.9063 0.8438000E-01 1.307000 
1 1 1   53   13   11 o   2.6550   0.7679   2.4530   1.0510   2.8580   1.1190 -0.4048000 1.536000 
1 1 1   53   13   12 o   2.9820   0.8105   2.9180   1.1350   3.0470   1.1570 -0.1281000 1.621000 
1 1 1   53   13   13 o   1.7750   0.6097   1.7670   0.8598   1.7830   0.8646 -0.1611000E-01 1.219000 
1 1 1   53   13   14 o   2.1380   0.6976   1.8160   0.8946   2.4600   1.0710 -0.6440000 1.395000 
1 1 1   53   15    0 o   4.0650   0.6134   4.5830   0.8044   3.5460   0.9262 1.037000 1.227000 
1 1 1   53   15    1 o   6.1070   0.4214   6.5230   0.5871   5.6900   0.6047 0.8324000 0.8428000 
1 1 1   53   15    2 o   2.0540   0.6401   1.8940   0.8691   2.2150   0.9399 -0.3207000 1.280000 
1 1 1   53   15    3 o   2.0280   0.6657   1.8830   0.9001   2.1730   0.9810 -0.2901000 1.331000 
1 1 1   53   15    4 o   2.4530   0.7348   2.8850   1.1500   2.0220   0.9145 0.8622000 1.470000 
1 1 1   53   15    5 o   2.5700   0.7259   2.8840   1.0730   2.2570   0.9780 0.6270000 1.452000 
1 1 1   53   15    6 o   2.6060   0.7319   2.4640   1.0330   2.7470   1.0370 -0.2839000 1.464000 
1 1 1   53   15    7 o   2.8040   0.7210   1.9670   0.9157   3.6410   1.1140 -1.674000 1.442000 
1 1 1   53   15    8 o   2.4650   0.7402   2.4330   1.0380   2.4960   1.0550 -0.6252000E-01 1.480000 
1 1 1   53   15    9 o   4.3700   0.8786   3.8150   1.3170   4.9250   1.1630 -1.110000 1.757000 
1 1 1   53   15   10 o   1.8900   0.6337   1.6620   0.8161   2.1180   0.9696 -0.4562000 1.267000 
1 1 1   53   15   11 o   2.6700   0.7755   2.8300   1.1210   2.5110   1.0710 0.3182000 1.551000 
1 1 1   53   15   12 o   2.7160   0.7755   2.1670   1.0160   3.2640   1.1720 -1.097000 1.551000 
1 1 1   53   17    0 o   1.9510   0.6374   1.8310   0.8547   2.0700   0.9457 -0.2388000 1.275000 
1 1 1   53   17    1 o   2.5610   0.7537   2.9030   1.1370   2.2180   0.9896 0.6854000 1.507000 
1 1 1   53   17    2 o   4.8660   0.6657   5.0800   1.0190   4.6530   0.8563 0.4275000 1.331000 
1 1 1   53   17    3 o   3.7030   0.7720   3.4430   1.0560   3.9630   1.1270 -0.5197000 1.544000 
1 1 1   53   17    4 f   2.1230   0.6689   2.2300   0.9817   2.0170   0.9088 0.2134000 1.338000 
1 1 1   53   17    5 o   2.9290   0.7665   2.8690   1.0980   2.9890   1.0700 -0.1204000 1.533000 
1 1 1   53   17    6 o   2.4440   0.7245   2.0930   0.9573   2.7940   1.0880 -0.7009000 1.449000 
1 1 1   53   17    7 o   2.4560   0.7606   2.1680   1.0280   2.7430   1.1210 -0.5748000 1.521000 
1 1 1   53   17    8 o   1.8800   0.6227   1.6000   0.7902   2.1610   0.9626 -0.5607000 1.245000 
1 1 1   53   17    9 o   2.3010   0.7177   2.7370   1.1020   1.8660   0.9197 0.8711000 1.435000 
1 1 1   53   17   10 o   2.3930   1.1660   2.3930   1.1660  ?   ?       ?      ? 
1 1 1   53   19    0 o   2.2500   0.6675   1.8830   0.8793   2.6180   1.0040 -0.7354000 1.335000 
1 1 1   53   19    1 o   2.3650   0.7029   2.5320   1.0390   2.1990   0.9471 0.3332000 1.406000 
1 1 1   53   19    2 o   3.2890   0.7538   2.8580   1.0960   3.7190   1.0350 -0.8615000 1.508000 
1 1 1   53   19    3 o   2.5340   0.7351   2.6350   1.0670   2.4330   1.0120 0.2026000 1.470000 
1 1 1   53   19    4 o   2.2840   0.7005   2.1590   0.9670   2.4100   1.0140 -0.2514000 1.401000 
1 1 1   53   19    5 o   1.9090   0.6500   1.7960   0.8859   2.0220   0.9513 -0.2266000 1.300000 
1 1 1   53   19    6 o   2.7670   0.7469   2.2400   1.0230   3.2930   1.0880 -1.052000 1.494000 
1 1 1   53   21    0 o   3.7730   0.7142   3.1190   1.0950   4.4260   0.9171 -1.306000 1.428000 
1 1 1   53   21    1 o   3.4930   0.8545   2.6320   1.1660   4.3540   1.2490 -1.721000 1.709000 
1 1 1   54    0    0 o   11.260   0.5303   11.260   0.5303   11.260   0.5303 0.000000 0.000000 
1 1 1   54    0    1 o   11.100   0.3092   11.100   0.3092   11.100   0.3092 0.000000 0.000000 
1 1 1   54    0    2 o   1.8340   1.0640   1.8340   1.0640   1.8340   1.0640 0.000000 0.000000 
1 1 1   54    0    3 o   4.3150   0.9169   4.3150   0.9169   4.3150   0.9169 0.000000 0.000000 
1 1 1   54    0    4 o   14.760   0.3004   14.760   0.3004   14.760   0.3004 0.000000 0.000000 
1 1 1   54    0    5 o   7.1580   0.5295   7.1580   0.5295   7.1580   0.5295 0.000000 0.000000 
1 1 1   54    0    6 o   1.6960   1.0580   1.6960   1.0580   1.6960   1.0580 0.000000 0.000000 
1 1 1   54    0    7 o   1.6430   1.0450   1.6430   1.0450   1.6430   1.0450 0.000000 0.000000 
1 1 1   54    0    8 o   6.7110   0.7556   6.7110   0.7556   6.7110   0.7556 0.000000 0.000000 
1 1 1   54    0    9 o   7.5920   0.5816   7.5920   0.5816   7.5920   0.5816 0.000000 0.000000 
1 1 1   54    0   10 o   4.7020   1.0600   4.7020   1.0600   4.7020   1.0600 0.000000 0.000000 
1 1 1   54    0   11 o   5.3500   0.9277   5.3500   0.9277   5.3500   0.9277 0.000000 0.000000 
1 1 1   54    0   12 o   2.9770   1.7190   2.9770   1.7190   2.9770   1.7190 0.000000 0.000000 
1 1 1   54    0   13 o   2.4410   1.3370   2.4410   1.3370   2.4410   1.3370 0.000000 0.000000 
1 1 1   54    0   14 o   1.3980   0.9700   1.3980   0.9700   1.3980   0.9700 0.000000 0.000000 
1 1 1   54    0   15 o   1.9040   1.1990   1.9040   1.1990   1.9040   1.1990 0.000000 0.000000 
1 1 1   54    0   16 o   2.2170   1.2990   2.2170   1.2990   2.2170   1.2990 0.000000 0.000000 
1 1 1   54    0   17 o   1.4250   0.9898   1.4250   0.9898   1.4250   0.9898 0.000000 0.000000 
1 1 1   54    0   18 o   1.1360   0.8218   1.1360   0.8218   1.1360   0.8218 0.000000 0.000000 
1 1 1   54    2    0 o   8.0310   0.2972   7.8520   0.4396   8.2090   0.4001 -0.3565000 0.5944000 
1 1 1   54    2    1 o   4.5730   0.6975   6.3780   0.9442   2.7690   1.0270 3.609000 1.395000 
1 1 1   54    2    2 o   4.5280   0.5270   3.7860   0.8554   5.2700   0.6157 -1.484000 1.054000 
1 1 1   54    2    3 o   3.2090   0.6713   3.4360   0.9427   2.9820   0.9561 0.4541000 1.343000 
1 1 1   54    2    4 o   3.4280   0.6744   3.8060   0.9273   3.0490   0.9795 0.7563000 1.349000 
1 1 1   54    2    5 o   4.9990   0.5499   4.3670   0.8968   5.6310   0.6365 -1.264000 1.100000 
1 1 1   54    2    6 o   2.8980   0.7284   3.0660   1.0440   2.7310   1.0160 0.3352000 1.457000 
1 1 1   54    2    7 o   6.1100   0.5009   6.2700   0.7435   5.9490   0.6715 0.3213000 1.002000 
1 1 1   54    2    8 o   2.5390   0.7288   2.8740   1.0620   2.2050   0.9981 0.6692000 1.458000 
1 1 1   54    2    9 o   2.7690   0.7518   2.7980   1.0680   2.7410   1.0590 0.5638000E-01 1.504000 
1 1 1   54    2   10 o   2.7120   0.7325   2.2280   0.9796   3.1970   1.0890 -0.9690000 1.465000 
1 1 1   54    2   11 o   2.5670   0.7482   2.4690   1.0420   2.6650   1.0740 -0.1961000 1.496000 
1 1 1   54    2   12 o   2.2930   0.7486   2.2440   1.0440   2.3420   1.0730 -0.9818000E-01 1.497000 
1 1 1   54    2   13 o   2.5860   0.8072   2.4350   1.1100   2.7370   1.1720 -0.3024000 1.614000 
1 1 1   54    2   14 o   1.8570   0.6297   1.8960   0.9056   1.8180   0.8752 0.7726000E-01 1.259000 
1 1 1   54    2   15 o   2.2500   0.7169   2.3490   1.0440   2.1500   0.9831 0.1995000 1.434000 
1 1 1   54    2   16 o   2.1160   0.6900   2.4030   1.0600   1.8290   0.8840 0.5735000 1.380000 
1 1 1   54    2   17 o   2.6260   0.7644   3.1430   1.1740   2.1100   0.9797 1.033000 1.529000 
1 1 1   54    2   18 f   1.8630   0.6355   1.8000   0.8780   1.9250   0.9190 -0.1250000 1.271000 
1 1 1   54    4    0 o   8.7990   0.2739   8.7380   0.4183   8.8600   0.3538 -0.1225000 0.5479000 
1 1 1   54    4    1 o   5.0290   0.7291   4.6090   1.2660   5.4500   0.7245 -0.8409000 1.458000 
1 1 1   54    4    2 o   4.7700   0.5400   4.7850   0.8402   4.7540   0.6785 0.3077000E-01 1.080000 
1 1 1   54    4    3 o   7.3990   0.3751   7.6160   0.5762   7.1820   0.4802 0.4333000 0.7501000 
1 1 1   54    4    4 o   2.7050   0.7185   2.5730   1.0490   2.8360   0.9816 -0.2629000 1.437000 
1 1 1   54    4    5 o   4.7820   0.6143   4.4350   1.0010   5.1280   0.7123 -0.6936000 1.229000 
1 1 1   54    4    6 o   2.9110   0.7747   2.7230   1.1550   3.0980   1.0330 -0.3750000 1.549000 
1 1 1   54    4    7 o   6.3060   0.5292   5.9550   0.8691   6.6570   0.6039 -0.7028000 1.058000 
1 1 1   54    4    8 o   3.0660   0.7679   2.3570   0.9988   3.7760   1.1670 -1.420000 1.536000 
1 1 1   54    4    9 o   2.5880   0.7422   2.5560   1.0470   2.6190   1.0520 -0.6310000E-01 1.484000 
1 1 1   54    4   10 o   2.7930   0.7647   2.9270   1.1020   2.6590   1.0600 0.2680000 1.529000 
1 1 1   54    4   11 o   2.1860   0.7216   2.1390   1.0110   2.2340   1.0290 -0.9491000E-01 1.443000 
1 1 1   54    4   12 o   2.0680   0.6741   2.1230   0.9703   2.0130   0.9361 0.1097000 1.348000 
1 1 1   54    4   13 o   3.9940   0.8835   4.9060   1.2640   3.0810   1.2350 1.825000 1.767000 
1 1 1   54    4   14 o   2.9230   0.8117   3.0350   1.1640   2.8100   1.1310 0.2250000 1.623000 
1 1 1   54    4   15 o   2.5370   0.7655   2.2430   1.0200   2.8310   1.1420 -0.5880000 1.531000 
1 1 1   54    4   16 o   4.1820   0.8155   4.2360   1.1450   4.1270   1.1620 0.1094000 1.631000 
1 1 1   54    4   17 f   1.7500   0.6048   1.5190   0.7625   1.9810   0.9389 -0.4621000 1.210000 
1 1 1   54    6    0 o   2.1410   0.6266   1.9760   0.8700   2.3060   0.9019 -0.3309000 1.253000 
1 1 1   54    6    1 o   5.6990   0.7126   5.7580   1.3100   5.6390   0.5623 0.1188000 1.425000 
1 1 1   54    6    2 o   2.1650   0.6544   2.5200   1.0220   1.8100   0.8180 0.7109000 1.309000 
1 1 1   54    6    3 o   7.8630   0.3661   8.1620   0.5626   7.5640   0.4684 0.5978000 0.7321000 
1 1 1   54    6    4 o   4.2760   0.6794   3.8780   1.1180   4.6740   0.7726 -0.7964000 1.359000 
1 1 1   54    6    5 o   3.1630   0.8083   3.5980   1.2780   2.7270   0.9896 0.8710000 1.617000 
1 1 1   54    6    6 o   5.8130   0.5621   6.8930   0.7309   4.7330   0.8541 2.160000 1.124000 
1 1 1   54    6    7 o   4.1250   0.7311   3.4830   1.1830   4.7680   0.8594 -1.285000 1.462000 
1 1 1   54    6    8 o   2.3760   0.7361   1.9470   0.9302   2.8050   1.1410 -0.8572000 1.472000 
1 1 1   54    6    9 o   2.2310   0.7116   2.3710   1.0660   2.0900   0.9433 0.2808000 1.423000 
1 1 1   54    6   10 o   2.1830   0.7084   1.9000   0.9177   2.4650   1.0790 -0.5648000 1.417000 
1 1 1   54    6   11 f   2.6530   0.7913   2.8880   1.1940   2.4180   1.0390 0.4703000 1.583000 
1 1 1   54    6   12 o   3.7890   0.9855   3.2670   1.5020   4.3110   1.2760 -1.045000 1.971000 
1 1 1   54    6   13 o   2.2690   0.7217   2.2270   1.0160   2.3100   1.0250 -0.8382000E-01 1.443000 
1 1 1   54    6   14 o   2.9060   0.8045   2.6660   1.1170   3.1460   1.1580 -0.4806000 1.609000 
1 1 1   54    6   15 o   2.0980   0.6905   2.2050   1.0130   1.9910   0.9387 0.2142000 1.381000 
1 1 1   54    6   16 o   2.1270   0.6938   1.8760   0.9049   2.3790   1.0520 -0.5031000 1.388000 
1 1 1   54    6   17 o   2.6720   0.7859   2.3750   1.0580   2.9690   1.1620 -0.5944000 1.572000 
1 1 1   54    8    0 o   3.5230   0.6399   3.0370   1.0100   4.0100   0.7862 -0.9729000 1.280000 
1 1 1   54    8    1 o   8.1560   0.2641   7.9580   0.3911   8.3540   0.3550 -0.3966000 0.5282000 
1 1 1   54    8    2 o   5.2990   0.4587   5.5160   0.6441   5.0820   0.6534 0.4334000 0.9175000 
1 1 1   54    8    3 o   7.7350   0.3380   7.4600   0.5121   8.0100   0.4414 -0.5498000 0.6761000 
1 1 1   54    8    4 o   6.0930   0.4210   5.8010   0.6215   6.3860   0.5682 -0.5847000 0.8421000 
1 1 1   54    8    5 o   6.2080   0.4261   5.8200   0.6376   6.5960   0.5655 -0.7756000 0.8522000 
1 1 1   54    8    6 o   2.1350   0.6583   2.1100   0.9189   2.1590   0.9430 -0.4891000E-01 1.317000 
1 1 1   54    8    7 o   4.1800   0.7412   4.3980   0.8862   3.9610   1.1880 0.4370000 1.482000 
1 1 1   54    8    8 o   3.0060   0.8254   2.3870   1.0750   3.6240   1.2530 -1.238000 1.651000 
1 1 1   54    8    9 o   4.7390   0.7250   5.1820   0.8665   4.2950   1.1630 0.8867000 1.450000 
1 1 1   54    8   10 o   2.1370   0.6829   2.1350   0.9621   2.1390   0.9694 -0.4498000E-02 1.366000 
1 1 1   54    8   11 o   3.7360   0.8187   4.3390   1.1700   3.1330   1.1450 1.206000 1.637000 
1 1 1   54    8   12 o   2.3110   0.7555   2.2730   1.0600   2.3480   1.0770 -0.7509000E-01 1.511000 
1 1 1   54    8   13 o   4.9590   0.7173   5.3780   0.9475   4.5400   1.0770 0.8383000 1.435000 
1 1 1   54    8   14 o   2.2780   0.6935   1.5900   0.7920   2.9670   1.1390 -1.376000 1.387000 
1 1 1   54    8   15 o   2.6300   0.7826   2.5660   1.1000   2.6930   1.1130 -0.1263000 1.565000 
1 1 1   54    8   16 o   2.5460   0.7567   3.2020   1.2120   1.8890   0.9059 1.313000 1.513000 
1 1 1   54   10    0 o   6.6470   0.3570   7.0060   0.4788   6.2870   0.5295 0.7185000 0.7139000 
1 1 1   54   10    1 o   3.0050   0.6583   2.7190   0.9416   3.2920   0.9202 -0.5738000 1.317000 
1 1 1   54   10    2 o   4.2540   0.5412   4.1620   0.8015   4.3470   0.7275 -0.1848000 1.082000 
1 1 1   54   10    3 o   2.7880   0.6696   3.3070   0.9620   2.2690   0.9315 1.038000 1.339000 
1 1 1   54   10    4 o   6.3370   0.4069   6.4300   0.5675   6.2440   0.5832 0.1863000 0.8137000 
1 1 1   54   10    5 o   2.7460   0.6497   3.6890   0.9863   1.8030   0.8459 1.886000 1.299000 
1 1 1   54   10    6 o   3.5800   0.7075   2.8380   1.0300   4.3210   0.9699 -1.482000 1.415000 
1 1 1   54   10    7 o   3.7140   0.9300   3.2700   1.2060   4.1590   1.4160 -0.8892000 1.860000 
1 1 1   54   10    8 o   3.0680   0.7291   3.8140   1.0590   2.3230   1.0020 1.491000 1.458000 
1 1 1   54   10    9 o   2.1080   0.6678   1.7580   0.8425   2.4580   1.0360 -0.6999000 1.336000 
1 1 1   54   10   10 o   3.2890   0.7992   3.5970   1.1270   2.9800   1.1330 0.6170000 1.598000 
1 1 1   54   10   11 o   3.4090   0.9064   3.6160   1.3180   3.2010   1.2450 0.4154000 1.813000 
1 1 1   54   10   12 o   4.3810   0.7747   4.7350   1.0420   4.0270   1.1470 0.7086000 1.549000 
1 1 1   54   10   13 o   2.6380   0.7659   2.2080   1.0000   3.0680   1.1600 -0.8597000 1.532000 
1 1 1   54   10   14 o   1.6770   0.5838   1.8340   0.8869   1.5190   0.7595 0.3149000 1.168000 
1 1 1   54   10   15 o   1.7940   0.6163   1.7380   0.8519   1.8490   0.8909 -0.1105000 1.233000 
1 1 1   54   12    0 o   2.7660   0.6261   2.1820   0.9031   3.3500   0.8674 -1.168000 1.252000 
1 1 1   54   12    1 o   5.5230   0.4270   5.8250   0.5893   5.2210   0.6182 0.6038000 0.8541000 
1 1 1   54   12    2 f   3.4470   0.6600   3.2040   0.9861   3.6900   0.8775 -0.4866000 1.320000 
1 1 1   54   12    3 o   3.9250   0.6168   3.4620   0.9851   4.3880   0.7425 -0.9257000 1.234000 
1 1 1   54   12    4 o   2.5870   0.6892   3.0410   1.0180   2.1340   0.9293 0.9067000 1.378000 
1 1 1   54   12    5 o   3.7630   0.7121   4.5860   0.8738   2.9400   1.1250 1.646000 1.424000 
1 1 1   54   12    6 o   3.5510   0.8230   4.2980   1.1480   2.8040   1.1790 1.494000 1.646000 
1 1 1   54   12    7 o   2.5070   0.7318   2.5250   1.0330   2.4880   1.0370 0.3719000E-01 1.464000 
1 1 1   54   12    8 o   3.1670   0.6676   1.8830   0.8850   4.4520   0.9996 -2.569000 1.335000 
1 1 1   54   12    9 o   4.1950   0.7574   3.8670   1.1120   4.5240   1.0290 -0.6568000 1.515000 
1 1 1   54   12   10 o   4.2170   0.9001   4.1290   1.3020   4.3050   1.2430 -0.1758000 1.800000 
1 1 1   54   12   11 o   2.0610   0.6980   2.1410   1.0180   1.9800   0.9554 0.1607000 1.396000 
1 1 1   54   12   12 o   2.6230   0.7650   2.9400   1.1340   2.3050   1.0270 0.6355000 1.530000 
1 1 1   54   12   13 o   2.5470   0.7576   2.8920   1.1360   2.2020   1.0020 0.6906000 1.515000 
1 1 1   54   12   14 o   1.9060   0.6459   1.9280   0.9222   1.8830   0.9046 0.4431000E-01 1.292000 
1 1 1   54   14    0 o   3.2090   0.6592   3.7380   0.9286   2.6800   0.9359 1.058000 1.318000 
1 1 1   54   14    1 o   2.1270   0.6366   1.8490   0.8486   2.4050   0.9491 -0.5568000 1.273000 
1 1 1   54   14    2 o   4.1890   0.6204   4.6170   0.8155   3.7600   0.9352 0.8573000 1.241000 
1 1 1   54   14    3 o   2.3860   0.6771   1.9540   0.8851   2.8180   1.0250 -0.8640000 1.354000 
1 1 1   54   14    4 o   2.9540   0.8148   2.8180   1.1320   3.0910   1.1720 -0.2728000 1.630000 
1 1 1   54   14    5 o   4.9740   0.6696   4.9370   1.0800   5.0110   0.7915 -0.7371000E-01 1.339000 
1 1 1   54   14    6 o   3.0800   0.7510   2.5130   1.0330   3.6470   1.0900 -1.134000 1.502000 
1 1 1   54   14    7 o   2.5800   0.7425   2.7760   1.0790   2.3830   1.0210 0.3927000 1.485000 
1 1 1   54   14    8 o   4.8210   0.6852   3.8080   1.1120   5.8340   0.8008 -2.025000 1.370000 
1 1 1   54   14    9 o   3.2830   0.8531   2.6050   1.1530   3.9600   1.2570 -1.356000 1.706000 
1 1 1   54   14   10 o   2.4220   0.7218   2.9190   1.1220   1.9250   0.9085 0.9935000 1.444000 
1 1 1   54   14   11 o   2.6670   0.7520   2.1070   0.9668   3.2270   1.1520 -1.120000 1.504000 
1 1 1   54   14   12 o   2.1970   0.7060   2.2780   1.0200   2.1170   0.9764 0.1607000 1.412000 
1 1 1   54   16    0 o   3.5830   0.6736   3.1930   1.0360   3.9720   0.8619 -0.7797000 1.347000 
1 1 1   54   16    1 o   2.4950   0.6896   2.8620   1.0280   2.1280   0.9191 0.7348000 1.379000 
1 1 1   54   16    2 o   4.7110   0.7321   4.4500   1.1140   4.9720   0.9504 -0.5218000 1.464000 
1 1 1   54   16    3 o   6.7020   0.5218   6.0200   0.8928   7.3850   0.5403 -1.365000 1.044000 
1 1 1   54   16    4 o   5.5830   0.5371   5.6350   0.7776   5.5300   0.7411 0.1052000 1.074000 
1 1 1   54   16    5 o   5.2240   0.6249   4.7600   0.9815   5.6870   0.7736 -0.9267000 1.250000 
1 1 1   54   16    6 f   2.3740   0.7008   1.9460   0.9101   2.8020   1.0660 -0.8558000 1.402000 
1 1 1   54   16    7 o   6.7630   0.4732   7.1190   0.6607   6.4060   0.6777 0.7130000 0.9464000 
1 1 1   54   16    8 o   2.3510   0.7620   2.6140   1.1580   2.0880   0.9909 0.5267000 1.524000 
1 1 1   54   16    9 o   2.2080   0.7015   2.1140   0.9674   2.3020   1.0160 -0.1875000 1.403000 
1 1 1   54   16   10 o   2.6620   0.7578   2.2320   1.0020   3.0920   1.1370 -0.8596000 1.516000 
1 1 1   54   18    0 o   2.5780   0.7363   2.0750   0.9704   3.0810   1.1080 -1.006000 1.473000 
1 1 1   54   18    1 o   4.5370   0.6395   5.0110   0.8491   4.0630   0.9565 0.9485000 1.279000 
1 1 1   54   18    2 o   2.3420   0.6810   1.8620   0.8728   2.8220   1.0450 -0.9601000 1.362000 
1 1 1   54   18    3 o   2.3610   0.6948   2.8690   1.0910   1.8530   0.8611 1.016000 1.390000 
1 1 1   54   18    4 o   2.1510   0.6794   2.2280   0.9872   2.0730   0.9338 0.1548000 1.359000 
1 1 1   54   18    5 o   2.4940   0.7315   2.3840   1.0240   2.6040   1.0450 -0.2195000 1.463000 
1 1 1   54   18    6 o   2.0600   0.6894   2.0860   0.9941   2.0350   0.9553 0.5104000E-01 1.379000 
1 1 1   54   18    7 o   1.9920   0.6546   1.9540   0.9172   2.0300   0.9341 -0.7579000E-01 1.309000 
1 1 1   54   20    0 o   2.1010   0.6574   2.0150   0.9190   2.1880   0.9403 -0.1725000 1.315000 
1 1 1   54   20    1 f   2.6530   0.7221   3.2820   1.1220   2.0230   0.9088 1.259000 1.444000 
1 1 1   54   20    2 o   3.3110   0.7202   2.4720   1.0500   4.1500   0.9865 -1.678000 1.440000 
1 1 1   54   20    3 o   2.3470   0.7645   2.7690   1.2030   1.9250   0.9435 0.8441000 1.529000 
1 1 1   55    1    0 o   7.8120   0.3469   7.8060   0.4858   7.8190   0.4952 -0.1292000E-01 0.6937000 
1 1 1   55    1    1 o   2.2960   0.6376   2.1180   0.8726   2.4740   0.9300 -0.3562000 1.275000 
1 1 1   55    1    2 o   2.0730   0.6237   2.1070   0.8844   2.0390   0.8797 0.6742000E-01 1.247000 
1 1 1   55    1    3 o   2.9540   0.6857   2.9750   0.9806   2.9330   0.9587 0.4194000E-01 1.371000 
1 1 1   55    1    4 o   5.5030   0.4686   5.8100   0.6415   5.1960   0.6832 0.6139000 0.9371000 
1 1 1   55    1    5 o   2.1530   0.6540   2.2370   0.9526   2.0690   0.8963 0.1675000 1.308000 
1 1 1   55    1    6 o   1.9900   0.6298   1.8730   0.8610   2.1060   0.9192 -0.2330000 1.260000 
1 1 1   55    1    7 o   2.3800   0.7016   2.9480   1.1200   1.8110   0.8457 1.137000 1.403000 
1 1 1   55    1    8 o   3.5450   0.7715   4.0340   1.0270   3.0570   1.1520 0.9768000 1.543000 
1 1 1   55    1    9 o   4.7510   0.6515   4.9870   0.8803   4.5160   0.9606 0.4710000 1.303000 
1 1 1   55    1   10 o   4.0920   0.7484   3.9580   1.0780   4.2260   1.0380 -0.2685000 1.497000 
1 1 1   55    1   11 o   2.5940   0.7550   2.6990   1.0860   2.4890   1.0490 0.2098000 1.510000 
1 1 1   55    1   12 o   3.5940   1.0440   3.6570   1.5020   3.5310   1.4490 0.1266000 2.087000 
1 1 1   55    1   13 o   2.4660   0.7490   2.2880   1.0210   2.6450   1.0970 -0.3577000 1.498000 
1 1 1   55    1   14 o   3.2010   0.8202   2.8340   1.1390   3.5670   1.1810 -0.7335000 1.640000 
1 1 1   55    1   15 f   2.1470   0.6979   2.1300   0.9815   2.1640   0.9924 -0.3398000E-01 1.396000 
1 1 1   55    1   16 o   2.1480   0.6966   2.3870   1.0520   1.9090   0.9137 0.4780000 1.393000 
1 1 1   55    1   17 o   2.7950   0.7993   2.5250   1.0850   3.0650   1.1740 -0.5398000 1.599000 
1 1 1   55    3    0 o   5.5320   0.4075   5.1440   0.6474   5.9190   0.4952 -0.7757000 0.8151000 
1 1 1   55    3    1 o   4.7400   0.7409   5.0530   1.1770   4.4280   0.9005 0.6248000 1.482000 
1 1 1   55    3    2 o   4.7390   0.5373   5.1410   0.7456   4.3360   0.7739 0.8055000 1.075000 
1 1 1   55    3    3 o   4.8810   0.5596   4.4950   0.9033   5.2680   0.6608 -0.7722000 1.119000 
1 1 1   55    3    4 o   4.9620   0.5803   4.5090   0.9613   5.4150   0.6503 -0.9061000 1.161000 
1 1 1   55    3    5 o   3.0240   0.6479   2.1510   0.9221   3.8980   0.9105 -1.748000 1.296000 
1 1 1   55    3    6 o   3.3970   0.7425   3.8860   1.0730   2.9080   1.0270 0.9783000 1.485000 
1 1 1   55    3    7 o   2.4490   0.7165   2.3200   1.0120   2.5770   1.0140 -0.2564000 1.433000 
1 1 1   55    3    8 o   2.2460   0.6993   1.7740   0.8446   2.7180   1.1150 -0.9440000 1.399000 
1 1 1   55    3    9 o   3.4410   0.7641   3.7990   1.0740   3.0820   1.0870 0.7167000 1.528000 
1 1 1   55    3   10 o   2.6260   0.7341   3.0730   1.1060   2.1780   0.9659 0.8948000 1.468000 
1 1 1   55    3   11 o   2.7760   0.7672   3.7050   1.2440   1.8460   0.8979 1.859000 1.534000 
1 1 1   55    3   12 f   3.6130   0.8938   4.1230   1.2940   3.1030   1.2340 1.020000 1.788000 
1 1 1   55    3   13 o   2.2190   0.7079   2.2700   1.0180   2.1680   0.9845 0.1024000 1.416000 
1 1 1   55    3   14 o   2.4250   0.7338   2.9960   1.1650   1.8530   0.8925 1.143000 1.468000 
1 1 1   55    3   15 o   2.2400   0.7160   2.0490   0.9584   2.4300   1.0640 -0.3812000 1.432000 
1 1 1   55    3   16 o   2.3860   0.7476   2.4280   1.0670   2.3430   1.0470 0.8459000E-01 1.495000 
1 1 1   55    3   17 o   2.8140   0.8071   2.9250   1.1570   2.7030   1.1250 0.2224000 1.614000 
1 1 1   55    5    0 o   7.7810   0.3088   7.4290   0.4896   8.1340   0.3765 -0.7048000 0.6177000 
1 1 1   55    5    1 o   3.0440   0.7766   2.6190   1.1700   3.4690   1.0210 -0.8493000 1.553000 
1 1 1   55    5    2 o   4.0090   0.6696   4.0880   1.0360   3.9310   0.8490 0.1566000 1.339000 
1 1 1   55    5    3 o   6.7330   0.4286   6.6700   0.6875   6.7950   0.5119 -0.1241000 0.8571000 
1 1 1   55    5    4 o   2.1940   0.6513   2.9440   1.0950   1.4450   0.7060 1.499000 1.303000 
1 1 1   55    5    5 o   2.1570   0.6829   2.1600   1.0120   2.1540   0.9171 0.5440000E-02 1.366000 
1 1 1   55    5    6 o   4.2030   0.7189   4.6080   1.0370   3.7980   0.9957 0.8106000 1.438000 
1 1 1   55    5    7 o   6.4590   0.5132   6.3420   0.8127   6.5760   0.6268 -0.2344000 1.026000 
1 1 1   55    5    8 f   4.5460   0.7875   3.8830   1.2000   5.2080   1.0200 -1.325000 1.575000 
1 1 1   55    5    9 o   3.3200   0.7944   4.1180   1.2020   2.5230   1.0390 1.596000 1.589000 
1 1 1   55    5   10 o   2.6290   0.7694   3.3990   1.2490   1.8580   0.8992 1.542000 1.539000 
1 1 1   55    5   11 o   3.1970   0.8092   3.4210   1.1580   2.9730   1.1310 0.4481000 1.618000 
1 1 1   55    5   12 o   3.9900   0.9410   4.0050   1.3710   3.9750   1.2890 0.3047000E-01 1.882000 
1 1 1   55    5   13 o   1.6550   0.5763   1.6110   0.7992   1.6990   0.8305 -0.8842000E-01 1.153000 
1 1 1   55    5   14 o   2.3440   0.7370   2.3750   1.0560   2.3120   1.0280 0.6374000E-01 1.474000 
1 1 1   55    5   15 o   2.5160   0.7669   2.4230   1.0680   2.6080   1.1010 -0.1852000 1.534000 
1 1 1   55    5   16 o   1.9890   0.6656   2.0560   0.9640   1.9220   0.9181 0.1339000 1.331000 
1 1 1   55    5   17 o   2.7990   1.3420   2.7990   1.3420  ?   ?       ?      ? 
1 1 1   55    7    0 o   7.6740   0.5055   7.9530   0.9097   7.3950   0.4411 0.5585000 1.011000 
1 1 1   55    7    1 o   3.6080   0.5950   4.8820   0.8178   2.3330   0.8645 2.549000 1.190000 
1 1 1   55    7    2 o   6.7120   0.4128   6.3800   0.6724   7.0440   0.4791 -0.6635000 0.8256000 
1 1 1   55    7    3 o   5.7430   0.5610   5.6130   0.9561   5.8720   0.5871 -0.2584000 1.122000 
1 1 1   55    7    4 o   2.8380   0.7657   2.9280   1.1670   2.7480   0.9914 0.1802000 1.531000 
1 1 1   55    7    5 o   5.2300   0.5815   5.8380   0.8382   4.6210   0.8063 1.217000 1.163000 
1 1 1   55    7    6 o   4.4000   0.6584   2.7600   1.1300   6.0400   0.6764 -3.280000 1.317000 
1 1 1   55    7    7 o   5.4760   0.6386   5.4190   1.0190   5.5320   0.7700 -0.1127000 1.277000 
1 1 1   55    7    8 o   3.8130   0.8748   4.0320   1.2400   3.5940   1.2340 0.4384000 1.750000 
1 1 1   55    7    9 o   3.1570   0.8418   2.8490   1.1780   3.4650   1.2020 -0.6151000 1.684000 
1 1 1   55    7   10 o   3.4080   0.8307   3.1700   1.2250   3.6460   1.1230 -0.4762000 1.661000 
1 1 1   55    7   11 o   2.5040   0.7661   2.3240   1.0680   2.6830   1.0990 -0.3590000 1.532000 
1 1 1   55    7   12 o   3.6420   0.9213   2.8750   1.3390   4.4080   1.2660 -1.534000 1.843000 
1 1 1   55    7   13 o   2.8540   0.8346   3.1490   1.2780   2.5590   1.0740 0.5905000 1.669000 
1 1 1   55    7   14 o   3.3100   0.8335   2.6510   1.1980   3.9680   1.1600 -1.316000 1.667000 
1 1 1   55    7   15 o   2.2560   0.7248   2.3530   1.0590   2.1600   0.9902 0.1933000 1.450000 
1 1 1   55    7   16 o   1.9320   0.6541   1.9490   0.9365   1.9160   0.9135 0.3370000E-01 1.308000 
1 1 1   55    9    0 o   7.5890   0.2745   7.8940   0.3857   7.2850   0.3905 0.6087000 0.5489000 
1 1 1   55    9    1 o   4.5390   0.5210   4.7410   0.7148   4.3380   0.7581 0.4035000 1.042000 
1 1 1   55    9    2 o   1.7170   0.5626   1.5680   0.7519   1.8660   0.8369 -0.2980000 1.125000 
1 1 1   55    9    3 o   5.0670   0.4877   5.1680   0.6761   4.9670   0.7030 0.2014000 0.9754000 
1 1 1   55    9    4 o   7.8840   0.3393   8.4070   0.4560   7.3620   0.5025 1.044000 0.6786000 
1 1 1   55    9    5 o   8.3800   0.3307   8.7470   0.4511   8.0130   0.4836 0.7337000 0.6613000 
1 1 1   55    9    6 o   2.7250   0.7204   3.0010   1.0280   2.4490   1.0100 0.5523000 1.441000 
1 1 1   55    9    7 o   4.5810   0.8342   5.6860   0.9456   3.4760   1.3750 2.210000 1.668000 
1 1 1   55    9    8 o   3.7750   0.7777   4.1730   1.0050   3.3770   1.1870 0.7956000 1.555000 
1 1 1   55    9    9 o   2.1450   0.6731   2.4570   1.0270   1.8330   0.8700 0.6241000 1.346000 
1 1 1   55    9   10 o   2.0500   0.6643   2.2510   0.9938   1.8480   0.8818 0.4034000 1.329000 
1 1 1   55    9   11 o   2.8900   0.7702   3.6160   1.1830   2.1640   0.9861 1.452000 1.540000 
1 1 1   55    9   12 o   2.2230   0.7286   1.8290   0.9038   2.6170   1.1430 -0.7876000 1.457000 
1 1 1   55    9   13 o   2.2360   0.7163   2.4280   1.0660   2.0440   0.9576 0.3846000 1.433000 
1 1 1   55    9   14 o   3.8960   0.7801   2.8860   1.1550   4.9060   1.0490 -2.020000 1.560000 
1 1 1   55    9   15 o   2.2800   0.7266   2.4920   1.0870   2.0680   0.9643 0.4246000 1.453000 
1 1 1   55   11    0 o   8.8130   0.2642   8.4270   0.3945   9.1980   0.3516 -0.7712000 0.5285000 
1 1 1   55   11    1 o   5.9480   0.3928   6.1180   0.5505   5.7770   0.5605 0.3414000 0.7856000 
1 1 1   55   11    2 o   5.9210   0.3987   6.1000   0.5734   5.7420   0.5542 0.3572000 0.7975000 
1 1 1   55   11    3 o   2.7730   0.6604   2.3330   0.9452   3.2130   0.9226 -0.8796000 1.321000 
1 1 1   55   11    4 o   3.2400   0.7056   3.4300   0.9904   3.0510   1.0050 0.3791000 1.411000 
1 1 1   55   11    5 o   4.1090   0.7138   3.8080   0.9622   4.4110   1.0540 -0.6022000 1.428000 
1 1 1   55   11    6 o   3.6110   0.8777   4.1040   1.1890   3.1170   1.2910 0.9868000 1.755000 
1 1 1   55   11    7 o   1.9370   0.6289   2.1290   0.9398   1.7450   0.8361 0.3831000 1.258000 
1 1 1   55   11    8 o   5.2820   0.6336   4.1660   1.0460   6.3970   0.7157 -2.231000 1.267000 
1 1 1   55   11    9 o   3.2030   0.7876   2.8680   1.0990   3.5390   1.1290 -0.6712000 1.575000 
1 1 1   55   11   10 o   1.9100   0.6366   1.7400   0.8424   2.0800   0.9546 -0.3400000 1.273000 
1 1 1   55   11   11 o   2.4630   0.7863   2.6650   1.1710   2.2610   1.0500 0.4043000 1.573000 
1 1 1   55   11   12 o   1.9910   0.6607   1.9740   0.9303   2.0070   0.9383 -0.3303000E-01 1.321000 
1 1 1   55   11   13 o   2.0110   0.6658   1.7990   0.8717   2.2230   1.0070 -0.4240000 1.332000 
1 1 1   55   11   14 o   2.1690   0.7004   2.4060   1.0600   1.9320   0.9158 0.4745000 1.401000 
1 1 1   55   13    0 o   2.5350   0.6600   2.3230   0.9344   2.7470   0.9323 -0.4240000 1.320000 
1 1 1   55   13    1 o   6.5250   0.3767   6.6690   0.5405   6.3810   0.5250 0.2885000 0.7535000 
1 1 1   55   13    2 o   3.0750   0.6905   3.6090   0.9730   2.5420   0.9799 1.067000 1.381000 
1 1 1   55   13    3 o   2.6640   0.7113   2.8790   1.0250   2.4490   0.9870 0.4300000 1.423000 
1 1 1   55   13    4 o   2.7410   0.7182   2.8760   1.0340   2.6060   0.9975 0.2696000 1.436000 
1 1 1   55   13    5 f   2.5690   0.7604   2.9700   1.1620   2.1670   0.9805 0.8036000 1.521000 
1 1 1   55   13    6 o   3.2270   0.7534   3.6970   1.0540   2.7580   1.0770 0.9394000 1.507000 
1 1 1   55   13    7 o   2.0490   0.6594   2.2150   0.9751   1.8830   0.8880 0.3314000 1.319000 
1 1 1   55   13    8 o   2.8810   0.7521   2.2540   0.9919   3.5090   1.1310 -1.255000 1.504000 
1 1 1   55   13    9 o   4.8110   0.7053   4.2720   1.0840   5.3510   0.9032 -1.079000 1.411000 
1 1 1   55   13   10 o   2.9880   0.8371   2.3510   1.0800   3.6260   1.2790 -1.275000 1.674000 
1 1 1   55   13   11 o   2.2160   0.6991   2.6030   1.0870   1.8280   0.8793 0.7749000 1.398000 
1 1 1   55   13   12 o   2.0220   0.6694   2.0720   0.9625   1.9730   0.9306 0.9962000E-01 1.339000 
1 1 1   55   15    0 o   5.3480   0.4797   4.9860   0.7713   5.7110   0.5704 -0.7254000 0.9593000 
1 1 1   55   15    1 o   2.2530   0.6532   2.0340   0.9000   2.4720   0.9470 -0.4382000 1.306000 
1 1 1   55   15    2 o   4.1310   0.6354   5.0380   0.8045   3.2250   0.9838 1.813000 1.271000 
1 1 1   55   15    3 o   2.8530   0.7311   3.8360   1.1610   1.8700   0.8894 1.965000 1.462000 
1 1 1   55   15    4 o   6.3510   0.5859   5.5100   1.0140   7.1930   0.5864 -1.683000 1.172000 
1 1 1   55   15    5 o   2.9080   0.7302   2.3000   0.9984   3.5160   1.0660 -1.215000 1.460000 
1 1 1   55   15    6 o   1.8760   0.6213   1.8580   0.8813   1.8940   0.8760 -0.3582000E-01 1.243000 
1 1 1   55   15    7 o   1.9680   0.6501   2.0470   0.9437   1.8890   0.8944 0.1581000 1.300000 
1 1 1   55   15    8 o   3.6760   0.8426   4.1270   1.1310   3.2250   1.2490 0.9019000 1.685000 
1 1 1   55   15    9 o   2.5380   0.7999   2.6500   1.1630   2.4260   1.0980 0.2239000 1.600000 
1 1 1   55   15   10 o   2.4090   0.7109   1.8060   0.8668   3.0120   1.1270 -1.206000 1.422000 
1 1 1   55   17    0 o   3.7860   0.7473   3.6660   1.0380   3.9060   1.0750 -0.2400000 1.495000 
1 1 1   55   17    1 o   2.2750   0.7148   2.2410   1.0150   2.3090   1.0070 -0.6803000E-01 1.430000 
1 1 1   55   17    2 o   2.7710   0.7294   2.9750   1.0600   2.5670   1.0020 0.4079000 1.459000 
1 1 1   55   17    3 o   2.0610   0.6542   2.2410   0.9765   1.8800   0.8709 0.3601000 1.308000 
1 1 1   55   17    4 o   2.2130   0.6822   2.0060   0.9259   2.4210   1.0020 -0.4153000 1.364000 
1 1 1   55   17    5 o   1.8530   0.6107   1.4250   0.7137   2.2820   0.9913 -0.8571000 1.221000 
1 1 1   55   17    6 o   2.6360   0.7081   1.8490   0.8800   3.4230   1.1100 -1.573000 1.416000 
1 1 1   55   17    7 o   2.7330   0.8161   3.0280   1.2400   2.4390   1.0610 0.5891000 1.632000 
1 1 1   55   17    8 o   2.5260   0.7755   1.8030   0.8937   3.2500   1.2680 -1.447000 1.551000 
1 1 1   55   19    0 o   2.5930   0.7069   2.2430   0.9793   2.9430   1.0200 -0.6998000 1.414000 
1 1 1   55   19    1 o   2.8550   0.7464   2.9380   1.0840   2.7720   1.0260 0.1662000 1.493000 
1 1 1   55   19    2 o   3.1310   0.7580   2.8970   1.0950   3.3650   1.0490 -0.4676000 1.516000 
1 1 1   55   19    3 o   2.1560   0.6755   2.3790   1.0160   1.9340   0.8901 0.4451000 1.351000 
1 1 1   55   19    4 o   1.6800   0.5896   1.5770   0.7958   1.7830   0.8701 -0.2062000 1.179000 
1 1 1   56    0    0 o   2.2210   1.3180   2.2210   1.3180   2.2210   1.3180 0.000000 0.000000 
1 1 1   56    0    1 o   1.2240   0.8278   1.2240   0.8278   1.2240   0.8278 0.000000 0.000000 
1 1 1   56    0    2 o   7.8440   0.4430   7.8440   0.4430   7.8440   0.4430 0.000000 0.000000 
1 1 1   56    0    3 o   1.2860   0.8755   1.2860   0.8755   1.2860   0.8755 0.000000 0.000000 
1 1 1   56    0    4 o   3.6670   1.1180   3.6670   1.1180   3.6670   1.1180 0.000000 0.000000 
1 1 1   56    0    5 o   1.6610   1.0880   1.6610   1.0880   1.6610   1.0880 0.000000 0.000000 
1 1 1   56    0    6 o   1.8320   1.1050   1.8320   1.1050   1.8320   1.1050 0.000000 0.000000 
1 1 1   56    0    7 o   2.3510   1.3070   2.3510   1.3070   2.3510   1.3070 0.000000 0.000000 
1 1 1   56    0    8 o   1.5210   1.0100   1.5210   1.0100   1.5210   1.0100 0.000000 0.000000 
1 1 1   56    0    9 o   1.5540   1.0270   1.5540   1.0270   1.5540   1.0270 0.000000 0.000000 
1 1 1   56    0   10 o   7.0810   0.6549   7.0810   0.6549   7.0810   0.6549 0.000000 0.000000 
1 1 1   56    0   11 o   1.8740   1.1740   1.8740   1.1740   1.8740   1.1740 0.000000 0.000000 
1 1 1   56    0   12 o   1.8050   1.2580   1.8050   1.2580   1.8050   1.2580 0.000000 0.000000 
1 1 1   56    0   13 o   2.1720   1.2800   2.1720   1.2800   2.1720   1.2800 0.000000 0.000000 
1 1 1   56    0   14 o   2.0460   1.2580   2.0460   1.2580   2.0460   1.2580 0.000000 0.000000 
1 1 1   56    0   15 o   1.4380   0.9956   1.4380   0.9956   1.4380   0.9956 0.000000 0.000000 
1 1 1   56    0   16 o   1.5980   1.0790   1.5980   1.0790   1.5980   1.0790 0.000000 0.000000 
1 1 1   56    2    0 o   7.7140   0.4527   8.0530   0.7319   7.3760   0.5331 0.6777000 0.9055000 
1 1 1   56    2    1 o   4.0630   0.5536   3.5650   0.8492   4.5620   0.7105 -0.9969000 1.107000 
1 1 1   56    2    2 o   2.5380   0.6394   2.0150   0.8620   3.0610   0.9447 -1.046000 1.279000 
1 1 1   56    2    3 o   3.4970   0.6545   3.4640   0.9319   3.5300   0.9193 -0.6643000E-01 1.309000 
1 1 1   56    2    4 o   2.2710   0.6606   2.2090   0.9222   2.3330   0.9461 -0.1234000 1.321000 
1 1 1   56    2    5 o   8.7580   0.3145   8.7440   0.4582   8.7730   0.4308 -0.2881000E-01 0.6289000 
1 1 1   56    2    6 o   2.2310   0.6644   1.9080   0.8770   2.5540   0.9983 -0.6461000 1.329000 
1 1 1   56    2    7 o   1.8600   0.6162   1.7810   0.8571   1.9380   0.8854 -0.1577000 1.232000 
1 1 1   56    2    8 o   4.6870   0.6954   4.7700   0.8985   4.6040   1.0620 0.1658000 1.391000 
1 1 1   56    2    9 o   2.4990   0.7257   2.5660   1.0380   2.4330   1.0150 0.1331000 1.451000 
1 1 1   56    2   10 o   2.2090   0.6923   2.2760   0.9953   2.1430   0.9625 0.1332000 1.385000 
1 1 1   56    2   11 o   2.8770   0.8338   2.9470   1.1930   2.8060   1.1650 0.1411000 1.668000 
1 1 1   56    2   12 f   2.2740   0.7427   2.7380   1.1880   1.8090   0.8915 0.9285000 1.485000 
1 1 1   56    2   13 o   1.8040   0.6159   1.8820   0.9003   1.7260   0.8405 0.1565000 1.232000 
1 1 1   56    2   14 o   2.0460   0.6780   2.0610   0.9658   2.0300   0.9518 0.3112000E-01 1.356000 
1 1 1   56    2   15 o   2.3780   0.7318   1.9240   0.9195   2.8320   1.1390 -0.9084000 1.464000 
1 1 1   56    2   16 o   1.7370   0.6011   1.6660   0.8230   1.8080   0.8763 -0.1418000 1.202000 
1 1 1   56    4    0 o   4.6570   0.5009   4.3110   0.8070   5.0040   0.5934 -0.6937000 1.002000 
1 1 1   56    4    1 o   1.8590   0.6319   2.0680   0.9886   1.6490   0.7873 0.4185000 1.264000 
1 1 1   56    4    2 o   3.2760   0.6910   3.7410   1.0100   2.8110   0.9427 0.9297000 1.382000 
1 1 1   56    4    3 o   5.6330   0.4986   5.3730   0.8063   5.8920   0.5867 -0.5193000 0.9972000 
1 1 1   56    4    4 o   1.8750   0.6117   1.9230   0.8940   1.8270   0.8350 0.9590000E-01 1.223000 
1 1 1   56    4    5 o   4.4040   0.6624   3.8570   1.0970   4.9500   0.7422 -1.094000 1.325000 
1 1 1   56    4    6 o   2.9340   0.7649   3.9280   1.2490   1.9400   0.8827 1.988000 1.530000 
1 1 1   56    4    7 o   2.6860   0.7206   2.3010   0.9777   3.0710   1.0590 -0.7702000 1.441000 
1 1 1   56    4    8 o   4.0200   0.7811   4.1110   1.0260   3.9290   1.1780 0.1810000 1.562000 
1 1 1   56    4    9 f   1.8680   0.6223   1.9860   0.9195   1.7490   0.8388 0.2364000 1.245000 
1 1 1   56    4   10 o   1.9320   0.6352   1.5850   0.7830   2.2790   1.0000 -0.6935000 1.270000 
1 1 1   56    4   11 o   2.8860   0.8165   2.2670   1.0500   3.5040   1.2510 -1.237000 1.633000 
1 1 1   56    4   12 o   4.1620   0.9316   3.8370   1.3640   4.4870   1.2690 -0.6493000 1.863000 
1 1 1   56    4   13 o   2.3950   0.7339   1.9980   0.9413   2.7920   1.1260 -0.7935000 1.468000 
1 1 1   56    4   14 o   2.6120   0.7748   2.3610   1.0480   2.8620   1.1420 -0.5010000 1.550000 
1 1 1   56    4   15 o   2.4540   0.7562   2.4970   1.0800   2.4100   1.0580 0.8676000E-01 1.512000 
1 1 1   56    4   16 o   2.0610   0.6762   1.7230   0.8460   2.3990   1.0550 -0.6767000 1.352000 
1 1 1   56    6    0 o   4.5950   0.7362   4.6300   1.2970   4.5600   0.6977 0.6947000E-01 1.472000 
1 1 1   56    6    1 o   1.9690   0.6107   2.1480   0.9208   1.7890   0.8024 0.3596000 1.221000 
1 1 1   56    6    2 o   3.1850   0.7050   3.4660   1.0520   2.9050   0.9385 0.5606000 1.410000 
1 1 1   56    6    3 o   3.9540   0.6778   4.0890   1.0230   3.8190   0.8898 0.2702000 1.356000 
1 1 1   56    6    4 o   3.2590   0.7930   3.2660   1.2350   3.2530   0.9955 0.1368000E-01 1.586000 
1 1 1   56    6    5 o   2.0330   0.6572   2.3920   1.0490   1.6750   0.7915 0.7172000 1.314000 
1 1 1   56    6    6 o   2.1470   0.6756   2.7800   1.1290   1.5140   0.7427 1.266000 1.351000 
1 1 1   56    6    7 o   2.6170   0.7606   2.9440   1.1630   2.2890   0.9808 0.6552000 1.521000 
1 1 1   56    6    8 o   4.6220   0.8174   4.6470   1.1500   4.5970   1.1620 0.5027000E-01 1.635000 
1 1 1   56    6    9 o   2.8840   0.7976   2.7990   1.1590   2.9680   1.0960 -0.1694000 1.595000 
1 1 1   56    6   10 o   3.1330   0.8446   2.8730   1.1730   3.3940   1.2150 -0.5214000 1.689000 
1 1 1   56    6   11 o   2.4920   0.7626   2.2690   1.0520   2.7150   1.1040 -0.4455000 1.525000 
1 1 1   56    6   12 o   2.7280   0.8862   2.8690   1.3630   2.5880   1.1340 0.2815000 1.772000 
1 1 1   56    6   13 o   2.6680   0.7746   3.1230   1.1850   2.2130   0.9974 0.9102000 1.549000 
1 1 1   56    6   14 o   2.4190   0.7438   2.1040   0.9868   2.7340   1.1130 -0.6298000 1.488000 
1 1 1   56    6   15 o   2.1710   0.7081   2.2340   1.0260   2.1090   0.9760 0.1247000 1.416000 
1 1 1   56    6   16 o   1.9330   0.6873   1.8780   0.9394   1.9870   1.0030 -0.1086000 1.375000 
1 1 1   56    8    0 o   8.1500   0.3119   8.5370   0.4597   7.7620   0.4217 0.7745000 0.6238000 
1 1 1   56    8    1 o   4.2580   0.4886   4.4000   0.6798   4.1150   0.7019 0.2856000 0.9772000 
1 1 1   56    8    2 o   4.0660   0.6005   4.1850   0.8494   3.9470   0.8490 0.2380000 1.201000 
1 1 1   56    8    3 o   2.2500   0.6641   2.3200   0.9604   2.1800   0.9176 0.1400000 1.328000 
1 1 1   56    8    4 o   5.3710   0.4926   4.7070   0.7802   6.0340   0.6014 -1.327000 0.9851000 
1 1 1   56    8    5 o   2.4400   0.6861   2.4130   0.9667   2.4680   0.9739 -0.5552000E-01 1.372000 
1 1 1   56    8    6 o   4.4140   0.6350   3.3840   1.0090   5.4440   0.7711 -2.060000 1.270000 
1 1 1   56    8    7 o   2.5600   0.7657   2.9190   1.1470   2.2010   1.0140 0.7181000 1.531000 
1 1 1   56    8    8 o   3.6180   0.7935   3.9380   1.0370   3.2990   1.2010 0.6396000 1.587000 
1 1 1   56    8    9 o   3.5530   0.7897   3.6130   1.1050   3.4920   1.1280 0.1206000 1.579000 
1 1 1   56    8   10 f   2.1010   0.6762   2.3460   1.0230   1.8560   0.8849 0.4905000 1.352000 
1 1 1   56    8   11 o   3.0380   0.7840   2.4950   1.0640   3.5810   1.1520 -1.086000 1.568000 
1 1 1   56    8   12 o   2.2870   0.7411   1.9250   0.9401   2.6490   1.1460 -0.7236000 1.482000 
1 1 1   56    8   13 o   2.7750   0.7960   2.8780   1.1470   2.6720   1.1040 0.2060000 1.592000 
1 1 1   56    8   14 o   2.2440   0.7181   1.9810   0.9418   2.5070   1.0840 -0.5260000 1.436000 
1 1 1   56    8   15 o   2.0710   0.6837   2.4450   1.0840   1.6970   0.8342 0.7482000 1.367000 
1 1 1   56   10    0 o   2.6680   0.6727   2.8260   0.9550   2.5110   0.9476 0.3145000 1.345000 
1 1 1   56   10    1 o   2.1210   0.5723   1.4450   0.6980   2.7970   0.9072 -1.352000 1.145000 
1 1 1   56   10    2 o   7.0700   0.3369   6.4930   0.5207   7.6480   0.4275 -1.156000 0.6737000 
1 1 1   56   10    3 o   2.4880   0.6464   3.1370   0.9798   1.8400   0.8433 1.297000 1.293000 
1 1 1   56   10    4 o   3.0170   0.7039   3.1840   0.9988   2.8490   0.9922 0.3358000 1.408000 
1 1 1   56   10    5 o   5.9010   0.4618   6.0660   0.6349   5.7360   0.6708 0.3302000 0.9236000 
1 1 1   56   10    6 o   3.4100   0.7943   1.8580   0.8638   4.9620   1.3330 -3.103000 1.589000 
1 1 1   56   10    7 o   4.8090   0.8782   5.1530   1.0440   4.4640   1.4120 0.6896000 1.756000 
1 1 1   56   10    8 o   2.8430   0.7603   3.0960   1.0880   2.5890   1.0620 0.5071000 1.521000 
1 1 1   56   10    9 o   2.7720   0.7545   2.2760   0.9982   3.2680   1.1320 -0.9917000 1.509000 
1 1 1   56   10   10 o   2.0340   0.6625   2.3400   1.0240   1.7280   0.8407 0.6122000 1.325000 
1 1 1   56   10   11 o   2.0310   0.6898   1.9360   0.9453   2.1260   1.0050 -0.1901000 1.380000 
1 1 1   56   10   12 o   1.6120   0.5630   1.4190   0.7144   1.8050   0.8705 -0.3868000 1.126000 
1 1 1   56   10   13 o   1.8860   0.6384   1.8260   0.8815   1.9460   0.9235 -0.1200000 1.277000 
1 1 1   56   10   14 o   2.0700   0.6800   1.7070   0.8424   2.4340   1.0680 -0.7274000 1.360000 
1 1 1   56   12    0 o   6.7990   0.3438   6.3240   0.5336   7.2750   0.4338 -0.9514000 0.6877000 
1 1 1   56   12    1 o   4.9740   0.4891   5.4890   0.6387   4.4590   0.7409 1.030000 0.9782000 
1 1 1   56   12    2 o   2.6020   0.6456   1.9890   0.8816   3.2160   0.9433 -1.227000 1.291000 
1 1 1   56   12    3 o   2.5530   0.6865   2.6180   0.9965   2.4880   0.9446 0.1296000 1.373000 
1 1 1   56   12    4 o   2.4290   0.6943   2.6180   1.0140   2.2390   0.9492 0.3786000 1.389000 
1 1 1   56   12    5 o   4.2330   0.7529   5.0420   0.8174   3.4250   1.2650 1.616000 1.506000 
1 1 1   56   12    6 o   3.6650   0.8151   4.5830   1.1290   2.7470   1.1760 1.836000 1.630000 
1 1 1   56   12    7 o   2.2500   0.6759   2.8300   1.0800   1.6690   0.8130 1.161000 1.352000 
1 1 1   56   12    8 o   3.1300   0.7578   2.4460   1.0350   3.8150   1.1070 -1.369000 1.516000 
1 1 1   56   12    9 o   2.3620   0.7245   2.5730   1.0720   2.1510   0.9751 0.4225000 1.449000 
1 1 1   56   12   10 o   2.6440   0.8122   2.3440   1.0840   2.9440   1.2100 -0.6000000 1.624000 
1 1 1   56   12   11 o   3.2630   0.7852   3.9740   1.1370   2.5510   1.0830 1.423000 1.570000 
1 1 1   56   12   12 o   2.6180   0.7329   3.3880   1.1670   1.8480   0.8871 1.540000 1.466000 
1 1 1   56   14    0 o   2.1350   0.6379   2.3640   0.9541   1.9060   0.8470 0.4580000 1.276000 
1 1 1   56   14    1 o   5.9770   0.4281   6.3130   0.5877   5.6410   0.6226 0.6722000 0.8562000 
1 1 1   56   14    2 o   1.9810   0.6172   2.3120   0.9592   1.6500   0.7771 0.6626000 1.234000 
1 1 1   56   14    3 o   5.5070   0.5042   5.6670   0.7232   5.3480   0.7027 0.3193000 1.008000 
1 1 1   56   14    4 o   2.4250   0.7390   1.9810   0.9410   2.8690   1.1400 -0.8885000 1.478000 
1 1 1   56   14    5 o   2.7690   0.7147   3.4070   1.0830   2.1310   0.9329 1.276000 1.429000 
1 1 1   56   14    6 o   5.9840   0.5369   5.6970   0.7899   6.2710   0.7275 -0.5737000 1.074000 
1 1 1   56   14    7 o   2.7680   0.7692   2.7210   1.0830   2.8150   1.0920 -0.9324000E-01 1.538000 
1 1 1   56   14    8 o   1.9410   0.6445   1.8270   0.8734   2.0550   0.9479 -0.2279000 1.289000 
1 1 1   56   14    9 f   1.8450   0.6416   1.9850   0.9606   1.7050   0.8507 0.2793000 1.283000 
1 1 1   56   14   10 o   1.9490   0.6486   2.1000   0.9640   1.7990   0.8680 0.3005000 1.297000 
1 1 1   56   14   11 o   2.1070   1.0170   2.1070   1.0170  ?   ?       ?      ? 
1 1 1   56   16    0 o   3.8380   0.6546   3.7680   0.9870   3.9070   0.8600 -0.1395000 1.309000 
1 1 1   56   16    1 o   2.8530   0.7133   2.7350   1.0340   2.9710   0.9834 -0.2356000 1.427000 
1 1 1   56   16    2 o   4.3070   0.7763   3.9330   1.1820   4.6810   1.0070 -0.7471000 1.553000 
1 1 1   56   16    3 o   5.0530   0.6895   4.4560   1.1810   5.6510   0.7117 -1.195000 1.379000 
1 1 1   56   16    4 o   1.9340   0.6228   2.4140   1.0160   1.4540   0.7210 0.9604000 1.246000 
1 1 1   56   16    5 o   2.8810   0.7081   2.0220   0.9281   3.7400   1.0700 -1.718000 1.416000 
1 1 1   56   16    6 o   3.8630   0.7359   3.1810   1.1170   4.5450   0.9579 -1.364000 1.472000 
1 1 1   56   16    7 o   2.3660   0.6913   1.8210   0.8682   2.9110   1.0760 -1.091000 1.383000 
1 1 1   56   16    8 o   2.2810   0.7431   2.0230   0.9753   2.5400   1.1210 -0.5169000 1.486000 
1 1 1   56   18    0 o   2.6360   0.7754   2.7700   1.1440   2.5020   1.0470 0.2679000 1.551000 
1 1 1   56   18    1 o   3.8570   0.7256   3.9390   1.0560   3.7740   0.9951 0.1653000 1.451000 
1 1 1   56   18    2 f   2.3870   0.6996   2.2970   0.9849   2.4780   0.9938 -0.1812000 1.399000 
1 1 1   56   18    3 o   1.6630   0.5648   1.5230   0.7503   1.8030   0.8445 -0.2802000 1.130000 
1 1 1   56   18    4 o   1.7510   0.5903   1.6470   0.8026   1.8540   0.8658 -0.2067000 1.181000 
1 1 1   56   18    5 f   2.3090   0.7418   2.1660   1.0260   2.4520   1.0720 -0.2861000 1.484000 
1 1 1   57    1    0 f   4.0130   0.6512   4.5000   0.8493   3.5260   0.9873 0.9743000 1.302000 
1 1 1   57    1    1 o   3.8770   0.5798   3.9580   0.7979   3.7970   0.8415 0.1608000 1.160000 
1 1 1   57    1    2 o   3.1990   0.6132   2.1830   0.9022   4.2160   0.8308 -2.034000 1.226000 
1 1 1   57    1    3 f   6.4560   0.3954   7.0240   0.5036   5.8890   0.6097 1.135000 0.7908000 
1 1 1   57    1    4 o   3.8710   0.6448   3.3260   0.9967   4.4160   0.8184 -1.090000 1.290000 
1 1 1   57    1    5 o   2.9820   0.7192   3.3060   1.0440   2.6580   0.9900 0.6477000 1.438000 
1 1 1   57    1    6 o   3.5390   0.7210   3.8030   1.0050   3.2750   1.0340 0.5273000 1.442000 
1 1 1   57    1    7 o   2.1680   0.6908   2.4500   1.0520   1.8860   0.8954 0.5641000 1.382000 
1 1 1   57    1    8 o   2.5360   0.7135   2.9710   1.0720   2.1000   0.9420 0.8714000 1.427000 
1 1 1   57    1    9 o   3.4280   0.7189   2.5640   1.0450   4.2920   0.9878 -1.728000 1.438000 
1 1 1   57    1   10 o   2.2970   0.7070   2.3940   1.0240   2.2000   0.9747 0.1939000 1.414000 
1 1 1   57    1   11 o   2.7220   0.8021   2.6900   1.1560   2.7550   1.1120 -0.6520000E-01 1.604000 
1 1 1   57    1   12 o   2.3200   0.7963   2.2090   1.0880   2.4310   1.1630 -0.2228000 1.593000 
1 1 1   57    1   13 o   2.4830   0.7511   2.2550   1.0140   2.7110   1.1090 -0.4565000 1.502000 
1 1 1   57    1   14 o   2.4080   0.7447   2.6790   1.1170   2.1380   0.9848 0.5407000 1.489000 
1 1 1   57    1   15 o   2.7080   0.7337   1.8100   0.8760   3.6060   1.1770 -1.796000 1.467000 
1 1 1   57    1   16 o   2.2010   0.7102   2.4010   1.0620   2.0000   0.9434 0.4009000 1.420000 
1 1 1   57    3    0 o   6.3490   0.5735   6.2440   0.9613   6.4540   0.6256 -0.2105000 1.147000 
1 1 1   57    3    1 o   3.2830   0.6289   2.6510   0.9591   3.9160   0.8138 -1.264000 1.258000 
1 1 1   57    3    2 o   2.1150   0.6280   2.6480   1.0090   1.5830   0.7485 1.065000 1.256000 
1 1 1   57    3    3 o   8.3250   0.3321   8.1720   0.5138   8.4780   0.4208 -0.3059000 0.6641000 
1 1 1   57    3    4 o   5.7810   0.4379   5.5410   0.6479   6.0200   0.5894 -0.4796000 0.8759000 
1 1 1   57    3    5 o   3.4570   0.6875   3.0180   1.0220   3.8960   0.9199 -0.8787000 1.375000 
1 1 1   57    3    6 o   2.3630   0.7031   2.6730   1.0710   2.0520   0.9116 0.6204000 1.406000 
1 1 1   57    3    7 o   3.5540   0.7320   3.0390   1.0760   4.0700   0.9925 -1.031000 1.464000 
1 1 1   57    3    8 o   3.0270   0.7964   3.2450   1.1150   2.8080   1.1370 0.4375000 1.593000 
1 1 1   57    3    9 f   3.1370   0.7962   3.6690   1.1980   2.6050   1.0500 1.064000 1.592000 
1 1 1   57    3   10 o   3.9190   0.7769   4.2540   1.0870   3.5840   1.1110 0.6700000 1.554000 
1 1 1   57    3   11 o   3.2600   0.8784   3.4170   1.2510   3.1030   1.2340 0.3143000 1.757000 
1 1 1   57    3   12 o   2.8620   0.8586   2.8750   1.2230   2.8490   1.2060 0.2662000E-01 1.717000 
1 1 1   57    3   13 o   2.0280   0.6709   2.2100   1.0050   1.8470   0.8888 0.3631000 1.342000 
1 1 1   57    3   14 o   2.9430   0.8135   2.9410   1.1510   2.9440   1.1500 -0.2789000E-02 1.627000 
1 1 1   57    3   15 o   2.5180   0.7570   2.1300   0.9882   2.9070   1.1470 -0.7765000 1.514000 
1 1 1   57    3   16 o   2.6180   0.7808   2.2720   1.0340   2.9640   1.1700 -0.6917000 1.562000 
1 1 1   57    5    0 o   4.7040   0.5115   4.9000   0.7495   4.5070   0.6963 0.3926000 1.023000 
1 1 1   57    5    1 o   4.9790   0.4687   5.0380   0.6874   4.9210   0.6374 0.1165000 0.9375000 
1 1 1   57    5    2 o   4.1360   0.6098   2.8060   1.0580   5.4660   0.6070 -2.660000 1.220000 
1 1 1   57    5    3 o   4.8660   0.5760   5.3830   0.8333   4.3490   0.7954 1.035000 1.152000 
1 1 1   57    5    4 o   5.0830   0.6217   4.0870   1.0920   6.0790   0.5947 -1.992000 1.243000 
1 1 1   57    5    5 o   4.7280   0.7344   4.5150   1.2620   4.9410   0.7523 -0.4263000 1.469000 
1 1 1   57    5    6 o   1.9370   0.6363   1.8860   0.9001   1.9870   0.8995 -0.1003000 1.273000 
1 1 1   57    5    7 o   2.6280   0.7446   3.2470   1.1760   2.0080   0.9135 1.239000 1.489000 
1 1 1   57    5    8 o   3.9880   0.8045   4.9270   1.0930   3.0500   1.1810 1.877000 1.609000 
1 1 1   57    5    9 o   2.2300   0.7063   2.0950   0.9831   2.3650   1.0140 -0.2695000 1.413000 
1 1 1   57    5   10 o   2.5890   0.7880   2.2920   1.0530   2.8860   1.1720 -0.5941000 1.576000 
1 1 1   57    5   11 o   3.2450   0.8194   3.3210   1.1660   3.1700   1.1520 0.1512000 1.639000 
1 1 1   57    5   12 o   2.7560   0.8439   2.6430   1.1850   2.8690   1.2010 -0.2259000 1.688000 
1 1 1   57    5   13 o   2.3640   0.7414   2.4870   1.0850   2.2410   1.0100 0.2455000 1.483000 
1 1 1   57    5   14 o   2.2540   0.7215   2.5290   1.1000   1.9790   0.9341 0.5500000 1.443000 
1 1 1   57    5   15 o   2.1620   0.7035   2.1470   0.9952   2.1770   0.9947 -0.2992000E-01 1.407000 
1 1 1   57    7    0 o   3.1140   0.7121   2.5270   1.1540   3.7020   0.8346 -1.175000 1.424000 
1 1 1   57    7    1 o   1.8410   0.5845   1.9960   0.8916   1.6870   0.7559 0.3096000 1.169000 
1 1 1   57    7    2 o   2.3860   0.6856   2.4530   1.0180   2.3190   0.9190 0.1338000 1.371000 
1 1 1   57    7    3 o   3.6600   0.7590   4.4270   1.1660   2.8920   0.9714 1.534000 1.518000 
1 1 1   57    7    4 o   3.8550   0.7082   3.4650   1.1430   4.2450   0.8370 -0.7801000 1.416000 
1 1 1   57    7    5 o   2.6840   0.7378   3.1140   1.1390   2.2530   0.9381 0.8613000 1.476000 
1 1 1   57    7    6 o   4.4250   0.7361   4.6530   1.0990   4.1980   0.9799 0.4558000 1.472000 
1 1 1   57    7    7 o   3.2140   0.8076   4.0230   1.2070   2.4050   1.0730 1.618000 1.615000 
1 1 1   57    7    8 o   3.8850   0.8162   3.7510   1.2330   4.0200   1.0690 -0.2693000 1.632000 
1 1 1   57    7    9 o   2.7880   0.8138   2.4320   1.0890   3.1430   1.2090 -0.7105000 1.628000 
1 1 1   57    7   10 o   3.0390   0.8346   3.3820   1.2590   2.6960   1.0960 0.6853000 1.669000 
1 1 1   57    7   11 o   2.5530   0.7823   2.7680   1.1790   2.3390   1.0280 0.4289000 1.565000 
1 1 1   57    7   12 o   2.8520   0.9072   3.1510   1.4170   2.5530   1.1330 0.5983000 1.814000 
1 1 1   57    7   13 o   2.1860   0.7261   2.5160   1.1480   1.8570   0.8893 0.6587000 1.452000 
1 1 1   57    7   14 o   1.9000   0.6435   1.7440   0.8582   2.0550   0.9590 -0.3107000 1.287000 
1 1 1   57    7   15 o   2.2260   1.1270   2.2260   1.1270  ?   ?       ?      ? 
1 1 1   57    9    0 o   1.9310   0.5938   1.8330   0.8211   2.0290   0.8581 -0.1961000 1.188000 
1 1 1   57    9    1 o   2.2670   0.6401   1.9920   0.8683   2.5420   0.9408 -0.5506000 1.280000 
1 1 1   57    9    2 o   1.7480   0.5633   1.7390   0.7976   1.7570   0.7956 -0.1789000E-01 1.127000 
1 1 1   57    9    3 o   9.3360   0.2871   9.3040   0.4033   9.3680   0.4087 -0.6333000E-01 0.5742000 
1 1 1   57    9    4 o   5.7590   0.4540   5.4320   0.6821   6.0860   0.5994 -0.6540000 0.9080000 
1 1 1   57    9    5 o   3.3170   0.7072   3.7470   0.9803   2.8860   1.0190 0.8606000 1.414000 
1 1 1   57    9    6 o   2.3320   0.6692   1.6490   0.7924   3.0160   1.0790 -1.367000 1.338000 
1 1 1   57    9    7 o   2.9250   0.8438   3.2150   1.1820   2.6340   1.2040 0.5811000 1.688000 
1 1 1   57    9    8 f   3.0970   0.7501   3.5530   1.0510   2.6410   1.0710 0.9124000 1.500000 
1 1 1   57    9    9 o   2.3350   0.6850   1.5950   0.7820   3.0760   1.1250 -1.481000 1.370000 
1 1 1   57    9   10 o   3.6220   0.7327   2.4650   1.0490   4.7790   1.0230 -2.315000 1.465000 
1 1 1   57    9   11 o   2.5510   0.8002   2.7100   1.1740   2.3920   1.0880 0.3183000 1.600000 
1 1 1   57    9   12 o   2.1570   0.6915   1.7480   0.8534   2.5660   1.0880 -0.8174000 1.383000 
1 1 1   57    9   13 f   2.6560   0.7862   2.8130   1.1450   2.4990   1.0780 0.3143000 1.572000 
1 1 1   57    9   14 o   2.4600   1.1400   2.4600   1.1400  ?   ?       ?      ? 
1 1 1   57   11    0 o   8.9770   0.2638   9.2430   0.3709   8.7110   0.3753 0.5318000 0.5277000 
1 1 1   57   11    1 o   4.7910   0.5001   5.4150   0.6234   4.1660   0.7822 1.250000 1.000000 
1 1 1   57   11    2 o   9.1560   0.2764   9.1580   0.4079   9.1550   0.3731 0.3179000E-02 0.5528000 
1 1 1   57   11    3 o   1.9780   0.6148   1.9480   0.8718   2.0090   0.8672 -0.6015000E-01 1.230000 
1 1 1   57   11    4 o   2.5680   0.6946   2.9060   1.0140   2.2300   0.9500 0.6766000 1.389000 
1 1 1   57   11    5 o   2.2820   0.6998   2.3010   0.9676   2.2620   1.0110 0.3913000E-01 1.400000 
1 1 1   57   11    6 o   2.8770   0.8305   2.8950   1.1680   2.8600   1.1810 0.3452000E-01 1.661000 
1 1 1   57   11    7 o   2.1660   0.6794   2.2780   0.9819   2.0530   0.9392 0.2241000 1.359000 
1 1 1   57   11    8 o   2.7700   0.7727   2.7520   1.0870   2.7880   1.0980 -0.3574000E-01 1.545000 
1 1 1   57   11    9 o   4.5700   0.7343   4.8860   0.9799   4.2540   1.0940 0.6319000 1.469000 
1 1 1   57   11   10 o   2.4880   0.7509   2.5450   1.0690   2.4300   1.0540 0.1155000 1.502000 
1 1 1   57   11   11 o   2.3640   0.7544   2.9910   1.2390   1.7360   0.8616 1.254000 1.509000 
1 1 1   57   11   12 o   1.8770   0.6375   1.6590   0.8323   2.0940   0.9657 -0.4354000 1.275000 
1 1 1   57   13    0 o   5.2570   0.4668   5.5700   0.6474   4.9440   0.6725 0.6260000 0.9335000 
1 1 1   57   13    1 o   6.3040   0.3938   6.4170   0.5713   6.1910   0.5421 0.2260000 0.7876000 
1 1 1   57   13    2 o   3.0880   0.6754   2.4530   0.9730   3.7230   0.9368 -1.270000 1.351000 
1 1 1   57   13    3 o   2.0930   0.6586   2.1840   0.9424   2.0010   0.9202 0.1831000 1.317000 
1 1 1   57   13    4 o   2.6570   0.6501   3.6340   1.0260   1.6800   0.7985 1.954000 1.300000 
1 1 1   57   13    5 o   2.2780   0.7216   2.4820   1.0810   2.0740   0.9559 0.4084000 1.443000 
1 1 1   57   13    6 o   3.0890   0.7696   2.7540   1.0540   3.4250   1.1220 -0.6711000 1.539000 
1 1 1   57   13    7 o   2.1070   0.6759   2.0320   0.9309   2.1830   0.9803 -0.1511000 1.352000 
1 1 1   57   13    8 o   3.1620   0.7848   3.5120   1.1140   2.8130   1.1060 0.6997000 1.570000 
1 1 1   57   13    9 o   3.7200   0.7848   4.3420   1.0710   3.0980   1.1480 1.244000 1.570000 
1 1 1   57   13   10 o   2.0210   0.6883   2.1150   1.0080   1.9270   0.9375 0.1878000 1.377000 
1 1 1   57   13   11 o   1.9640   0.6779   2.1680   1.0320   1.7610   0.8788 0.4070000 1.356000 
1 1 1   57   15    0 o   2.1000   0.6300   2.5040   0.9860   1.6950   0.7846 0.8097000 1.260000 
1 1 1   57   15    1 o   3.5150   0.6499   2.7330   1.0200   4.2980   0.8061 -1.565000 1.300000 
1 1 1   57   15    2 o   3.3730   0.7181   3.2690   1.0570   3.4780   0.9720 -0.2094000 1.436000 
1 1 1   57   15    3 o   5.1260   0.7102   4.3630   1.1650   5.8900   0.8130 -1.527000 1.420000 
1 1 1   57   15    4 f   6.0970   0.5787   6.0350   0.9398   6.1590   0.6757 -0.1237000 1.157000 
1 1 1   57   15    5 o   2.5380   0.7272   2.3010   0.9961   2.7750   1.0600 -0.4747000 1.454000 
1 1 1   57   15    6 o   1.9760   0.6435   1.9520   0.9106   1.9990   0.9096 -0.4728000E-01 1.287000 
1 1 1   57   15    7 o   1.4570   0.5148   1.4570   0.7271   1.4560   0.7290 0.3145000E-03 1.030000 
1 1 1   57   15    8 f   1.6010   0.8046   1.6010   0.8046  ?   ?       ?      ? 
1 1 1   57   15    9 o   2.5330   1.2380   2.5330   1.2380  ?   ?       ?      ? 
1 1 1   57   17    0 o   2.8900   0.7331   2.2600   0.9653   3.5190   1.1040 -1.259000 1.466000 
1 1 1   57   17    1 o   4.8450   0.7291   5.3020   1.0050   4.3880   1.0560 0.9142000 1.458000 
1 1 1   57   17    2 o   3.8640   0.7170   4.1060   1.0200   3.6230   1.0080 0.4826000 1.434000 
1 1 1   57   17    3 o   2.3260   0.6529   1.5880   0.7769   3.0640   1.0500 -1.476000 1.306000 
1 1 1   57   17    4 o   2.0710   0.6514   1.8590   0.8732   2.2830   0.9668 -0.4234000 1.303000 
1 1 1   57   17    5 o   1.8330   0.6122   1.9770   0.9168   1.6880   0.8114 0.2883000 1.224000 
1 1 1   57   17    6 o   2.4870   1.2120   2.4870   1.2120  ?   ?       ?      ? 
1 1 1   57   19    0 o   1.9610   0.6362   2.0560   0.9347   1.8660   0.8633 0.1901000 1.272000 
1 1 1   57   19    1 o   2.3480   1.1600   2.3480   1.1600  ?   ?       ?      ? 
1 1 1   58    0    0 o   1.7690   0.9857   1.7690   0.9857   1.7690   0.9857 0.000000 0.000000 
1 1 1   58    0    1 o   4.7980   0.6785   4.7980   0.6785   4.7980   0.6785 0.000000 0.000000 
1 1 1   58    0    2 o   5.4570   0.6233   5.4570   0.6233   5.4570   0.6233 0.000000 0.000000 
1 1 1   58    0    3 o   8.4920   0.4439   8.4920   0.4439   8.4920   0.4439 0.000000 0.000000 
1 1 1   58    0    4 o   4.6560   0.8884   4.6560   0.8884   4.6560   0.8884 0.000000 0.000000 
1 1 1   58    0    5 o   3.3090   1.2150   3.3090   1.2150   3.3090   1.2150 0.000000 0.000000 
1 1 1   58    0    6 o   1.5290   1.0030   1.5290   1.0030   1.5290   1.0030 0.000000 0.000000 
1 1 1   58    0    7 f   3.8700   1.3590   3.8700   1.3590   3.8700   1.3590 0.000000 0.000000 
1 1 1   58    0    8 o   1.6030   1.0510   1.6030   1.0510   1.6030   1.0510 0.000000 0.000000 
1 1 1   58    0    9 o   2.1320   1.2320   2.1320   1.2320   2.1320   1.2320 0.000000 0.000000 
1 1 1   58    0   10 o   1.5370   1.0330   1.5370   1.0330   1.5370   1.0330 0.000000 0.000000 
1 1 1   58    0   11 o   1.4010   0.9709   1.4010   0.9709   1.4010   0.9709 0.000000 0.000000 
1 1 1   58    0   12 o   1.7360   1.2240   1.7360   1.2240   1.7360   1.2240 0.000000 0.000000 
1 1 1   58    0   13 o   1.4360   0.9923   1.4360   0.9923   1.4360   0.9923 0.000000 0.000000 
1 1 1   58    0   14 o   1.7640   1.1480   1.7640   1.1480   1.7640   1.1480 0.000000 0.000000 
1 1 1   58    0   15 o   1.8220   1.1710   1.8220   1.1710   1.8220   1.1710 0.000000 0.000000 
1 1 1   58    2    0 o   4.2310   0.6390   3.1870   1.0380   5.2750   0.7456 -2.088000 1.278000 
1 1 1   58    2    1 o   3.9630   0.5688   3.9930   0.7776   3.9330   0.8303 0.6081000E-01 1.138000 
1 1 1   58    2    2 o   4.2180   0.5593   4.3500   0.7603   4.0860   0.8205 0.2638000 1.119000 
1 1 1   58    2    3 o   5.8800   0.4242   6.1560   0.5766   5.6050   0.6223 0.5511000 0.8483000 
1 1 1   58    2    4 o   3.7630   0.6383   4.5820   0.8050   2.9430   0.9909 1.639000 1.277000 
1 1 1   58    2    5 o   2.1980   0.6616   2.4130   0.9862   1.9830   0.8822 0.4305000 1.323000 
1 1 1   58    2    6 o   2.7950   0.7308   3.4580   1.1210   2.1310   0.9383 1.327000 1.462000 
1 1 1   58    2    7 o   2.5660   0.7230   3.0750   1.0840   2.0560   0.9567 1.019000 1.446000 
1 1 1   58    2    8 o   4.6980   0.6584   4.6760   0.9485   4.7200   0.9134 -0.4336000E-01 1.317000 
1 1 1   58    2    9 o   2.8180   0.7386   3.3810   1.1040   2.2540   0.9821 1.127000 1.477000 
1 1 1   58    2   10 o   5.3500   0.6270   5.1070   0.9477   5.5940   0.8213 -0.4874000 1.254000 
1 1 1   58    2   11 o   3.1380   0.8722   3.0170   1.2130   3.2590   1.2530 -0.2419000 1.744000 
1 1 1   58    2   12 o   2.3910   0.7731   2.5160   1.1330   2.2660   1.0520 0.2509000 1.546000 
1 1 1   58    2   13 o   1.9520   0.6549   1.9310   0.9195   1.9740   0.9326 -0.4355000E-01 1.310000 
1 1 1   58    2   14 o   1.9780   0.6601   2.1900   1.0020   1.7650   0.8593 0.4253000 1.320000 
1 1 1   58    2   15 o   2.1180   0.6908   2.0050   0.9446   2.2310   1.0080 -0.2256000 1.382000 
1 1 1   58    4    0 o   4.1270   0.7787   3.6590   1.3220   4.5940   0.8238 -0.9353000 1.557000 
1 1 1   58    4    1 o   2.2150   0.6075   1.6760   0.7846   2.7550   0.9277 -1.080000 1.215000 
1 1 1   58    4    2 o   2.9670   0.7004   3.3390   1.0380   2.5940   0.9407 0.7444000 1.401000 
1 1 1   58    4    3 o   4.2650   0.6417   3.6780   1.0650   4.8520   0.7156 -1.174000 1.283000 
1 1 1   58    4    4 o   3.7280   0.7246   4.1330   1.0690   3.3240   0.9787 0.8091000 1.449000 
1 1 1   58    4    5 o   2.8220   0.7480   2.5180   1.1130   3.1270   1.0000 -0.6085000 1.496000 
1 1 1   58    4    6 o   3.1840   0.7695   2.9200   1.1320   3.4490   1.0430 -0.5293000 1.539000 
1 1 1   58    4    7 o   3.0830   0.7563   3.2300   1.0660   2.9350   1.0730 0.2955000 1.513000 
1 1 1   58    4    8 o   3.3770   0.8150   3.4060   1.0970   3.3490   1.2060 0.5701000E-01 1.630000 
1 1 1   58    4    9 o   2.9160   0.7795   3.0570   1.1200   2.7760   1.0850 0.2802000 1.559000 
1 1 1   58    4   10 o   4.8020   0.7612   6.5510   0.9198   3.0520   1.2130 3.499000 1.522000 
1 1 1   58    4   11 o   2.4530   0.7350   2.9710   1.1470   1.9360   0.9190 1.035000 1.470000 
1 1 1   58    4   12 o   2.2340   0.7445   2.4800   1.1370   1.9880   0.9615 0.4918000 1.489000 
1 1 1   58    4   13 o   1.9320   0.6488   1.8030   0.8725   2.0610   0.9605 -0.2576000 1.298000 
1 1 1   58    4   14 o   1.9350   0.6515   1.8260   0.8851   2.0430   0.9561 -0.2179000 1.303000 
1 1 1   58    4   15 o   1.6290   0.5706   1.5490   0.7749   1.7090   0.8378 -0.1605000 1.141000 
1 1 1   58    6    0 o   5.5010   0.6906   4.5890   1.2870   6.4140   0.5007 -1.825000 1.381000 
1 1 1   58    6    1 o   2.2480   0.6496   2.5090   0.9790   1.9870   0.8542 0.5212000 1.299000 
1 1 1   58    6    2 o   2.1010   0.6425   2.0360   0.9195   2.1660   0.8975 -0.1301000 1.285000 
1 1 1   58    6    3 o   4.0810   0.6738   3.7950   1.0780   4.3680   0.8087 -0.5735000 1.348000 
1 1 1   58    6    4 f   2.4290   0.7456   2.9800   1.2210   1.8790   0.8559 1.101000 1.491000 
1 1 1   58    6    5 o   2.2050   0.6896   2.5120   1.0760   1.8970   0.8630 0.6156000 1.379000 
1 1 1   58    6    6 o   2.8890   0.7754   2.9980   1.1580   2.7800   1.0310 0.2187000 1.551000 
1 1 1   58    6    7 o   2.9470   0.8134   2.5910   1.1080   3.3030   1.1910 -0.7119000 1.627000 
1 1 1   58    6    8 o   3.6670   0.8181   4.0250   1.1950   3.3080   1.1180 0.7162000 1.636000 
1 1 1   58    6    9 o   2.1380   0.7071   2.1180   0.9924   2.1580   1.0080 -0.3973000E-01 1.414000 
1 1 1   58    6   10 o   2.6030   0.7608   3.3350   1.2350   1.8700   0.8885 1.465000 1.522000 
1 1 1   58    6   11 o   2.4680   0.7609   2.9820   1.2120   1.9550   0.9195 1.027000 1.522000 
1 1 1   58    6   12 o   2.3000   0.7556   2.8910   1.2490   1.7090   0.8504 1.183000 1.511000 
1 1 1   58    6   13 o   2.1440   0.6999   2.3240   1.0500   1.9630   0.9253 0.3614000 1.400000 
1 1 1   58    6   14 o   1.8840   0.6422   1.9740   0.9458   1.7940   0.8689 0.1798000 1.284000 
1 1 1   58    8    0 f   2.4390   0.7499   2.6260   1.1980   2.2510   0.9025 0.3750000 1.500000 
1 1 1   58    8    1 o   2.8900   0.6672   2.4560   1.0420   3.3250   0.8335 -0.8689000 1.334000 
1 1 1   58    8    2 o   3.7620   0.7058   3.1880   1.1740   4.3360   0.7835 -1.147000 1.412000 
1 1 1   58    8    3 o   2.9310   0.7232   2.5330   1.0610   3.3280   0.9832 -0.7950000 1.446000 
1 1 1   58    8    4 o   2.4260   0.6793   2.1530   0.9229   2.7000   0.9971 -0.5474000 1.359000 
1 1 1   58    8    5 o   7.0330   0.3840   6.6190   0.5610   7.4480   0.5244 -0.8290000 0.7679000 
1 1 1   58    8    6 o   2.1680   0.6519   2.5640   0.9933   1.7730   0.8446 0.7904000 1.304000 
1 1 1   58    8    7 o   2.3720   0.7435   2.6230   1.1040   2.1210   0.9967 0.5020000 1.487000 
1 1 1   58    8    8 o   5.0110   0.6976   4.7440   0.8920   5.2780   1.0730 -0.5340000 1.395000 
1 1 1   58    8    9 o   4.8160   0.6905   5.0760   0.9140   4.5560   1.0350 0.5199000 1.381000 
1 1 1   58    8   10 o   2.1960   0.6999   2.3200   1.0220   2.0720   0.9571 0.2473000 1.400000 
1 1 1   58    8   11 o   2.7860   0.8055   3.5270   1.2790   2.0460   0.9798 1.482000 1.611000 
1 1 1   58    8   12 o   2.2500   0.7237   1.9710   0.9655   2.5290   1.0780 -0.5576000 1.447000 
1 1 1   58    8   13 o   2.3840   0.7633   2.5060   1.1380   2.2620   1.0170 0.2443000 1.527000 
1 1 1   58   10    0 o   4.8890   0.4496   4.6390   0.6776   5.1380   0.5912 -0.4988000 0.8993000 
1 1 1   58   10    1 o   1.9310   0.5707   1.4570   0.7039   2.4050   0.8985 -0.9477000 1.141000 
1 1 1   58   10    2 o   2.5440   0.6625   2.3940   0.9438   2.6930   0.9300 -0.2992000 1.325000 
1 1 1   58   10    3 o   5.8040   0.4281   5.4260   0.6614   6.1820   0.5436 -0.7564000 0.8561000 
1 1 1   58   10    4 o   5.8950   0.4574   6.5950   0.5681   5.1940   0.7170 1.401000 0.9147000 
1 1 1   58   10    5 o   2.4510   0.6911   2.7860   1.0270   2.1150   0.9248 0.6713000 1.382000 
1 1 1   58   10    6 o   2.6080   0.8192   2.4750   1.0820   2.7410   1.2300 -0.2666000 1.638000 
1 1 1   58   10    7 o   1.8410   0.6202   1.6070   0.7999   2.0740   0.9480 -0.4669000 1.240000 
1 1 1   58   10    8 o   3.7110   0.7871   3.3070   1.1190   4.1140   1.1070 -0.8068000 1.574000 
1 1 1   58   10    9 o   2.7200   0.7291   3.4810   1.1280   1.9600   0.9240 1.521000 1.458000 
1 1 1   58   10   10 o   2.4130   0.7357   2.2890   1.0080   2.5380   1.0720 -0.2486000 1.471000 
1 1 1   58   10   11 o   2.3110   0.7568   2.2620   1.0570   2.3600   1.0830 -0.9809000E-01 1.514000 
1 1 1   58   10   12 o   1.9230   0.6456   2.0730   0.9651   1.7730   0.8576 0.2999000 1.291000 
1 1 1   58   12    0 o   5.9490   0.3914   5.8910   0.5816   6.0070   0.5240 -0.1159000 0.7829000 
1 1 1   58   12    1 o   2.4120   0.6408   3.0100   0.9846   1.8140   0.8206 1.196000 1.282000 
1 1 1   58   12    2 o   2.0480   0.6275   2.2270   0.9345   1.8700   0.8376 0.3563000 1.255000 
1 1 1   58   12    3 o   2.9250   0.7046   3.3160   1.0150   2.5340   0.9780 0.7815000 1.409000 
1 1 1   58   12    4 f   2.2470   0.6744   2.4040   0.9882   2.0890   0.9179 0.3155000 1.349000 
1 1 1   58   12    5 o   2.8150   0.8113   2.3630   1.0460   3.2670   1.2400 -0.9041000 1.623000 
1 1 1   58   12    6 o   2.7090   0.7789   2.8410   1.1430   2.5780   1.0580 0.2628000 1.558000 
1 1 1   58   12    7 o   2.6810   0.7113   1.9000   0.8877   3.4620   1.1120 -1.562000 1.423000 
1 1 1   58   12    8 o   1.9570   0.6463   1.8400   0.8766   2.0730   0.9499 -0.2335000 1.293000 
1 1 1   58   12    9 o   3.9510   0.7666   3.1880   1.1340   4.7150   1.0320 -1.527000 1.533000 
1 1 1   58   12   10 o   2.1850   0.7254   1.9950   0.9640   2.3740   1.0840 -0.3789000 1.451000 
1 1 1   58   12   11 o   3.3210   0.8296   3.6510   1.1830   2.9900   1.1640 0.6608000 1.659000 
1 1 1   58   14    0 o   2.7470   0.6616   2.0990   0.9065   3.3960   0.9639 -1.297000 1.323000 
1 1 1   58   14    1 o   3.2620   0.6989   2.9720   1.0170   3.5520   0.9591 -0.5804000 1.398000 
1 1 1   58   14    2 o   5.4590   0.4873   5.5030   0.7261   5.4150   0.6500 0.8826000E-01 0.9745000 
1 1 1   58   14    3 o   4.7890   0.5993   5.8020   0.7251   3.7770   0.9545 2.024000 1.199000 
1 1 1   58   14    4 o   3.2250   0.8414   3.1860   1.2080   3.2640   1.1720 -0.7781000E-01 1.683000 
1 1 1   58   14    5 o   2.0220   0.6473   2.2190   0.9731   1.8260   0.8537 0.3928000 1.295000 
1 1 1   58   14    6 o   2.1440   0.6714   2.4540   1.0320   1.8340   0.8589 0.6197000 1.343000 
1 1 1   58   14    7 o   2.0960   0.6735   1.8510   0.8788   2.3410   1.0210 -0.4894000 1.347000 
1 1 1   58   14    8 o   1.7990   0.6104   1.7090   0.8277   1.8890   0.8975 -0.1801000 1.221000 
1 1 1   58   14    9 o   2.4420   0.7844   2.5500   1.1370   2.3340   1.0810 0.2154000 1.569000 
1 1 1   58   16    0 o   2.1040   0.6350   1.8730   0.8643   2.3360   0.9305 -0.4629000 1.270000 
1 1 1   58   16    1 o   4.8910   0.5533   4.7710   0.8471   5.0110   0.7120 -0.2394000 1.107000 
1 1 1   58   16    2 o   4.8930   0.7339   5.7580   0.9527   4.0290   1.1170 1.729000 1.468000 
1 1 1   58   16    3 o   1.7950   0.6103   1.9300   0.9261   1.6600   0.7952 0.2703000 1.221000 
1 1 1   58   16    4 o   2.3130   0.6891   2.0770   0.9368   2.5480   1.0110 -0.4705000 1.378000 
1 1 1   58   16    5 f   1.7980   0.6017   1.7500   0.8380   1.8470   0.8637 -0.9672000E-01 1.203000 
1 1 1   58   16    6 o   2.0640   0.6651   2.2630   1.0030   1.8650   0.8740 0.3978000 1.330000 
1 1 1   58   18    0 o   1.8520   0.6278   2.0040   0.9455   1.7010   0.8262 0.3029000 1.256000 
1 1 1   58   18    1 o   1.6350   0.5578   1.7490   0.8340   1.5200   0.7409 0.2297000 1.116000 
1 1 1   58   18    2 f   2.3390   0.7539   1.9850   0.9557   2.6920   1.1660 -0.7073000 1.508000 
1 1 1   59    1    0 o   5.3460   0.4934   5.3800   0.7106   5.3110   0.6846 0.6900000E-01 0.9867000 
1 1 1   59    1    1 o   1.6840   0.5482   1.6310   0.7572   1.7380   0.7930 -0.1075000 1.096000 
1 1 1   59    1    2 o   2.4960   0.6694   2.5230   0.9404   2.4690   0.9528 0.5421000E-01 1.339000 
1 1 1   59    1    3 o   4.1540   0.6176   3.6570   0.9386   4.6510   0.8028 -0.9938000 1.235000 
1 1 1   59    1    4 o   3.5470   0.6660   4.2730   0.8864   2.8210   0.9942 1.451000 1.332000 
1 1 1   59    1    5 o   2.1940   0.6573   1.9320   0.8823   2.4570   0.9746 -0.5247000 1.315000 
1 1 1   59    1    6 o   3.4160   0.7018   4.2300   0.9610   2.6010   1.0230 1.628000 1.404000 
1 1 1   59    1    7 o   3.0840   0.7549   2.1850   0.9878   3.9820   1.1420 -1.797000 1.510000 
1 1 1   59    1    8 o   2.0670   0.6628   2.0040   0.9173   2.1300   0.9571 -0.1260000 1.326000 
1 1 1   59    1    9 o   2.5230   0.7286   2.1220   0.9546   2.9240   1.1010 -0.8015000 1.457000 
1 1 1   59    1   10 o   3.5950   0.7776   4.2010   1.0850   2.9890   1.1140 1.212000 1.555000 
1 1 1   59    1   11 o   2.1360   0.7132   2.2540   1.0460   2.0180   0.9697 0.2360000 1.426000 
1 1 1   59    1   12 o   2.2850   0.7416   1.8280   0.9018   2.7410   1.1770 -0.9132000 1.483000 
1 1 1   59    1   13 o   2.1110   0.6915   2.0830   0.9701   2.1400   0.9857 -0.5639000E-01 1.383000 
1 1 1   59    1   14 o   2.2200   0.7100   1.9720   0.9345   2.4680   1.0690 -0.4957000 1.420000 
1 1 1   59    3    0 o   2.5030   0.7484   2.4360   1.0960   2.5700   1.0200 -0.1338000 1.497000 
1 1 1   59    3    1 o   2.0910   0.6246   2.2340   0.9188   1.9470   0.8463 0.2863000 1.249000 
1 1 1   59    3    2 o   4.6990   0.5488   4.8010   0.8101   4.5960   0.7406 0.2052000 1.098000 
1 1 1   59    3    3 o   6.2310   0.3946   6.1410   0.5595   6.3220   0.5566 -0.1809000 0.7892000 
1 1 1   59    3    4 o   2.6400   0.6874   3.0520   1.0090   2.2280   0.9338 0.8244000 1.375000 
1 1 1   59    3    5 o   1.5270   0.5254   1.5540   0.7556   1.5000   0.7303 0.5481000E-01 1.051000 
1 1 1   59    3    6 o   3.0280   0.7281   2.3590   1.0290   3.6980   1.0300 -1.339000 1.456000 
1 1 1   59    3    7 o   2.2420   0.7024   2.4280   1.0270   2.0550   0.9589 0.3731000 1.405000 
1 1 1   59    3    8 o   2.6860   0.6713   1.6660   0.8100   3.7060   1.0710 -2.040000 1.343000 
1 1 1   59    3    9 o   3.6920   0.7962   3.7640   1.1350   3.6200   1.1160 0.1440000 1.592000 
1 1 1   59    3   10 o   3.2150   0.8773   3.1300   1.2370   3.2990   1.2450 -0.1693000 1.755000 
1 1 1   59    3   11 o   3.2650   0.8783   2.7690   1.1890   3.7610   1.2930 -0.9921000 1.757000 
1 1 1   59    3   12 o   2.4260   0.7780   2.1200   1.0140   2.7320   1.1810 -0.6119000 1.556000 
1 1 1   59    3   13 o   3.3800   0.8149   3.8760   1.1600   2.8840   1.1450 0.9920000 1.630000 
1 1 1   59    3   14 o   1.6900   0.5874   1.7850   0.8681   1.5950   0.7917 0.1906000 1.175000 
1 1 1   59    5    0 o   6.0710   0.6102   6.1040   1.1030   6.0370   0.5226 0.6714000E-01 1.220000 
1 1 1   59    5    1 o   2.1220   0.6332   2.0380   0.8950   2.2060   0.8959 -0.1685000 1.266000 
1 1 1   59    5    2 f   2.9920   0.7185   3.2460   1.0660   2.7390   0.9632 0.5070000 1.437000 
1 1 1   59    5    3 o   3.5030   0.7352   3.5220   1.1210   3.4840   0.9516 0.3766000E-01 1.470000 
1 1 1   59    5    4 o   3.4190   0.7252   2.6300   1.1550   4.2070   0.8776 -1.577000 1.450000 
1 1 1   59    5    5 o   3.4640   0.8006   3.3100   1.2590   3.6180   0.9888 -0.3080000 1.601000 
1 1 1   59    5    6 o   2.4290   0.7269   2.4140   1.0520   2.4440   1.0030 -0.2967000E-01 1.454000 
1 1 1   59    5    7 o   2.7740   0.7870   2.2020   1.0050   3.3470   1.2120 -1.144000 1.574000 
1 1 1   59    5    8 o   2.6080   0.7642   2.9530   1.1650   2.2630   0.9887 0.6900000 1.528000 
1 1 1   59    5    9 o   4.2390   0.7987   4.9720   1.1180   3.5070   1.1410 1.465000 1.597000 
1 1 1   59    5   10 o   2.7120   0.8036   3.1760   1.2240   2.2490   1.0410 0.9278000 1.607000 
1 1 1   59    5   11 o   1.8050   0.6152   1.7010   0.8329   1.9100   0.9056 -0.2093000 1.230000 
1 1 1   59    5   12 o   2.8900   0.8677   2.8580   1.2380   2.9220   1.2160 -0.6429000E-01 1.735000 
1 1 1   59    5   13 o   2.0900   0.6867   1.9940   0.9455   2.1860   0.9962 -0.1925000 1.373000 
1 1 1   59    5   14 o   1.9080   0.6470   2.0150   0.9572   1.8010   0.8707 0.2144000 1.294000 
1 1 1   59    7    0 o   2.2930   0.6618   1.8810   0.9325   2.7060   0.9394 -0.8246000 1.324000 
1 1 1   59    7    1 o   2.5430   0.6131   1.9300   0.8827   3.1550   0.8511 -1.226000 1.226000 
1 1 1   59    7    2 o   1.8490   0.6154   2.0120   0.9462   1.6850   0.7870 0.3272000 1.231000 
1 1 1   59    7    3 f   4.3130   0.7208   4.2820   1.1900   4.3440   0.8134 -0.6137000E-01 1.442000 
1 1 1   59    7    4 o   3.9530   0.7220   4.3980   1.0640   3.5080   0.9763 0.8892000 1.444000 
1 1 1   59    7    5 o   3.8650   0.7442   4.1130   1.1100   3.6180   0.9909 0.4957000 1.488000 
1 1 1   59    7    6 o   3.2640   0.8005   3.3160   1.2040   3.2130   1.0550 0.1030000 1.601000 
1 1 1   59    7    7 o   2.4360   0.7658   2.4010   1.0720   2.4700   1.0940 -0.6848000E-01 1.532000 
1 1 1   59    7    8 o   3.6810   0.8469   2.9590   1.1990   4.4040   1.1960 -1.445000 1.694000 
1 1 1   59    7    9 o   2.5060   0.7566   2.1840   1.0250   2.8280   1.1130 -0.6440000 1.513000 
1 1 1   59    7   10 o   3.3210   0.7044   1.9650   0.9505   4.6770   1.0400 -2.712000 1.409000 
1 1 1   59    7   11 o   2.2690   0.7507   2.3350   1.0900   2.2020   1.0330 0.1329000 1.501000 
1 1 1   59    7   12 o   2.5990   0.8462   2.8970   1.3450   2.3010   1.0270 0.5961000 1.692000 
1 1 1   59    7   13 o   2.2410   0.7286   2.1880   1.0340   2.2940   1.0270 -0.1059000 1.457000 
1 1 1   59    9    0 o   5.1040   0.4626   5.1480   0.6644   5.0610   0.6439 0.8763000E-01 0.9252000 
1 1 1   59    9    1 o   2.1000   0.6308   2.2070   0.9156   1.9920   0.8679 0.2154000 1.262000 
1 1 1   59    9    2 o   2.2630   0.6400   2.1910   0.9002   2.3340   0.9099 -0.1432000 1.280000 
1 1 1   59    9    3 o   2.2170   0.6494   2.4360   0.9550   1.9990   0.8802 0.4373000 1.299000 
1 1 1   59    9    4 o   3.5610   0.6858   3.7250   0.9635   3.3960   0.9761 0.3296000 1.372000 
1 1 1   59    9    5 o   6.5700   0.4271   6.4550   0.6155   6.6840   0.5924 -0.2293000 0.8542000 
1 1 1   59    9    6 o   4.2150   0.6746   3.1580   1.0510   5.2720   0.8464 -2.115000 1.349000 
1 1 1   59    9    7 o   2.1550   0.7236   2.1690   0.9999   2.1410   1.0460 0.2874000E-01 1.447000 
1 1 1   59    9    8 o   1.7480   0.5924   1.9420   0.9000   1.5550   0.7706 0.3867000 1.185000 
1 1 1   59    9    9 o   2.8840   0.7752   2.4760   1.0450   3.2920   1.1450 -0.8164000 1.550000 
1 1 1   59    9   10 o   2.6920   0.7362   1.9120   0.9007   3.4720   1.1650 -1.560000 1.472000 
1 1 1   59    9   11 o   2.2550   0.7435   2.5470   1.1430   1.9620   0.9515 0.5849000 1.487000 
1 1 1   59    9   12 o   1.9960   0.6655   2.0700   0.9660   1.9220   0.9157 0.1475000 1.331000 
1 1 1   59   11    0 o   3.4820   0.6029   2.7150   0.9412   4.2500   0.7538 -1.535000 1.206000 
1 1 1   59   11    1 f   3.8600   0.5924   2.9650   0.9675   4.7540   0.6838 -1.789000 1.185000 
1 1 1   59   11    2 o   2.8270   0.6859   2.7970   0.9881   2.8570   0.9516 -0.5984000E-01 1.372000 
1 1 1   59   11    3 o   3.7130   0.6443   4.2280   0.8813   3.1980   0.9400 1.030000 1.289000 
1 1 1   59   11    4 o   2.2730   0.6878   2.2180   0.9478   2.3290   0.9970 -0.1111000 1.376000 
1 1 1   59   11    5 f   1.6150   0.5545   1.6760   0.8019   1.5530   0.7661 0.1232000 1.109000 
1 1 1   59   11    6 o   2.0660   0.6871   2.2920   1.0390   1.8410   0.8998 0.4510000 1.374000 
1 1 1   59   11    7 o   2.7010   0.7493   2.3490   0.9991   3.0530   1.1170 -0.7038000 1.499000 
1 1 1   59   11    8 o   3.9330   0.7316   2.8080   1.0970   5.0590   0.9688 -2.251000 1.463000 
1 1 1   59   11    9 f   2.2490   0.6876   1.5910   0.7842   2.9070   1.1300 -1.317000 1.375000 
1 1 1   59   11   10 o   2.1960   0.7279   2.5140   1.1310   1.8790   0.9169 0.6350000 1.456000 
1 1 1   59   11   11 o   1.7860   0.6220   1.7920   0.8905   1.7800   0.8687 0.1196000E-01 1.244000 
1 1 1   59   13    0 o   3.3190   0.6557   2.9250   0.9726   3.7140   0.8797 -0.7882000 1.311000 
1 1 1   59   13    1 o   5.6980   0.4712   6.5610   0.5702   4.8340   0.7503 1.727000 0.9424000 
1 1 1   59   13    2 f   1.8530   0.5993   1.7320   0.8153   1.9730   0.8787 -0.2410000 1.199000 
1 1 1   59   13    3 o   1.9990   0.6144   1.5890   0.7706   2.4100   0.9572 -0.8209000 1.229000 
1 1 1   59   13    4 o   2.2590   0.6926   1.8540   0.8611   2.6650   1.0850 -0.8109000 1.385000 
1 1 1   59   13    5 o   2.5830   0.7245   1.7950   0.8760   3.3710   1.1540 -1.576000 1.449000 
1 1 1   59   13    6 o   3.1810   0.7719   2.8840   1.0810   3.4780   1.1020 -0.5932000 1.544000 
1 1 1   59   13    7 o   2.7690   0.7253   3.5660   1.1240   1.9720   0.9173 1.594000 1.451000 
1 1 1   59   13    8 o   2.8550   0.7410   2.0440   0.9402   3.6650   1.1460 -1.621000 1.482000 
1 1 1   59   13    9 o   2.7010   0.8108   2.2060   1.0360   3.1960   1.2480 -0.9898000 1.622000 
1 1 1   59   15    0 o   5.5820   0.4602   5.5820   0.6855   5.5810   0.6141 0.1087000E-02 0.9203000 
1 1 1   59   15    1 o   1.6990   0.5653   1.8950   0.8662   1.5040   0.7266 0.3914000 1.131000 
1 1 1   59   15    2 o   6.6520   0.4108   6.6940   0.6142   6.6090   0.5458 0.8524000E-01 0.8216000 
1 1 1   59   15    3 o   3.3890   0.7937   4.2620   1.1780   2.5160   1.0640 1.746000 1.587000 
1 1 1   59   15    4 o   2.2950   0.6766   2.8670   1.0770   1.7230   0.8190 1.144000 1.353000 
1 1 1   59   15    5 o   3.6760   0.7302   3.0240   1.0970   4.3290   0.9641 -1.304000 1.460000 
1 1 1   59   15    6 o   2.1540   0.6703   1.9830   0.9135   2.3250   0.9811 -0.3425000 1.341000 
1 1 1   59   17    0 o   3.0350   0.7575   3.2740   1.0550   2.7950   1.0870 0.4792000 1.515000 
1 1 1   59   17    1 o   3.1770   0.8143   3.1210   1.1750   3.2320   1.1270 -0.1111000 1.629000 
1 1 1   59   17    2 o   2.3490   0.6967   2.4160   1.0090   2.2810   0.9611 0.1357000 1.393000 
1 1 1   59   17    3 o   2.1800   0.7496   1.9410   0.9413   2.4190   1.1670 -0.4774000 1.499000 
1 1 1   60    0    0 o   4.5060   0.6462   4.5060   0.6462   4.5060   0.6462 0.000000 0.000000 
1 1 1   60    0    1 o   3.9380   0.9145   3.9380   0.9145   3.9380   0.9145 0.000000 0.000000 
1 1 1   60    0    2 o   8.4860   0.4262   8.4860   0.4262   8.4860   0.4262 0.000000 0.000000 
1 1 1   60    0    3 o   5.8000   0.6731   5.8000   0.6731   5.8000   0.6731 0.000000 0.000000 
1 1 1   60    0    4 o   4.5300   0.9455   4.5300   0.9455   4.5300   0.9455 0.000000 0.000000 
1 1 1   60    0    5 o   3.2830   1.2570   3.2830   1.2570   3.2830   1.2570 0.000000 0.000000 
1 1 1   60    0    6 o   3.0330   1.2850   3.0330   1.2850   3.0330   1.2850 0.000000 0.000000 
1 1 1   60    0    7 o   2.1700   1.2880   2.1700   1.2880   2.1700   1.2880 0.000000 0.000000 
1 1 1   60    0    8 o   1.4230   0.9707   1.4230   0.9707   1.4230   0.9707 0.000000 0.000000 
1 1 1   60    0    9 o   1.5890   1.0530   1.5890   1.0530   1.5890   1.0530 0.000000 0.000000 
1 1 1   60    0   10 o   1.2740   0.8983   1.2740   0.8983   1.2740   0.8983 0.000000 0.000000 
1 1 1   60    0   11 o   1.8500   1.2900   1.8500   1.2900   1.8500   1.2900 0.000000 0.000000 
1 1 1   60    0   12 o   3.2500   1.4350   3.2500   1.4350   3.2500   1.4350 0.000000 0.000000 
1 1 1   60    0   13 o   1.8160   1.1730   1.8160   1.1730   1.8160   1.1730 0.000000 0.000000 
1 1 1   60    0   14 o   1.1650   0.8407   1.1650   0.8407   1.1650   0.8407 0.000000 0.000000 
1 1 1   60    2    0 o   2.6460   0.6990   3.1350   1.0390   2.1570   0.9349 0.9777000 1.398000 
1 1 1   60    2    1 f   2.4890   0.6509   2.6140   0.9049   2.3640   0.9358 0.2497000 1.302000 
1 1 1   60    2    2 o   2.3160   0.6578   2.3530   0.9277   2.2790   0.9329 0.7405000E-01 1.316000 
1 1 1   60    2    3 o   2.2210   0.6524   2.2800   0.9289   2.1610   0.9164 0.1188000 1.305000 
1 1 1   60    2    4 o   3.3970   0.6797   4.0620   0.9148   2.7330   1.0050 1.329000 1.359000 
1 1 1   60    2    5 o   3.2700   0.6715   2.3870   0.9901   4.1530   0.9072 -1.766000 1.343000 
1 1 1   60    2    6 o   2.6070   0.7479   2.5990   1.0770   2.6140   1.0380 -0.1505000E-01 1.496000 
1 1 1   60    2    7 o   2.8210   0.7832   2.7860   1.0790   2.8570   1.1350 -0.7099000E-01 1.566000 
1 1 1   60    2    8 f   3.2690   0.7399   2.5450   1.0530   3.9940   1.0400 -1.449000 1.480000 
1 1 1   60    2    9 o   1.9690   0.6475   2.1960   0.9874   1.7420   0.8380 0.4546000 1.295000 
1 1 1   60    2   10 o   1.9240   0.6410   1.9990   0.9331   1.8490   0.8792 0.1504000 1.282000 
1 1 1   60    2   11 o   2.9290   0.8588   3.1480   1.2460   2.7110   1.1830 0.4375000 1.718000 
1 1 1   60    2   12 o   2.3260   0.7570   2.7280   1.1880   1.9240   0.9384 0.8038000 1.514000 
1 1 1   60    2   13 o   1.9760   0.6558   2.3490   1.0430   1.6040   0.7956 0.7452000 1.312000 
1 1 1   60    2   14 o   2.4880   0.7409   3.1140   1.1780   1.8620   0.8985 1.252000 1.482000 
1 1 1   60    4    0 o   3.1970   0.8106   4.1650   1.3130   2.2280   0.9516 1.937000 1.621000 
1 1 1   60    4    1 o   7.3220   0.3635   6.5390   0.5937   8.1050   0.4196 -1.566000 0.7270000 
1 1 1   60    4    2 o   2.7170   0.7068   2.9660   1.0490   2.4680   0.9472 0.4981000 1.414000 
1 1 1   60    4    3 o   2.2390   0.6714   2.5090   1.0220   1.9690   0.8715 0.5405000 1.343000 
1 1 1   60    4    4 o   2.9780   0.7235   2.5570   1.0620   3.3990   0.9829 -0.8428000 1.447000 
1 1 1   60    4    5 o   2.4040   0.7369   2.4940   1.1200   2.3140   0.9581 0.1798000 1.474000 
1 1 1   60    4    6 o   6.3790   0.4612   6.4600   0.6585   6.2980   0.6460 0.1615000 0.9225000 
1 1 1   60    4    7 o   2.6780   0.7341   3.1810   1.0730   2.1750   1.0020 1.007000 1.468000 
1 1 1   60    4    8 o   2.5440   0.7318   2.7480   1.0630   2.3410   1.0060 0.4072000 1.464000 
1 1 1   60    4    9 o   3.5780   0.7036   4.8720   0.9803   2.2840   1.0090 2.588000 1.407000 
1 1 1   60    4   10 o   2.0630   0.6968   1.9430   0.9431   2.1830   1.0260 -0.2400000 1.394000 
1 1 1   60    4   11 o   2.0680   0.6808   2.1640   0.9948   1.9720   0.9296 0.1918000 1.362000 
1 1 1   60    4   12 o   2.0480   0.7024   2.2040   1.0560   1.8930   0.9263 0.3105000 1.405000 
1 1 1   60    4   13 o   2.0580   0.6798   2.0160   0.9511   2.1010   0.9717 -0.8429000E-01 1.360000 
1 1 1   60    6    0 o   4.1960   0.7423   3.7150   1.3140   4.6770   0.6902 -0.9618000 1.485000 
1 1 1   60    6    1 o   7.2430   0.3640   6.8740   0.5816   7.6130   0.4380 -0.7385000 0.7281000 
1 1 1   60    6    2 o   1.9810   0.6184   1.7350   0.8298   2.2280   0.9170 -0.4927000 1.237000 
1 1 1   60    6    3 o   2.5860   0.7363   2.4810   1.0930   2.6910   0.9866 -0.2097000 1.473000 
1 1 1   60    6    4 o   2.5070   0.7097   2.0730   0.9935   2.9400   1.0140 -0.8675000 1.419000 
1 1 1   60    6    5 o   2.3390   0.7152   2.5790   1.0950   2.0980   0.9203 0.4802000 1.430000 
1 1 1   60    6    6 o   2.1970   0.6845   1.9600   0.9331   2.4340   1.0020 -0.4738000 1.369000 
1 1 1   60    6    7 o   2.9330   0.8341   2.9380   1.1720   2.9290   1.1870 0.9059000E-02 1.668000 
1 1 1   60    6    8 o   1.7180   0.5944   1.8250   0.8874   1.6120   0.7912 0.2128000 1.189000 
1 1 1   60    6    9 o   3.0700   0.8193   2.3550   1.0710   3.7850   1.2400 -1.431000 1.639000 
1 1 1   60    6   10 o   2.1460   0.7013   2.0150   0.9685   2.2770   1.0140 -0.2622000 1.403000 
1 1 1   60    6   11 o   1.9400   0.6621   1.7300   0.8456   2.1500   1.0190 -0.4193000 1.324000 
1 1 1   60    6   12 o   1.8490   0.6379   1.8160   0.9041   1.8820   0.9002 -0.6676000E-01 1.276000 
1 1 1   60    6   13 o   1.9580   0.6611   1.9520   0.9361   1.9640   0.9339 -0.1188000E-01 1.322000 
1 1 1   60    8    0 o   4.9640   0.7396   5.3740   1.3490   4.5550   0.6061 0.8187000 1.479000 
1 1 1   60    8    1 f   2.1740   0.6684   2.4620   1.0430   1.8870   0.8365 0.5756000 1.337000 
1 1 1   60    8    2 o   2.2650   0.6946   2.5090   1.0790   2.0210   0.8746 0.4882000 1.389000 
1 1 1   60    8    3 o   3.3500   0.6406   4.8980   0.9759   1.8020   0.8300 3.096000 1.281000 
1 1 1   60    8    4 o   4.3320   0.6909   4.1220   1.1160   4.5430   0.8148 -0.4217000 1.382000 
1 1 1   60    8    5 o   2.3670   0.7068   2.2150   1.0010   2.5200   0.9980 -0.3055000 1.414000 
1 1 1   60    8    6 o   6.3770   0.5628   5.5990   0.9532   7.1550   0.5986 -1.557000 1.126000 
1 1 1   60    8    7 o   2.3080   0.7640   2.2210   1.0190   2.3950   1.1390 -0.1744000 1.528000 
1 1 1   60    8    8 o   2.8550   0.7950   2.1170   0.9922   3.5940   1.2420 -1.477000 1.590000 
1 1 1   60    8    9 o   2.1930   0.7144   2.1060   1.0040   2.2810   1.0170 -0.1749000 1.429000 
1 1 1   60    8   10 o   2.3090   0.7224   1.8470   0.9095   2.7700   1.1220 -0.9228000 1.445000 
1 1 1   60    8   11 o   2.3650   0.7922   2.3200   1.1450   2.4100   1.0950 -0.9064000E-01 1.584000 
1 1 1   60    8   12 o   2.4340   0.7658   2.3140   1.0780   2.5540   1.0880 -0.2399000 1.532000 
1 1 1   60   10    0 o   2.8200   0.6479   3.0940   0.9207   2.5460   0.9118 0.5487000 1.296000 
1 1 1   60   10    1 o   2.5010   0.6376   2.0800   0.8838   2.9230   0.9191 -0.8426000 1.275000 
1 1 1   60   10    2 o   2.2260   0.6055   2.9520   0.9729   1.5000   0.7210 1.453000 1.211000 
1 1 1   60   10    3 o   2.0800   0.6321   2.1140   0.9135   2.0450   0.8739 0.6844000E-01 1.264000 
1 1 1   60   10    4 o   2.8450   0.7222   2.7990   1.0280   2.8920   1.0150 -0.9251000E-01 1.444000 
1 1 1   60   10    5 o   2.0440   0.6508   1.6650   0.8007   2.4230   1.0260 -0.7580000 1.302000 
1 1 1   60   10    6 o   2.1850   0.7321   2.0940   0.9779   2.2770   1.0900 -0.1831000 1.464000 
1 1 1   60   10    7 o   2.0050   0.6526   1.9960   0.9149   2.0130   0.9308 -0.1689000E-01 1.305000 
1 1 1   60   10    8 o   2.7470   0.6803   3.8310   1.0900   1.6630   0.8149 2.168000 1.361000 
1 1 1   60   10    9 o   2.6500   0.7429   2.0240   0.9348   3.2770   1.1550 -1.253000 1.486000 
1 1 1   60   10   10 o   1.8710   0.6282   2.1530   0.9799   1.5890   0.7864 0.5641000 1.256000 
1 1 1   60   10   11 o   1.8350   0.9159   1.8350   0.9159  ?   ?       ?      ? 
1 1 1   60   12    0 o   2.9820   0.5922   1.9820   0.8647   3.9810   0.8093 -1.999000 1.184000 
1 1 1   60   12    1 o   5.8760   0.4222   5.7730   0.6163   5.9790   0.5771 -0.2063000 0.8443000 
1 1 1   60   12    2 o   2.6780   0.7012   2.6610   1.0010   2.6960   0.9824 -0.3505000E-01 1.402000 
1 1 1   60   12    3 o   2.6530   0.7081   2.8820   1.0210   2.4250   0.9815 0.4563000 1.416000 
1 1 1   60   12    4 f   2.8490   0.7202   2.9420   1.0430   2.7560   0.9936 0.1862000 1.440000 
1 1 1   60   12    5 o   2.0470   0.6796   2.3080   1.0390   1.7860   0.8765 0.5223000 1.359000 
1 1 1   60   12    6 o   1.7520   0.5919   1.9420   0.9001   1.5630   0.7688 0.3790000 1.184000 
1 1 1   60   12    7 o   2.0210   0.6456   1.5160   0.7493   2.5260   1.0510 -1.009000 1.291000 
1 1 1   60   12    8 o   2.8010   0.7761   2.9780   1.1190   2.6250   1.0760 0.3528000 1.552000 
1 1 1   60   12    9 o   2.2330   0.7081   2.1590   0.9813   2.3070   1.0210 -0.1474000 1.416000 
1 1 1   60   14    0 o   8.1620   0.3306   7.9440   0.4806   8.3790   0.4542 -0.4353000 0.6613000 
1 1 1   60   14    1 o   4.5350   0.5865   3.9050   0.9540   5.1660   0.6827 -1.262000 1.173000 
1 1 1   60   14    2 o   2.3860   0.6828   2.5650   1.0100   2.2060   0.9195 0.3592000 1.366000 
1 1 1   60   14    3 f   1.8750   0.6102   1.9500   0.8925   1.8000   0.8323 0.1502000 1.220000 
1 1 1   60   14    4 o   2.8530   0.7956   3.3880   1.2090   2.3180   1.0350 1.071000 1.591000 
1 1 1   60   14    5 o   1.8720   0.6170   1.9310   0.8965   1.8130   0.8479 0.1178000 1.234000 
1 1 1   60   14    6 o   3.0140   0.7485   3.3190   1.0830   2.7090   1.0330 0.6097000 1.497000 
1 1 1   60   14    7 o   3.4500   1.2830   3.4500   1.2830  ?   ?       ?      ? 
1 1 1   60   16    0 o   4.8030   0.5561   5.0850   0.7949   4.5220   0.7778 0.5631000 1.112000 
1 1 1   60   16    1 f   1.8180   0.5902   1.6130   0.7791   2.0230   0.8867 -0.4102000 1.180000 
1 1 1   60   16    2 o   2.7710   0.7898   2.9160   1.1470   2.6260   1.0860 0.2901000 1.580000 
1 1 1   60   16    3 o   2.5240   0.7001   2.1160   0.9442   2.9330   1.0340 -0.8175000 1.400000 
1 1 1   61    1    0 o   5.0010   0.4975   5.0400   0.7867   4.9630   0.6092 0.7763000E-01 0.9950000 
1 1 1   61    1    1 o   4.9330   0.4660   5.1940   0.6215   4.6720   0.6946 0.5215000 0.9320000 
1 1 1   61    1    2 o   2.7920   0.6834   2.9820   0.9608   2.6020   0.9722 0.3797000 1.367000 
1 1 1   61    1    3 o   4.2460   0.6326   4.1550   0.8768   4.3370   0.9122 -0.1817000 1.265000 
1 1 1   61    1    4 o   3.0120   0.7110   2.5970   0.9995   3.4270   1.0120 -0.8303000 1.422000 
1 1 1   61    1    5 o   2.7630   0.7152   3.2700   1.0650   2.2550   0.9550 1.015000 1.430000 
1 1 1   61    1    6 o   2.7070   0.7012   3.7060   1.1400   1.7070   0.8174 1.998000 1.402000 
1 1 1   61    1    7 o   3.3900   0.7509   4.1610   1.0230   2.6190   1.0990 1.542000 1.502000 
1 1 1   61    1    8 o   2.8830   0.7181   2.0580   0.9346   3.7070   1.0900 -1.649000 1.436000 
1 1 1   61    1    9 o   1.7760   0.6036   1.7500   0.8425   1.8020   0.8646 -0.5215000E-01 1.207000 
1 1 1   61    1   10 o   3.3380   0.8109   3.1360   1.1400   3.5400   1.1530 -0.4045000 1.622000 
1 1 1   61    1   11 o   2.6720   0.8863   2.8290   1.3050   2.5150   1.2000 0.3135000 1.773000 
1 1 1   61    1   12 o   2.6320   0.7612   3.1010   1.1590   2.1630   0.9869 0.9384000 1.522000 
1 1 1   61    1   13 o   2.3330   0.7308   2.2350   1.0100   2.4300   1.0570 -0.1951000 1.462000 
1 1 1   61    3    0 o   4.3480   0.7971   5.2790   1.1850   3.4170   1.0670 1.862000 1.594000 
1 1 1   61    3    1 o   4.8880   0.5214   4.5290   0.8120   5.2470   0.6542 -0.7181000 1.043000 
1 1 1   61    3    2 o   2.5650   0.6586   2.1500   0.8928   2.9800   0.9684 -0.8300000 1.317000 
1 1 1   61    3    3 o   2.4230   0.6763   2.4530   0.9564   2.3940   0.9565 0.5923000E-01 1.353000 
1 1 1   61    3    4 o   2.2840   0.6678   2.6080   1.0050   1.9590   0.8795 0.6492000 1.336000 
1 1 1   61    3    5 o   2.2410   0.6885   2.5220   1.0540   1.9610   0.8859 0.5610000 1.377000 
1 1 1   61    3    6 o   2.6450   0.7142   2.2140   0.9676   3.0770   1.0510 -0.8628000 1.428000 
1 1 1   61    3    7 o   2.3890   0.7303   1.9280   0.8957   2.8510   1.1540 -0.9233000 1.461000 
1 1 1   61    3    8 o   2.6580   0.7592   2.6200   1.0700   2.6960   1.0780 -0.7664000E-01 1.518000 
1 1 1   61    3    9 f   1.5770   0.5522   1.6530   0.8123   1.5000   0.7483 0.1525000 1.104000 
1 1 1   61    3   10 o   2.4770   0.7690   1.8570   0.9130   3.0970   1.2380 -1.240000 1.538000 
1 1 1   61    3   11 o   2.3170   0.7581   2.0930   1.0100   2.5410   1.1310 -0.4488000 1.516000 
1 1 1   61    3   12 o   2.1130   0.6910   2.0570   0.9608   2.1690   0.9935 -0.1124000 1.382000 
1 1 1   61    3   13 o   2.2950   0.7271   2.4990   1.0810   2.0910   0.9731 0.4084000 1.454000 
1 1 1   61    5    0 o   5.3520   0.7081   4.8860   1.3010   5.8170   0.5595 -0.9306000 1.416000 
1 1 1   61    5    1 o   5.8400   0.4442   5.4040   0.7114   6.2760   0.5320 -0.8724000 0.8883000 
1 1 1   61    5    2 o   2.3240   0.6810   2.6010   1.0350   2.0470   0.8859 0.5535000 1.362000 
1 1 1   61    5    3 o   2.7390   0.7403   3.0250   1.1230   2.4520   0.9647 0.5728000 1.481000 
1 1 1   61    5    4 o   3.1220   0.7783   2.8310   1.2000   3.4120   0.9914 -0.5816000 1.557000 
1 1 1   61    5    5 o   2.1630   0.6790   2.1300   0.9799   2.1950   0.9403 -0.6537000E-01 1.358000 
1 1 1   61    5    6 o   1.9800   0.6527   2.2610   1.0210   1.6990   0.8137 0.5619000 1.305000 
1 1 1   61    5    7 o   2.1400   0.7002   2.2800   1.0300   2.0000   0.9488 0.2808000 1.400000 
1 1 1   61    5    8 o   2.1600   0.6618   2.7730   1.0800   1.5480   0.7652 1.225000 1.324000 
1 1 1   61    5    9 o   2.3100   0.7478   2.4340   1.0910   2.1860   1.0230 0.2475000 1.496000 
1 1 1   61    5   10 o   1.8810   0.6334   1.7520   0.8496   2.0090   0.9398 -0.2566000 1.267000 
1 1 1   61    5   11 o   2.0550   0.7015   2.0480   0.9954   2.0620   0.9887 -0.1468000E-01 1.403000 
1 1 1   61    5   12 o   2.0400   0.6759   1.9840   0.9422   2.0960   0.9693 -0.1115000 1.352000 
1 1 1   61    7    0 o   8.9810   0.4642   8.4830   0.8477   9.4790   0.3787 -0.9963000 0.9285000 
1 1 1   61    7    1 o   8.0540   0.3266   7.6650   0.5423   8.4430   0.3640 -0.7779000 0.6531000 
1 1 1   61    7    2 o   4.3110   0.7060   3.7940   1.2110   4.8290   0.7257 -1.034000 1.412000 
1 1 1   61    7    3 o   3.0800   0.7469   3.6030   1.1250   2.5570   0.9831 1.046000 1.494000 
1 1 1   61    7    4 f   4.2500   0.7103   4.4330   1.0880   4.0660   0.9135 0.3669000 1.421000 
1 1 1   61    7    5 o   3.1440   0.7472   2.6410   1.1010   3.6470   1.0100 -1.006000 1.494000 
1 1 1   61    7    6 o   2.2170   0.6958   2.0830   0.9760   2.3510   0.9919 -0.2677000 1.392000 
1 1 1   61    7    7 o   2.3420   0.7529   2.1800   1.0150   2.5030   1.1130 -0.3221000 1.506000 
1 1 1   61    7    8 o   2.4310   0.7708   2.5940   1.1380   2.2670   1.0400 0.3271000 1.542000 
1 1 1   61    7    9 o   3.6470   0.8388   4.5220   1.2640   2.7720   1.1030 1.750000 1.678000 
1 1 1   61    7   10 o   1.9250   0.6562   1.9910   0.9640   1.8590   0.8905 0.1318000 1.312000 
1 1 1   61    7   11 o   2.1830   0.7500   2.2480   1.1110   2.1180   1.0080 0.1302000 1.500000 
1 1 1   61    9    0 o   3.0830   0.7467   3.4280   1.1500   2.7380   0.9527 0.6900000 1.493000 
1 1 1   61    9    1 o   2.9700   0.6867   2.7000   1.0430   3.2410   0.8935 -0.5414000 1.373000 
1 1 1   61    9    2 o   3.2970   0.6486   2.8510   0.9648   3.7430   0.8672 -0.8918000 1.297000 
1 1 1   61    9    3 o   2.4600   0.6870   2.4660   0.9710   2.4540   0.9720 0.1201000E-01 1.374000 
1 1 1   61    9    4 o   2.0500   0.6157   2.6360   1.0010   1.4640   0.7172 1.172000 1.231000 
1 1 1   61    9    5 o   1.8070   0.5927   2.1240   0.9334   1.4910   0.7307 0.6332000 1.185000 
1 1 1   61    9    6 o   2.7580   0.8279   2.3630   0.9953   3.1530   1.3230 -0.7902000 1.656000 
1 1 1   61    9    7 o   2.3110   0.7119   1.9370   0.9291   2.6850   1.0790 -0.7487000 1.424000 
1 1 1   61    9    8 o   1.9460   0.6323   1.4000   0.7023   2.4910   1.0520 -1.091000 1.265000 
1 1 1   61    9    9 o   1.9610   0.6490   1.7090   0.8316   2.2130   0.9967 -0.5043000 1.298000 
1 1 1   61    9   10 o   2.2880   0.7205   2.2400   1.0020   2.3360   1.0360 -0.9629000E-01 1.441000 
1 1 1   61   11    0 o   1.7360   0.5599   1.9130   0.8431   1.5590   0.7368 0.3545000 1.120000 
1 1 1   61   11    1 o   2.9670   0.6017   1.9430   0.8625   3.9910   0.8393 -2.047000 1.203000 
1 1 1   61   11    2 o   4.1950   0.6030   4.0330   0.9149   4.3580   0.7858 -0.3250000 1.206000 
1 1 1   61   11    3 o   3.5240   0.6577   2.8460   1.0190   4.2030   0.8319 -1.357000 1.315000 
1 1 1   61   11    4 o   1.8700   0.6047   2.1910   0.9447   1.5490   0.7551 0.6413000 1.209000 
1 1 1   61   11    5 o   2.0730   0.6768   1.8860   0.8710   2.2600   1.0360 -0.3741000 1.354000 
1 1 1   61   11    6 o   3.1440   0.8567   3.2650   1.2170   3.0240   1.2060 0.2409000 1.713000 
1 1 1   61   11    7 o   2.5380   0.7423   2.5350   1.0430   2.5400   1.0560 -0.5033000E-02 1.485000 
1 1 1   61   11    8 o   2.3780   0.7228   2.3820   1.0210   2.3750   1.0230 0.6658000E-02 1.446000 
1 1 1   61   11    9 o   2.2450   0.7080   2.1060   0.9652   2.3850   1.0360 -0.2789000 1.416000 
1 1 1   61   13    0 o   2.8070   0.6888   2.8980   0.9884   2.7160   0.9595 0.1828000 1.378000 
1 1 1   61   13    1 o   1.7980   0.5884   1.8360   0.8449   1.7590   0.8191 0.7708000E-01 1.177000 
1 1 1   61   13    2 o   2.4050   0.6902   2.3680   0.9667   2.4420   0.9855 -0.7384000E-01 1.380000 
1 1 1   61   13    3 o   4.2890   0.6305   4.0960   0.9458   4.4820   0.8340 -0.3865000 1.261000 
1 1 1   61   13    4 o   2.8200   0.7275   3.3710   1.0520   2.2680   1.0050 1.102000 1.455000 
1 1 1   61   13    5 o   1.9810   0.6327   1.6270   0.8079   2.3350   0.9739 -0.7088000 1.265000 
1 1 1   61   13    6 o   2.1360   0.6746   2.0510   0.9288   2.2210   0.9787 -0.1692000 1.349000 
1 1 1   61   13    7 o   1.8790   0.6329   1.5920   0.7973   2.1660   0.9832 -0.5739000 1.266000 
1 1 1   61   15    0 o   3.1060   0.6638   2.4390   0.9771   3.7730   0.8988 -1.334000 1.328000 
1 1 1   61   15    1 o   1.7590   0.5730   1.4840   0.7288   2.0340   0.8844 -0.5495000 1.146000 
1 1 1   61   15    2 o   4.2190   0.6423   3.8710   1.0020   4.5670   0.8045 -0.6962000 1.285000 
1 1 1   61   15    3 o   1.8650   0.6302   1.8150   0.8807   1.9150   0.9017 -0.9945000E-01 1.260000 
1 1 1   61   15    4 o   1.8140   0.6246   1.9050   0.9233   1.7220   0.8415 0.1828000 1.249000 
1 1 1   62    0    0 o   3.4110   0.9274   3.4110   0.9274   3.4110   0.9274 0.000000 0.000000 
1 1 1   62    0    1 o   1.9560   1.0920   1.9560   1.0920   1.9560   1.0920 0.000000 0.000000 
1 1 1   62    0    2 o   1.2540   0.8577   1.2540   0.8577   1.2540   0.8577 0.000000 0.000000 
1 1 1   62    0    3 o   1.5920   1.0220   1.5920   1.0220   1.5920   1.0220 0.000000 0.000000 
1 1 1   62    0    4 o   1.8220   1.1090   1.8220   1.1090   1.8220   1.1090 0.000000 0.000000 
1 1 1   62    0    5 o   3.0740   1.3150   3.0740   1.3150   3.0740   1.3150 0.000000 0.000000 
1 1 1   62    0    6 o   1.5860   1.0690   1.5860   1.0690   1.5860   1.0690 0.000000 0.000000 
1 1 1   62    0    7 o   1.9700   1.1870   1.9700   1.1870   1.9700   1.1870 0.000000 0.000000 
1 1 1   62    0    8 o   3.9360   1.2800   3.9360   1.2800   3.9360   1.2800 0.000000 0.000000 
1 1 1   62    0    9 o   1.4750   1.0040   1.4750   1.0040   1.4750   1.0040 0.000000 0.000000 
1 1 1   62    0   10 o   2.8820   1.4000   2.8820   1.4000   2.8820   1.4000 0.000000 0.000000 
1 1 1   62    0   11 o   2.0820   1.4090   2.0820   1.4090   2.0820   1.4090 0.000000 0.000000 
1 1 1   62    0   12 o   2.7670   1.4170   2.7670   1.4170   2.7670   1.4170 0.000000 0.000000 
1 1 1   62    2    0 o   1.7070   0.5746   1.8820   0.8743   1.5320   0.7457 0.3498000 1.149000 
1 1 1   62    2    1 o   5.5620   0.4165   5.5010   0.5706   5.6230   0.6069 -0.1224000 0.8330000 
1 1 1   62    2    2 o   1.6610   0.5511   1.8230   0.8270   1.4990   0.7287 0.3244000 1.102000 
1 1 1   62    2    3 o   2.2050   0.6565   2.3450   0.9549   2.0650   0.9010 0.2802000 1.313000 
1 1 1   62    2    4 o   4.3130   0.6260   4.6600   0.8478   3.9660   0.9213 0.6935000 1.252000 
1 1 1   62    2    5 f   2.4160   0.6808   1.9500   0.8952   2.8820   1.0260 -0.9322000 1.362000 
1 1 1   62    2    6 o   3.0630   0.7819   3.2300   1.1600   2.8960   1.0490 0.3342000 1.564000 
1 1 1   62    2    7 o   2.0660   0.6632   1.4290   0.7159   2.7020   1.1170 -1.274000 1.326000 
1 1 1   62    2    8 o   3.2440   0.7878   3.6160   1.1340   2.8730   1.0940 0.7427000 1.576000 
1 1 1   62    2    9 o   2.4010   0.7060   1.7710   0.8575   3.0310   1.1220 -1.259000 1.412000 
1 1 1   62    2   10 o   2.3560   0.7648   2.3550   1.0840   2.3570   1.0790 -0.2151000E-02 1.530000 
1 1 1   62    2   11 o   3.1530   0.8840   2.9010   1.2230   3.4040   1.2760 -0.5031000 1.768000 
1 1 1   62    2   12 o   2.0640   0.6774   1.8590   0.8945   2.2690   1.0180 -0.4100000 1.355000 
1 1 1   62    4    0 o   5.4520   0.7315   4.6620   1.3000   6.2420   0.6706 -1.580000 1.463000 
1 1 1   62    4    1 o   6.7420   0.3870   6.8010   0.5789   6.6820   0.5137 0.1193000 0.7739000 
1 1 1   62    4    2 o   4.2330   0.6486   4.0970   1.0090   4.3690   0.8156 -0.2721000 1.297000 
1 1 1   62    4    3 o   3.4110   0.7310   4.0000   1.0610   2.8230   1.0060 1.177000 1.462000 
1 1 1   62    4    4 o   2.4230   0.7401   2.6480   1.1510   2.1980   0.9309 0.4499000 1.480000 
1 1 1   62    4    5 o   3.0320   0.7515   2.8350   1.1110   3.2290   1.0120 -0.3942000 1.503000 
1 1 1   62    4    6 o   2.6360   0.7020   3.3060   1.0820   1.9650   0.8941 1.341000 1.404000 
1 1 1   62    4    7 o   2.5810   0.7635   2.1920   0.9666   2.9710   1.1820 -0.7788000 1.527000 
1 1 1   62    4    8 o   2.3490   0.6911   1.6810   0.8157   3.0170   1.1160 -1.336000 1.382000 
1 1 1   62    4    9 o   1.9240   0.6588   2.2850   1.0570   1.5630   0.7859 0.7218000 1.318000 
1 1 1   62    4   10 o   2.4030   0.7731   2.2470   1.0500   2.5590   1.1350 -0.3113000 1.546000 
1 1 1   62    4   11 o   2.6240   0.8251   2.6660   1.1980   2.5830   1.1340 0.8293000E-01 1.650000 
1 1 1   62    4   12 o   2.2350   0.7128   2.6610   1.1240   1.8090   0.8763 0.8520000 1.426000 
1 1 1   62    6    0 o   2.7660   0.7874   3.1320   1.2740   2.4000   0.9255 0.7324000 1.575000 
1 1 1   62    6    1 o   3.3340   0.6775   3.9890   0.9624   2.6790   0.9538 1.311000 1.355000 
1 1 1   62    6    2 f   3.7080   0.6774   3.0150   1.0890   4.4020   0.8064 -1.387000 1.355000 
1 1 1   62    6    3 o   4.4800   0.7259   5.1040   1.0960   3.8560   0.9525 1.248000 1.452000 
1 1 1   62    6    4 o   2.2070   0.6904   2.8210   1.1470   1.5930   0.7690 1.228000 1.381000 
1 1 1   62    6    5 o   2.6010   0.7487   3.2130   1.1970   1.9900   0.8993 1.223000 1.497000 
1 1 1   62    6    6 o   2.3390   0.7126   2.1320   0.9952   2.5470   1.0200 -0.4143000 1.425000 
1 1 1   62    6    7 o   2.5590   0.7879   2.5960   1.1210   2.5210   1.1080 0.7492000E-01 1.576000 
1 1 1   62    6    8 o   2.5140   0.7833   2.4150   1.0870   2.6130   1.1280 -0.1981000 1.567000 
1 1 1   62    6    9 o   2.4550   0.7596   2.2830   1.0580   2.6270   1.0900 -0.3434000 1.519000 
1 1 1   62    6   10 o   2.0570   0.6700   1.7510   0.8506   2.3630   1.0350 -0.6119000 1.340000 
1 1 1   62    6   11 o   1.9910   0.6825   2.2050   1.0460   1.7760   0.8774 0.4286000 1.365000 
1 1 1   62    8    0 o   2.4850   0.6537   2.2190   0.9632   2.7510   0.8840 -0.5329000 1.307000 
1 1 1   62    8    1 o   2.4420   0.7070   2.4430   1.0530   2.4410   0.9435 0.1984000E-02 1.414000 
1 1 1   62    8    2 o   2.1800   0.6612   2.2990   1.0020   2.0620   0.8628 0.2372000 1.322000 
1 1 1   62    8    3 o   2.8730   0.7573   3.2240   1.1490   2.5220   0.9875 0.7018000 1.515000 
1 1 1   62    8    4 o   2.8960   0.7628   3.2860   1.1660   2.5070   0.9836 0.7786000 1.526000 
1 1 1   62    8    5 o   1.9370   0.6330   1.7980   0.8719   2.0770   0.9179 -0.2790000 1.266000 
1 1 1   62    8    6 o   1.9200   0.6402   1.9230   0.9214   1.9180   0.8892 0.5004000E-02 1.280000 
1 1 1   62    8    7 o   2.2980   0.7561   2.3810   1.0670   2.2150   1.0720 0.1667000 1.512000 
1 1 1   62    8    8 o   2.3960   0.7359   2.1030   0.9901   2.6880   1.0890 -0.5854000 1.472000 
1 1 1   62    8    9 o   1.8650   0.6411   1.9740   0.9601   1.7550   0.8497 0.2191000 1.282000 
1 1 1   62    8   10 o   3.2880   0.8332   2.7580   1.1960   3.8190   1.1600 -1.061000 1.666000 
1 1 1   62   10    0 o   6.6410   0.3451   6.5780   0.5022   6.7050   0.4735 -0.1263000 0.6902000 
1 1 1   62   10    1 o   2.1070   0.6267   2.0680   0.8886   2.1460   0.8839 -0.7837000E-01 1.253000 
1 1 1   62   10    2 o   4.9350   0.5142   4.5910   0.7969   5.2780   0.6501 -0.6867000 1.028000 
1 1 1   62   10    3 o   3.5140   0.6696   3.0730   1.0140   3.9560   0.8749 -0.8832000 1.339000 
1 1 1   62   10    4 o   2.6630   0.7149   2.8190   1.0250   2.5070   0.9963 0.3120000 1.430000 
1 1 1   62   10    5 o   2.7410   0.7254   2.1500   0.9415   3.3320   1.1040 -1.182000 1.451000 
1 1 1   62   10    6 o   2.2900   0.7210   2.8350   1.1550   1.7440   0.8628 1.090000 1.442000 
1 1 1   62   10    7 o   3.0020   0.7568   2.4120   1.0220   3.5920   1.1170 -1.180000 1.514000 
1 1 1   62   10    8 o   1.7140   0.5865   1.5650   0.7721   1.8620   0.8831 -0.2969000 1.173000 
1 1 1   62   10    9 o   1.9570   0.6753   2.1920   1.0420   1.7230   0.8591 0.4687000 1.351000 
1 1 1   62   12    0 o   3.1460   0.6396   3.8920   0.8867   2.4000   0.9222 1.493000 1.279000 
1 1 1   62   12    1 o   7.0100   0.3915   6.9750   0.6017   7.0440   0.5011 -0.6966000E-01 0.7830000 
1 1 1   62   12    2 o   1.9430   0.6217   1.8440   0.8483   2.0420   0.9091 -0.1977000 1.243000 
1 1 1   62   12    3 o   2.0130   0.6253   2.3830   0.9716   1.6430   0.7874 0.7401000 1.251000 
1 1 1   62   12    4 o   2.5230   0.6346   1.6760   0.8004   3.3700   0.9851 -1.694000 1.269000 
1 1 1   62   12    5 o   1.7030   0.5939   1.7370   0.8513   1.6700   0.8282 0.6669000E-01 1.188000 
1 1 1   62   12    6 o   1.8560   0.6166   1.9710   0.9071   1.7420   0.8353 0.2286000 1.233000 
1 1 1   62   12    7 o   1.5810   0.5581   1.7030   0.8443   1.4590   0.7300 0.2446000 1.116000 
1 1 1   62   14    0 o   3.2130   0.6968   3.1520   1.0170   3.2740   0.9533 -0.1220000 1.394000 
1 1 1   62   14    1 o   2.4560   0.6804   2.6690   0.9984   2.2430   0.9245 0.4262000 1.361000 
1 1 1   62   14    2 o   2.0380   0.6251   1.8220   0.8472   2.2540   0.9194 -0.4312000 1.250000 
1 1 1   62   14    3 o   2.6910   0.7174   2.8260   1.0350   2.5570   0.9942 0.2688000 1.435000 
1 1 1   62   14    4 o   1.8000   0.6186   1.8470   0.8958   1.7540   0.8535 0.9242000E-01 1.237000 
1 1 1   62   16    0 o   2.3780   1.1630   2.3780   1.1630  ?   ?       ?      ? 
1 1 1   63    1    0 o   2.2200   0.6167   2.0860   0.8577   2.3550   0.8864 -0.2687000 1.233000 
1 1 1   63    1    1 f   2.9250   0.6585   2.7820   0.9104   3.0680   0.9518 -0.2855000 1.317000 
1 1 1   63    1    2 o   1.9590   0.6155   1.8550   0.8390   2.0630   0.9009 -0.2078000 1.231000 
1 1 1   63    1    3 o   2.4420   0.6662   2.9080   0.9911   1.9760   0.8905 0.9317000 1.332000 
1 1 1   63    1    4 f   2.8140   0.6924   2.2580   0.9492   3.3700   1.0080 -1.112000 1.385000 
1 1 1   63    1    5 o   3.4630   0.6282   4.9740   0.8576   1.9530   0.9181 3.021000 1.256000 
1 1 1   63    1    6 o   5.0660   0.7097   4.8540   1.0330   5.2780   0.9731 -0.4240000 1.419000 
1 1 1   63    1    7 o   2.9670   0.7894   3.2830   1.1130   2.6520   1.1200 0.6311000 1.579000 
1 1 1   63    1    8 o   2.6310   0.7442   2.2130   0.9874   3.0480   1.1140 -0.8353000 1.488000 
1 1 1   63    1    9 o   1.7570   0.6005   1.6100   0.7947   1.9040   0.9006 -0.2945000 1.201000 
1 1 1   63    1   10 o   2.2410   0.7308   2.6830   1.1600   1.7990   0.8887 0.8844000 1.462000 
1 1 1   63    1   11 o   2.9890   0.8775   3.1710   1.2770   2.8080   1.2030 0.3622000 1.755000 
1 1 1   63    3    0 o   2.1710   0.7045   2.5670   1.1310   1.7750   0.8403 0.7921000 1.409000 
1 1 1   63    3    1 o   1.8370   0.5823   1.5730   0.7398   2.1010   0.8996 -0.5277000 1.165000 
1 1 1   63    3    2 o   2.8630   0.6806   2.4600   0.9477   3.2660   0.9770 -0.8059000 1.361000 
1 1 1   63    3    3 o   3.9400   0.6413   4.5380   0.8022   3.3420   1.0010 1.195000 1.283000 
1 1 1   63    3    4 o   2.2650   0.6670   1.9550   0.8888   2.5740   0.9948 -0.6187000 1.334000 
1 1 1   63    3    5 o   2.7640   0.7110   3.7430   1.1510   1.7850   0.8355 1.958000 1.422000 
1 1 1   63    3    6 o   2.3500   0.6965   2.7130   1.0560   1.9870   0.9088 0.7268000 1.393000 
1 1 1   63    3    7 o   2.6100   0.7750   2.5250   1.0470   2.6950   1.1430 -0.1706000 1.550000 
1 1 1   63    3    8 o   2.0620   0.6656   1.7710   0.8561   2.3520   1.0190 -0.5819000 1.331000 
1 1 1   63    3    9 o   2.1450   0.6914   2.2170   1.0030   2.0730   0.9514 0.1437000 1.383000 
1 1 1   63    3   10 o   2.6600   0.8143   2.3370   1.0810   2.9840   1.2180 -0.6467000 1.629000 
1 1 1   63    3   11 o   2.4170   0.7775   2.1600   1.0400   2.6750   1.1560 -0.5151000 1.555000 
1 1 1   63    5    0 o   4.1680   0.7442   3.5710   1.3110   4.7660   0.7050 -1.195000 1.488000 
1 1 1   63    5    1 o   2.9150   0.6584   2.2130   0.9430   3.6170   0.9192 -1.404000 1.317000 
1 1 1   63    5    2 o   3.2880   0.6593   2.3450   0.9970   4.2320   0.8630 -1.887000 1.319000 
1 1 1   63    5    3 o   1.8170   0.6116   2.0660   0.9593   1.5680   0.7587 0.4981000 1.223000 
1 1 1   63    5    4 o   1.9710   0.6683   2.3810   1.1020   1.5620   0.7568 0.8193000 1.337000 
1 1 1   63    5    5 o   3.9740   0.7429   3.4760   1.1980   4.4730   0.8791 -0.9975000 1.486000 
1 1 1   63    5    6 o   2.7670   0.7778   2.9750   1.1730   2.5580   1.0220 0.4167000 1.556000 
1 1 1   63    5    7 f   2.1700   0.6810   2.6190   1.0670   1.7210   0.8471 0.8988000 1.362000 
1 1 1   63    5    8 o   2.4590   0.7200   1.9600   0.9185   2.9580   1.1090 -0.9985000 1.440000 
1 1 1   63    5    9 o   1.9930   0.6764   2.2120   1.0340   1.7750   0.8724 0.4362000 1.353000 
1 1 1   63    5   10 o   2.0530   0.6732   1.9720   0.9277   2.1330   0.9758 -0.1605000 1.346000 
1 1 1   63    5   11 o   2.3510   1.1610   2.3510   1.1610  ?   ?       ?      ? 
1 1 1   63    7    0 o   3.5780   0.7358   2.8380   1.2360   4.3180   0.7994 -1.480000 1.472000 
1 1 1   63    7    1 o   2.4800   0.6754   2.9350   1.0510   2.0260   0.8482 0.9093000 1.351000 
1 1 1   63    7    2 o   2.4640   0.7064   2.2000   1.0130   2.7290   0.9852 -0.5293000 1.413000 
1 1 1   63    7    3 o   1.9880   0.6443   2.1440   0.9709   1.8330   0.8474 0.3108000 1.289000 
1 1 1   63    7    4 o   2.6330   0.7453   2.6180   1.0920   2.6470   1.0140 -0.2846000E-01 1.491000 
1 1 1   63    7    5 o   3.1820   0.7539   2.6420   1.1070   3.7220   1.0240 -1.079000 1.508000 
1 1 1   63    7    6 o   2.5480   0.7381   2.2720   1.0330   2.8240   1.0540 -0.5518000 1.476000 
1 1 1   63    7    7 o   2.5510   0.8238   2.4190   1.0910   2.6830   1.2350 -0.2647000 1.648000 
1 1 1   63    7    8 o   2.0140   0.6823   1.9760   0.9536   2.0520   0.9761 -0.7571000E-01 1.365000 
1 1 1   63    7    9 f   3.0360   0.7678   1.8120   0.8934   4.2590   1.2490 -2.447000 1.536000 
1 1 1   63    7   10 o   2.4290   0.8315   3.1280   1.4090   1.7310   0.8838 1.397000 1.663000 
1 1 1   63    9    0 o   2.8950   0.6699   2.1720   0.9831   3.6180   0.9104 -1.446000 1.340000 
1 1 1   63    9    1 o   2.9160   0.7114   3.1370   1.0870   2.6950   0.9184 0.4422000 1.423000 
1 1 1   63    9    2 o   6.2870   0.4624   6.1530   0.7565   6.4200   0.5318 -0.2674000 0.9247000 
1 1 1   63    9    3 o   2.1560   0.6673   1.9530   0.9195   2.3590   0.9674 -0.4054000 1.335000 
1 1 1   63    9    4 o   1.6890   0.5747   1.5950   0.7916   1.7830   0.8334 -0.1876000 1.149000 
1 1 1   63    9    5 o   2.7660   0.7713   3.0330   1.1700   2.4990   1.0050 0.5343000 1.543000 
1 1 1   63    9    6 o   1.9580   0.6824   1.5450   0.7732   2.3700   1.1250 -0.8249000 1.365000 
1 1 1   63    9    7 f   1.9400   0.6359   1.5470   0.7763   2.3340   1.0070 -0.7875000 1.272000 
1 1 1   63    9    8 o   2.5980   0.7782   2.8540   1.1800   2.3410   1.0150 0.5122000 1.556000 
1 1 1   63   11    0 o   4.6770   0.5081   4.8630   0.7248   4.4920   0.7123 0.3707000 1.016000 
1 1 1   63   11    1 o   4.1370   0.6085   3.7370   0.9572   4.5370   0.7515 -0.7998000 1.217000 
1 1 1   63   11    2 o   4.1990   0.6040   5.2070   0.7327   3.1900   0.9603 2.016000 1.208000 
1 1 1   63   11    3 o   1.9300   0.6179   1.7960   0.8315   2.0650   0.9142 -0.2695000 1.236000 
1 1 1   63   11    4 o   2.3000   0.6783   2.5220   1.0020   2.0770   0.9146 0.4443000 1.357000 
1 1 1   63   11    5 o   3.1790   0.8056   3.0410   1.0510   3.3170   1.2210 -0.2762000 1.611000 
1 1 1   63   11    6 o   2.7890   0.7788   2.5410   1.1060   3.0370   1.0970 -0.4968000 1.558000 
1 1 1   63   11    7 o   1.8930   0.9196   1.8930   0.9196  ?   ?       ?      ? 
1 1 1   63   13    0 o   2.5690   0.6735   3.0000   0.9957   2.1380   0.9073 0.8619000 1.347000 
1 1 1   63   13    1 o   2.0980   0.6396   1.8670   0.8543   2.3290   0.9522 -0.4615000 1.279000 
1 1 1   63   13    2 o   2.6270   0.6973   2.7310   1.0060   2.5240   0.9654 0.2067000 1.395000 
1 1 1   63   13    3 o   1.9660   0.6049   1.4930   0.7316   2.4380   0.9636 -0.9446000 1.210000 
1 1 1   63   13    4 o   2.0080   0.6502   2.0270   0.9132   1.9890   0.9258 0.3793000E-01 1.300000 
1 1 1   63   15    0 o   2.0060   0.6286   1.8910   0.8690   2.1210   0.9084 -0.2302000 1.257000 
1 1 1   64    0    0 o   2.4620   1.0950   2.4620   1.0950   2.4620   1.0950 0.000000 0.000000 
1 1 1   64    0    1 o   1.5950   1.0000   1.5950   1.0000   1.5950   1.0000 0.000000 0.000000 
1 1 1   64    0    2 f   3.3930   1.1620   3.3930   1.1620   3.3930   1.1620 0.000000 0.000000 
1 1 1   64    0    3 o   1.9730   1.1400   1.9730   1.1400   1.9730   1.1400 0.000000 0.000000 
1 1 1   64    0    4 o   1.5450   1.0080   1.5450   1.0080   1.5450   1.0080 0.000000 0.000000 
1 1 1   64    0    5 o   1.9590   1.1700   1.9590   1.1700   1.9590   1.1700 0.000000 0.000000 
1 1 1   64    0    6 o   5.6580   1.0070   5.6580   1.0070   5.6580   1.0070 0.000000 0.000000 
1 1 1   64    0    7 o   1.7530   1.1180   1.7530   1.1180   1.7530   1.1180 0.000000 0.000000 
1 1 1   64    0    8 o   1.7160   1.1100   1.7160   1.1100   1.7160   1.1100 0.000000 0.000000 
1 1 1   64    0    9 f   2.8210   1.3930   2.8210   1.3930   2.8210   1.3930 0.000000 0.000000 
1 1 1   64    0   10 o   1.3060   0.9388   1.3060   0.9388   1.3060   0.9388 0.000000 0.000000 
1 1 1   64    2    0 o   2.6140   0.6789   2.2730   0.9799   2.9540   0.9400 -0.6813000 1.358000 
1 1 1   64    2    1 o   1.9650   0.6107   1.8950   0.8353   2.0350   0.8910 -0.1402000 1.221000 
1 1 1   64    2    2 o   4.4000   0.5989   4.8530   0.7275   3.9470   0.9515 0.9062000 1.198000 
1 1 1   64    2    3 o   2.2270   0.6688   2.1740   0.9264   2.2790   0.9648 -0.1049000 1.338000 
1 1 1   64    2    4 o   1.9300   0.6219   1.9370   0.8826   1.9230   0.8763 0.1350000E-01 1.244000 
1 1 1   64    2    5 o   2.0740   0.6661   2.4190   1.0500   1.7280   0.8203 0.6911000 1.332000 
1 1 1   64    2    6 o   3.1840   0.7530   3.6170   1.0740   2.7510   1.0560 0.8669000 1.506000 
1 1 1   64    2    7 o   2.4890   0.7508   2.7020   1.0840   2.2760   1.0400 0.4263000 1.502000 
1 1 1   64    2    8 o   3.1990   0.7787   2.6750   1.0930   3.7230   1.1090 -1.049000 1.557000 
1 1 1   64    2    9 o   1.6230   0.5657   1.5450   0.7720   1.7010   0.8270 -0.1561000 1.131000 
1 1 1   64    2   10 o   2.0980   0.7084   1.9900   0.9635   2.2070   1.0390 -0.2172000 1.417000 
1 1 1   64    4    0 o   4.4140   0.8033   3.9840   1.3250   4.8450   0.9089 -0.8612000 1.607000 
1 1 1   64    4    1 o   2.4330   0.6823   2.6900   1.0150   2.1760   0.9122 0.5147000 1.365000 
1 1 1   64    4    2 o   3.0080   0.7252   3.1870   1.0480   2.8290   1.0020 0.3575000 1.450000 
1 1 1   64    4    3 f   2.3320   0.6773   1.9340   0.9019   2.7290   1.0110 -0.7946000 1.355000 
1 1 1   64    4    4 o   1.6360   0.5598   1.5810   0.7814   1.6920   0.8018 -0.1112000 1.120000 
1 1 1   64    4    5 o   2.2150   0.6776   2.2610   0.9780   2.1690   0.9380 0.9155000E-01 1.355000 
1 1 1   64    4    6 o   3.5240   0.7261   2.8850   1.0780   4.1630   0.9726 -1.278000 1.452000 
1 1 1   64    4    7 o   2.8160   0.7922   2.5240   1.0410   3.1080   1.1940 -0.5833000 1.584000 
1 1 1   64    4    8 o   2.5300   0.7396   2.2550   1.0010   2.8050   1.0890 -0.5502000 1.479000 
1 1 1   64    4    9 o   2.1360   0.7020   2.5850   1.1270   1.6860   0.8371 0.8985000 1.404000 
1 1 1   64    4   10 o   2.3810   0.7282   2.0710   0.9643   2.6920   1.0910 -0.6201000 1.456000 
1 1 1   64    6    0 o   3.1280   0.7571   4.4720   1.2760   1.7840   0.8157 2.688000 1.514000 
1 1 1   64    6    1 o   2.4610   0.6702   2.5400   0.9992   2.3820   0.8934 0.1579000 1.340000 
1 1 1   64    6    2 o   2.5920   0.6943   2.1140   0.9728   3.0700   0.9908 -0.9554000 1.389000 
1 1 1   64    6    3 o   2.4140   0.7214   2.2500   1.0360   2.5780   1.0040 -0.3279000 1.443000 
1 1 1   64    6    4 o   2.1010   0.6705   2.0590   0.9602   2.1430   0.9362 -0.8340000E-01 1.341000 
1 1 1   64    6    5 o   2.1400   0.6800   1.9850   0.9459   2.2960   0.9771 -0.3110000 1.360000 
1 1 1   64    6    6 o   3.5510   0.7955   3.1990   1.2200   3.9040   1.0220 -0.7049000 1.591000 
1 1 1   64    6    7 o   2.0800   0.6917   2.5460   1.1240   1.6150   0.8063 0.9311000 1.383000 
1 1 1   64    6    8 o   2.0390   0.6841   1.8920   0.9212   2.1860   1.0120 -0.2942000 1.368000 
1 1 1   64    6    9 o   1.8000   0.6155   1.6880   0.8392   1.9120   0.9007 -0.2242000 1.231000 
1 1 1   64    8    0 o   2.5480   0.7059   2.6860   1.0650   2.4090   0.9271 0.2768000 1.412000 
1 1 1   64    8    1 o   1.9390   0.6349   2.2190   1.0020   1.6590   0.7796 0.5604000 1.270000 
1 1 1   64    8    2 o   2.0550   0.6467   2.1480   0.9713   1.9630   0.8541 0.1851000 1.293000 
1 1 1   64    8    3 o   2.6690   0.7405   3.1940   1.1480   2.1440   0.9354 1.050000 1.481000 
1 1 1   64    8    4 o   2.3920   0.7023   2.0590   0.9564   2.7240   1.0290 -0.6650000 1.405000 
1 1 1   64    8    5 o   2.0940   0.6733   2.5160   1.0820   1.6720   0.8015 0.8442000 1.347000 
1 1 1   64    8    6 o   3.0960   0.8872   2.7800   1.1440   3.4120   1.3570 -0.6327000 1.774000 
1 1 1   64    8    7 o   2.7220   0.7823   2.1830   1.0150   3.2610   1.1910 -1.078000 1.565000 
1 1 1   64    8    8 o   1.9980   0.6584   1.7480   0.8617   2.2480   0.9958 -0.4998000 1.317000 
1 1 1   64   10    0 o   4.6070   0.5079   4.0810   0.8104   5.1330   0.6125 -1.052000 1.016000 
1 1 1   64   10    1 o   3.0040   0.6618   2.5390   0.9660   3.4690   0.9049 -0.9298000 1.324000 
1 1 1   64   10    2 o   1.7850   0.5780   1.6300   0.7791   1.9390   0.8540 -0.3087000 1.156000 
1 1 1   64   10    3 o   1.9550   0.6134   2.1380   0.9199   1.7720   0.8117 0.3659000 1.227000 
1 1 1   64   10    4 o   2.1570   0.6683   1.9080   0.8711   2.4050   1.0140 -0.4970000 1.337000 
1 1 1   64   10    5 o   1.7700   0.5945   1.9170   0.8844   1.6230   0.7949 0.2945000 1.189000 
1 1 1   64   10    6 o   2.2700   0.7345   2.4040   1.0720   2.1360   1.0040 0.2684000 1.469000 
1 1 1   64   10    7 o   2.5240   1.2270   2.5240   1.2270  ?   ?       ?      ? 
1 1 1   64   12    0 o   2.2900   0.6311   1.9220   0.8571   2.6590   0.9264 -0.7375000 1.262000 
1 1 1   64   12    1 o   2.2860   0.6450   2.8540   1.0140   1.7180   0.7977 1.136000 1.290000 
1 1 1   64   12    2 o   2.3070   0.6758   2.4620   0.9839   2.1520   0.9269 0.3093000 1.352000 
1 1 1   64   12    3 o   1.9550   0.6142   2.2800   0.9561   1.6310   0.7712 0.6496000 1.228000 
1 1 1   64   12    4 o   2.0330   0.6252   1.7180   0.8134   2.3490   0.9497 -0.6305000 1.250000 
1 1 1   64   14    0 o   2.8680   0.6891   2.2610   1.0140   3.4740   0.9339 -1.213000 1.378000 
1 1 1   64   14    1 o   3.3540   0.8141   4.4410   1.1930   2.2670   1.1080 2.174000 1.628000 
1 1 1   65    1    0 o   2.4390   0.6411   2.5140   0.9173   2.3650   0.8959 0.1488000 1.282000 
1 1 1   65    1    1 o   3.1120   0.5848   1.9410   0.8467   4.2830   0.8069 -2.342000 1.170000 
1 1 1   65    1    2 o   2.6360   0.6975   2.4740   0.9702   2.7980   1.0020 -0.3241000 1.395000 
1 1 1   65    1    3 o   2.5030   0.6929   2.7600   1.0040   2.2450   0.9557 0.5151000 1.386000 
1 1 1   65    1    4 o   2.5670   0.7055   2.8630   1.0230   2.2700   0.9718 0.5933000 1.411000 
1 1 1   65    1    5 o   4.4170   0.6567   5.1310   0.8035   3.7040   1.0390 1.427000 1.313000 
1 1 1   65    1    6 o   2.4050   0.7493   2.3860   1.0520   2.4240   1.0670 -0.3807000E-01 1.499000 
1 1 1   65    1    7 o   2.4420   0.7298   2.2210   0.9957   2.6630   1.0670 -0.4424000 1.460000 
1 1 1   65    1    8 o   2.9390   0.7304   2.0220   0.9408   3.8570   1.1180 -1.835000 1.461000 
1 1 1   65    1    9 o   2.0160   0.6656   1.9620   0.9290   2.0700   0.9534 -0.1075000 1.331000 
1 1 1   65    3    0 o   3.2060   0.7424   2.6130   1.0590   3.8000   1.0400 -1.188000 1.485000 
1 1 1   65    3    1 o   2.0570   0.6278   1.9660   0.8557   2.1470   0.9188 -0.1807000 1.256000 
1 1 1   65    3    2 o   2.5880   0.6913   2.7930   0.9833   2.3830   0.9719 0.4100000 1.383000 
1 1 1   65    3    3 o   2.5880   0.7034   2.3900   0.9636   2.7860   1.0250 -0.3962000 1.407000 
1 1 1   65    3    4 o   3.6050   0.7009   4.2540   0.9357   2.9550   1.0440 1.298000 1.402000 
1 1 1   65    3    5 o   2.5120   0.7401   2.7180   1.1100   2.3050   0.9794 0.4129000 1.480000 
1 1 1   65    3    6 o   1.8100   0.6054   1.9360   0.8977   1.6850   0.8125 0.2509000 1.211000 
1 1 1   65    3    7 o   2.3170   0.6891   2.9870   1.1090   1.6470   0.8184 1.340000 1.378000 
1 1 1   65    3    8 o   2.0540   0.6664   2.0600   0.9469   2.0480   0.9379 0.1233000E-01 1.333000 
1 1 1   65    3    9 f   2.1880   0.7236   2.2170   1.0340   2.1600   1.0130 0.5651000E-01 1.447000 
1 1 1   65    5    0 o   2.4740   0.7504   3.0160   1.2340   1.9320   0.8535 1.084000 1.501000 
1 1 1   65    5    1 o   2.6440   0.6928   3.0080   1.0200   2.2800   0.9372 0.7282000 1.386000 
1 1 1   65    5    2 o   2.2550   0.6602   2.7840   1.0440   1.7260   0.8089 1.058000 1.320000 
1 1 1   65    5    3 f   2.1830   0.7128   2.6510   1.1720   1.7160   0.8114 0.9351000 1.426000 
1 1 1   65    5    4 o   3.1440   0.7420   2.6210   1.1020   3.6670   0.9942 -1.046000 1.484000 
1 1 1   65    5    5 o   2.8370   0.7527   2.5170   1.0850   3.1570   1.0440 -0.6394000 1.505000 
1 1 1   65    5    6 o   2.3350   0.6890   1.9580   0.9079   2.7130   1.0360 -0.7550000 1.378000 
1 1 1   65    5    7 o   2.0270   0.6666   1.4940   0.7454   2.5590   1.1050 -1.065000 1.333000 
1 1 1   65    5    8 o   2.2000   0.7195   2.4610   1.0980   1.9380   0.9297 0.5224000 1.439000 
1 1 1   65    5    9 o   2.0940   1.0450   2.0940   1.0450  ?   ?       ?      ? 
1 1 1   65    7    0 o   2.3560   0.6960   2.2390   1.0750   2.4720   0.8840 -0.2326000 1.392000 
1 1 1   65    7    1 o   3.0050   0.6948   2.3760   1.0450   3.6350   0.9162 -1.260000 1.390000 
1 1 1   65    7    2 o   2.4300   0.7300   2.6610   1.1250   2.1990   0.9307 0.4616000 1.460000 
1 1 1   65    7    3 o   1.9340   0.6299   1.7870   0.8606   2.0820   0.9199 -0.2951000 1.260000 
1 1 1   65    7    4 o   1.8890   0.6274   2.1080   0.9659   1.6710   0.8010 0.4377000 1.255000 
1 1 1   65    7    5 o   2.9560   0.7652   2.6390   1.1060   3.2740   1.0580 -0.6351000 1.530000 
1 1 1   65    7    6 o   2.2550   0.7221   2.6050   1.1130   1.9050   0.9208 0.6997000 1.444000 
1 1 1   65    7    7 o   2.8040   0.8254   2.6840   1.1540   2.9240   1.1810 -0.2404000 1.651000 
1 1 1   65    7    8 o   2.1750   1.0810   2.1750   1.0810  ?   ?       ?      ? 
1 1 1   65    9    0 f   2.0430   0.6135   1.7880   0.8444   2.2980   0.8903 -0.5100000 1.227000 
1 1 1   65    9    1 o   5.0610   0.5444   5.0140   0.9046   5.1070   0.6060 -0.9231000E-01 1.089000 
1 1 1   65    9    2 o   3.3740   0.7263   4.0370   1.0990   2.7110   0.9503 1.325000 1.453000 
1 1 1   65    9    3 o   3.4910   0.7505   3.6580   1.1570   3.3230   0.9565 0.3351000 1.501000 
1 1 1   65    9    4 o   2.4680   0.7187   2.2910   1.0240   2.6440   1.0090 -0.3530000 1.437000 
1 1 1   65    9    5 o   1.8390   0.6245   1.9490   0.9318   1.7280   0.8319 0.2214000 1.249000 
1 1 1   65    9    6 o   2.2750   0.7512   2.2680   1.0330   2.2830   1.0910 -0.1478000E-01 1.502000 
1 1 1   65   11    0 o   2.0130   0.6120   1.8650   0.8420   2.1600   0.8884 -0.2943000 1.224000 
1 1 1   65   11    1 o   2.7580   0.6721   3.2330   0.9837   2.2830   0.9160 0.9497000 1.344000 
1 1 1   65   11    2 o   2.2190   0.6505   2.5630   0.9942   1.8740   0.8390 0.6884000 1.301000 
1 1 1   65   11    3 o   1.9010   0.6105   1.8200   0.8410   1.9820   0.8851 -0.1626000 1.221000 
1 1 1   65   11    4 o   1.8310   0.5961   1.8230   0.8504   1.8390   0.8354 -0.1677000E-01 1.192000 
1 1 1   65   13    0 o   2.4860   0.6663   2.1300   0.9048   2.8430   0.9783 -0.7125000 1.333000 
1 1 1   65   13    1 o   2.2100   0.7542   1.7340   0.8459   2.6860   1.2490 -0.9520000 1.508000 
1 1 1   66    0    0 o   1.0740   0.7492   1.0740   0.7492   1.0740   0.7492 0.000000 0.000000 
1 1 1   66    0    1 o   1.5670   0.9726   1.5670   0.9726   1.5670   0.9726 0.000000 0.000000 
1 1 1   66    0    2 o   3.3400   1.1840   3.3400   1.1840   3.3400   1.1840 0.000000 0.000000 
1 1 1   66    0    3 o   1.9990   1.1530   1.9990   1.1530   1.9990   1.1530 0.000000 0.000000 
1 1 1   66    0    4 o   1.6480   1.0550   1.6480   1.0550   1.6480   1.0550 0.000000 0.000000 
1 1 1   66    0    5 o   1.6390   1.0580   1.6390   1.0580   1.6390   1.0580 0.000000 0.000000 
1 1 1   66    0    6 o   1.3570   0.9540   1.3570   0.9540   1.3570   0.9540 0.000000 0.000000 
1 1 1   66    0    7 o   1.6220   1.0710   1.6220   1.0710   1.6220   1.0710 0.000000 0.000000 
1 1 1   66    0    8 o   2.5060   1.3230   2.5060   1.3230   2.5060   1.3230 0.000000 0.000000 
1 1 1   66    0    9 o   1.8130   1.2840   1.8130   1.2840   1.8130   1.2840 0.000000 0.000000 
1 1 1   66    2    0 f   1.7180   0.5566   1.6120   0.7507   1.8240   0.8221 -0.2127000 1.113000 
1 1 1   66    2    1 o   2.4500   0.6052   3.2740   0.9329   1.6270   0.7713 1.646000 1.210000 
1 1 1   66    2    2 o   3.2220   0.7083   3.0340   0.9951   3.4110   1.0080 -0.3773000 1.417000 
1 1 1   66    2    3 o   2.2050   0.6655   1.8570   0.8536   2.5530   1.0210 -0.6961000 1.331000 
1 1 1   66    2    4 o   2.6420   0.7208   2.8060   1.0290   2.4780   1.0100 0.3287000 1.442000 
1 1 1   66    2    5 o   2.8380   0.7566   3.4340   1.1680   2.2410   0.9615 1.193000 1.513000 
1 1 1   66    2    6 o   1.7920   0.6087   1.8070   0.8552   1.7780   0.8665 0.2929000E-01 1.217000 
1 1 1   66    2    7 o   2.3660   0.6678   1.5280   0.7566   3.2040   1.1010 -1.676000 1.336000 
1 1 1   66    2    8 o   1.9310   0.6401   1.9430   0.9117   1.9190   0.8989 0.2446000E-01 1.280000 
1 1 1   66    4    0 o   2.2750   0.7256   2.6670   1.1770   1.8820   0.8490 0.7855000 1.451000 
1 1 1   66    4    1 f   2.8400   0.7085   2.5970   1.0090   3.0840   0.9951 -0.4875000 1.417000 
1 1 1   66    4    2 o   2.3300   0.6792   2.1910   0.9539   2.4690   0.9672 -0.2785000 1.358000 
1 1 1   66    4    3 o   2.4440   0.6819   2.0560   0.9113   2.8320   1.0150 -0.7756000 1.364000 
1 1 1   66    4    4 o   2.8390   0.7340   3.5960   1.1440   2.0820   0.9201 1.514000 1.468000 
1 1 1   66    4    5 o   2.1380   0.6663   2.0520   0.9271   2.2230   0.9574 -0.1713000 1.333000 
1 1 1   66    4    6 o   1.8980   0.6390   1.6870   0.8148   2.1080   0.9847 -0.4217000 1.278000 
1 1 1   66    4    7 o   2.5400   0.7411   2.5370   1.0550   2.5430   1.0410 -0.6061000E-02 1.482000 
1 1 1   66    4    8 o   1.7190   0.5862   1.4160   0.7116   2.0220   0.9318 -0.6060000 1.172000 
1 1 1   66    6    0 o   3.2300   0.7596   2.7400   1.2100   3.7200   0.9192 -0.9792000 1.519000 
1 1 1   66    6    1 o   3.4220   0.6344   4.5510   0.8976   2.2930   0.8966 2.258000 1.269000 
1 1 1   66    6    2 o   2.2510   0.6940   2.8150   1.1380   1.6860   0.7945 1.129000 1.388000 
1 1 1   66    6    3 o   2.5300   0.7318   2.6450   1.0870   2.4160   0.9799 0.2293000 1.464000 
1 1 1   66    6    4 o   2.5620   0.7044   3.4430   1.1560   1.6820   0.8052 1.761000 1.409000 
1 1 1   66    6    5 o   2.6500   0.7455   2.2850   1.0370   3.0140   1.0710 -0.7285000 1.491000 
1 1 1   66    6    6 o   2.0870   0.6919   2.4460   1.0910   1.7270   0.8516 0.7193000 1.384000 
1 1 1   66    6    7 o   1.7630   0.6132   1.6980   0.8439   1.8280   0.8899 -0.1302000 1.226000 
1 1 1   66    8    0 o   3.0500   0.7268   2.8050   1.1120   3.2950   0.9359 -0.4899000 1.454000 
1 1 1   66    8    1 o   3.3730   0.7205   3.8470   1.0510   2.8990   0.9862 0.9478000 1.441000 
1 1 1   66    8    2 o   3.0860   0.6545   4.3270   1.0130   1.8460   0.8285 2.481000 1.309000 
1 1 1   66    8    3 o   2.3570   0.7051   2.1820   0.9891   2.5310   1.0050 -0.3498000 1.410000 
1 1 1   66    8    4 o   3.3340   0.7766   3.1580   1.1660   3.5100   1.0260 -0.3514000 1.553000 
1 1 1   66    8    5 o   3.2530   0.7102   2.3760   1.0560   4.1310   0.9500 -1.755000 1.420000 
1 1 1   66    8    6 o   2.2220   0.7689   2.1060   1.0470   2.3370   1.1260 -0.2309000 1.538000 
1 1 1   66   10    0 o   4.3730   0.6171   4.4250   0.9795   4.3200   0.7508 0.1044000 1.234000 
1 1 1   66   10    1 o   2.7940   0.6911   2.3760   1.0160   3.2120   0.9369 -0.8361000 1.382000 
1 1 1   66   10    2 o   2.0970   0.6448   1.9590   0.9141   2.2360   0.9097 -0.2775000 1.290000 
1 1 1   66   10    3 o   1.9590   0.8633  ?   ?    1.9590   0.8633      ?      ? 
1 1 1   66   10    4 o   1.9730   0.6728   1.9240   0.9688   2.0220   0.9338 -0.9836000E-01 1.346000 
1 1 1   66   12    0 f   2.8060   0.6704   2.9110   0.9737   2.7010   0.9218 0.2094000 1.341000 
1 1 1   66   12    1 o   2.1770   0.7425   1.5640   0.7782   2.7910   1.2650 -1.227000 1.485000 
1 1 1   67    1    0 o   2.2460   0.6281   2.1090   0.8732   2.3830   0.9032 -0.2743000 1.256000 
1 1 1   67    1    1 o   2.4190   0.6633   2.6300   0.9536   2.2080   0.9221 0.4223000 1.327000 
1 1 1   67    1    2 o   3.0770   0.7102   2.8080   1.0070   3.3460   1.0020 -0.5383000 1.420000 
1 1 1   67    1    3 o   1.7980   0.5934   1.8980   0.8661   1.6980   0.8114 0.2002000 1.187000 
1 1 1   67    1    4 o   2.2900   0.6907   2.0950   0.9265   2.4850   1.0250 -0.3897000 1.381000 
1 1 1   67    1    5 o   1.9690   0.6458   1.8770   0.8965   2.0600   0.9298 -0.1835000 1.292000 
1 1 1   67    1    6 o   1.9330   0.6444   1.4260   0.7135   2.4410   1.0730 -1.015000 1.289000 
1 1 1   67    1    7 o   1.9290   0.6384   2.1340   0.9685   1.7240   0.8320 0.4097000 1.277000 
1 1 1   67    3    0 o   2.4720   0.6881   2.3640   1.0170   2.5800   0.9271 -0.2160000 1.376000 
1 1 1   67    3    1 o   4.0610   0.6052   4.4630   0.7645   3.6590   0.9384 0.8035000 1.210000 
1 1 1   67    3    2 o   2.7380   0.7005   2.4400   0.9553   3.0350   1.0250 -0.5954000 1.401000 
1 1 1   67    3    3 o   3.1780   0.7286   3.1050   1.0240   3.2520   1.0370 -0.1471000 1.457000 
1 1 1   67    3    4 o   2.8340   0.7551   2.9620   1.1110   2.7070   1.0230 0.2551000 1.510000 
1 1 1   67    3    5 o   1.8490   0.6097   1.9190   0.8865   1.7780   0.8372 0.1407000 1.219000 
1 1 1   67    3    6 o   1.5580   0.5453   1.5770   0.7727   1.5380   0.7696 0.3870000E-01 1.091000 
1 1 1   67    3    7 o   1.9800   0.6451   2.1490   0.9604   1.8120   0.8615 0.3375000 1.290000 
1 1 1   67    5    0 f   2.0070   0.6709   2.3340   1.0850   1.6790   0.7900 0.6556000 1.342000 
1 1 1   67    5    1 o   1.7940   0.5891   1.8130   0.8470   1.7750   0.8191 0.3776000E-01 1.178000 
1 1 1   67    5    2 o   2.7830   0.6896   2.2370   0.9606   3.3290   0.9896 -1.092000 1.379000 
1 1 1   67    5    3 o   2.1880   0.6987   2.1090   1.0170   2.2660   0.9581 -0.1573000 1.397000 
1 1 1   67    5    4 o   2.0540   0.6518   1.7930   0.8700   2.3140   0.9709 -0.5213000 1.304000 
1 1 1   67    5    5 o   2.8010   0.7499   2.7620   1.0790   2.8390   1.0410 -0.7693000E-01 1.500000 
1 1 1   67    5    6 o   1.9240   0.6446   1.6390   0.8003   2.2100   1.0110 -0.5715000 1.289000 
1 1 1   67    7    0 o   4.6500   0.7316   3.7510   1.3680   5.5490   0.5177 -1.798000 1.463000 
1 1 1   67    7    1 o   3.1510   0.6899   2.4150   1.0590   3.8870   0.8842 -1.473000 1.380000 
1 1 1   67    7    2 o   2.3110   0.6882   2.6670   1.0600   1.9550   0.8778 0.7117000 1.376000 
1 1 1   67    7    3 o   2.3730   0.7059   2.2170   0.9985   2.5290   0.9980 -0.3121000 1.412000 
1 1 1   67    7    4 o   2.0680   0.6652   2.3660   1.0390   1.7690   0.8313 0.5972000 1.330000 
1 1 1   67    7    5 o   1.9680   0.6428   1.8550   0.8941   2.0800   0.9237 -0.2251000 1.286000 
1 1 1   67    9    0 o   4.2720   0.6174   3.7550   1.0420   4.7880   0.6628 -1.033000 1.235000 
1 1 1   67    9    1 o   3.6760   0.6870   3.7020   1.0770   3.6510   0.8534 0.5045000E-01 1.374000 
1 1 1   67    9    2 o   3.1170   0.7178   3.7000   1.0900   2.5350   0.9347 1.165000 1.436000 
1 1 1   67    9    3 o   2.6650   0.6277   1.7480   0.8463   3.5820   0.9272 -1.834000 1.255000 
1 1 1   67   11    0 o   2.0340   0.5916   1.5460   0.7421   2.5210   0.9215 -0.9748000 1.183000 
1 1 1   67   11    1 f   2.6880   1.2580   2.6880   1.2580  ?   ?       ?      ? 
1 1 1   68    0    0 o   1.6050   0.9743   1.6050   0.9743   1.6050   0.9743 0.000000 0.000000 
1 1 1   68    0    1 o   2.4800   1.1490   2.4800   1.1490   2.4800   1.1490 0.000000 0.000000 
1 1 1   68    0    2 o   1.9810   1.1400   1.9810   1.1400   1.9810   1.1400 0.000000 0.000000 
1 1 1   68    0    3 o   1.4030   0.9400   1.4030   0.9400   1.4030   0.9400 0.000000 0.000000 
1 1 1   68    0    4 o   1.1730   0.8267   1.1730   0.8267   1.1730   0.8267 0.000000 0.000000 
1 1 1   68    0    5 f   2.1980   1.2970   2.1980   1.2970   2.1980   1.2970 0.000000 0.000000 
1 1 1   68    0    6 o   2.6390   1.4090   2.6390   1.4090   2.6390   1.4090 0.000000 0.000000 
1 1 1   68    2    0 o   3.7920   0.5852   4.5310   0.7124   3.0540   0.9287 1.476000 1.170000 
1 1 1   68    2    1 o   3.6710   0.6009   2.5040   0.9410   4.8380   0.7477 -2.335000 1.202000 
1 1 1   68    2    2 o   2.4810   0.6769   2.7600   0.9751   2.2020   0.9393 0.5585000 1.354000 
1 1 1   68    2    3 o   2.1190   0.6553   1.8910   0.8647   2.3470   0.9849 -0.4553000 1.311000 
1 1 1   68    2    4 o   2.3160   0.6883   2.1870   0.9400   2.4460   1.0060 -0.2589000 1.377000 
1 1 1   68    2    5 o   2.4800   0.7260   2.2590   1.0130   2.7000   1.0400 -0.4410000 1.452000 
1 1 1   68    2    6 o   1.9470   0.6503   1.5650   0.7666   2.3290   1.0510 -0.7647000 1.301000 
1 1 1   68    4    0 o   3.8190   0.7720   3.7160   1.3430   3.9230   0.7625 -0.2075000 1.544000 
1 1 1   68    4    1 o   5.6110   0.5093   5.1800   0.8144   6.0410   0.6118 -0.8610000 1.019000 
1 1 1   68    4    2 o   2.1780   0.6469   1.8920   0.8579   2.4650   0.9684 -0.5729000 1.294000 
1 1 1   68    4    3 o   2.0410   0.6574   2.3590   1.0330   1.7230   0.8132 0.6365000 1.315000 
1 1 1   68    4    4 o   1.5400   0.5343   1.4250   0.7172   1.6540   0.7921 -0.2290000 1.069000 
1 1 1   68    4    5 o   2.0870   0.6543   1.8460   0.8701   2.3270   0.9774 -0.4809000 1.309000 
1 1 1   68    6    0 o   2.8020   0.7463   2.7350   1.2020   2.8690   0.8848 -0.1343000 1.493000 
1 1 1   68    6    1 o   2.0600   0.6298   2.5050   1.0080   1.6160   0.7555 0.8887000 1.260000 
1 1 1   68    6    2 o   1.8700   0.6279   2.2540   1.0260   1.4860   0.7237 0.7681000 1.256000 
1 1 1   68    6    3 o   2.0260   0.6549   2.2970   1.0200   1.7540   0.8215 0.5431000 1.310000 
1 1 1   68    6    4 o   1.9460   0.6315   1.7410   0.8459   2.1510   0.9378 -0.4109000 1.263000 
1 1 1   68    8    0 o   2.1110   0.6180   1.6170   0.7965   2.6040   0.9452 -0.9873000 1.236000 
1 1 1   68    8    1 o   2.4860   0.6318   1.8510   0.8660   3.1220   0.9201 -1.271000 1.264000 
1 1 1   68    8    2 o   1.8740   0.6091   2.2710   0.9898   1.4760   0.7102 0.7956000 1.218000 
1 1 1   68    8    3 o   2.2070   0.7448   2.4990   1.1830   1.9160   0.9053 0.5837000 1.490000 
1 1 1   68   10    0 o   2.0090   0.6379   1.7990   0.8617   2.2180   0.9408 -0.4184000 1.276000 
1 1 1   69    1    0 o   1.5040   0.5068   1.4580   0.7008   1.5500   0.7323 -0.9201000E-01 1.014000 
1 1 1   69    1    1 o   2.5810   0.6733   2.2310   0.9124   2.9320   0.9905 -0.7017000 1.347000 
1 1 1   69    1    2 o   3.2300   0.7045   2.8690   1.0080   3.5910   0.9843 -0.7224000 1.409000 
1 1 1   69    1    3 o   2.1170   0.6421   2.5150   0.9938   1.7180   0.8133 0.7972000 1.284000 
1 1 1   69    1    4 o   2.3460   0.6848   2.6540   1.0160   2.0390   0.9185 0.6150000 1.370000 
1 1 1   69    1    5 o   1.9070   0.6323   1.6990   0.8354   2.1150   0.9495 -0.4155000 1.265000 
1 1 1   69    3    0 o   2.7330   0.6993   3.5240   1.1080   1.9420   0.8531 1.581000 1.399000 
1 1 1   69    3    1 f   3.0410   0.5849   1.7320   0.8056   4.3500   0.8483 -2.618000 1.170000 
1 1 1   69    3    2 o   3.1380   0.6999   2.6810   0.9806   3.5960   0.9991 -0.9145000 1.400000 
1 1 1   69    3    3 o   2.1880   0.6683   2.3290   0.9731   2.0470   0.9163 0.2826000 1.337000 
1 1 1   69    3    4 o   2.0230   0.6516   1.9390   0.9129   2.1080   0.9300 -0.1691000 1.303000 
1 1 1   69    5    0 o   2.0410   0.6301   1.8350   0.9065   2.2470   0.8753 -0.4120000 1.260000 
1 1 1   69    5    1 o   2.0270   0.6279   2.0310   0.9138   2.0240   0.8614 0.7031000E-02 1.256000 
1 1 1   69    5    2 o   1.9670   0.6441   2.0680   0.9667   1.8650   0.8515 0.2034000 1.288000 
1 1 1   69    5    3 o   2.0210   0.6658   2.0130   0.9796   2.0290   0.9021 -0.1628000E-01 1.332000 
1 1 1   69    5    4 o   3.3140   1.4020   3.3140   1.4020  ?   ?       ?      ? 
1 1 1   69    7    0 o   2.3470   0.8794  ?   ?    2.3470   0.8794      ?      ? 
1 1 1   69    7    1 o   2.0880   0.6601   2.1030   0.9759   2.0740   0.8891 0.2973000E-01 1.320000 
1 1 1   69    7    2 o   2.1740   0.6488   1.9660   0.9159   2.3810   0.9192 -0.4154000 1.298000 
1 1 1   70    0    0 o   1.1930   0.8135   1.1930   0.8135   1.1930   0.8135 0.000000 0.000000 
1 1 1   70    0    1 o   2.6780   1.1610   2.6780   1.1610   2.6780   1.1610 0.000000 0.000000 
1 1 1   70    0    2 o   1.8670   1.1080   1.8670   1.1080   1.8670   1.1080 0.000000 0.000000 
1 1 1   70    0    3 o   1.6290   1.0370   1.6290   1.0370   1.6290   1.0370 0.000000 0.000000 
1 1 1   70    2    0 o   3.4310   0.6250   3.3420   0.9122   3.5200   0.8546 -0.1785000 1.250000 
1 1 1   70    2    1 o   2.7660   0.6783   2.3950   0.9343   3.1370   0.9836 -0.7419000 1.357000 
1 1 1   70    2    2 o   2.4490   0.6811   2.3200   0.9411   2.5780   0.9849 -0.2588000 1.362000 
1 1 1   70    2    3 o   4.5440   0.6345   5.5070   0.7018   3.5810   1.0570 1.926000 1.269000 
1 1 1   70    4    0 o   2.1060   0.6534   2.5310   1.0580   1.6810   0.7666 0.8501000 1.307000 
1 1 1   70    4    1 o   2.2890   0.6595   1.9340   0.8612   2.6430   0.9991 -0.7094000 1.319000 
1 1 1   70    4    2 o   1.6220   0.5491   1.6620   0.7876   1.5820   0.7654 0.8001000E-01 1.098000 
1 1 1   70    6    0 o   2.2600   0.6656   2.0460   0.9910   2.4750   0.8887 -0.4291000 1.331000 
1 1 1   70    6    1 o   2.3090   0.6847   2.1940   1.0100   2.4240   0.9247 -0.2303000 1.369000 
1 1 1   71    1    0 o   2.0990   0.6175   2.1020   0.8725   2.0960   0.8741 0.5826000E-02 1.235000 
1 1 1   71    1    1 o   2.0670   0.6213   2.2210   0.9074   1.9130   0.8490 0.3075000 1.243000 
1 1 1   71    1    2 o   2.6080   0.8323   2.7250   1.2110   2.4900   1.1420 0.2351000 1.665000 
1 1 1   71    3    0 o   1.9160   0.5774   1.6610   0.7737   2.1710   0.8574 -0.5091000 1.155000 
1 1 1   71    3    1 o   1.7790   0.5797   1.6030   0.7652   1.9540   0.8711 -0.3517000 1.159000 
1 1 1   71    5    0 o   2.4480   1.1310   2.4480   1.1310  ?   ?       ?      ? 
#END OF REFLECTIONS
